Detailed results of CTR107_NMR_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1106
# INTRA-RESIDUE RESTRAINTS (I=J) : 211
# SEQUENTIAL RESTRAINTS (I-J)=1 : 406
# BACKBONE-BACKBONE : 131
# BACKBONE-SIDE CHAIN : 7
# SIDE CHAIN-SIDE CHAIN : 268
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 105
# BACKBONE-BACKBONE : 15
# BACKBONE-SIDE CHAIN : 35
# SIDE CHAIN-SIDE CHAIN : 55
# LONG RANGE RESTRAINTS (I-J)>=5 : 384
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1106
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 0.0 0.0 0.0 0.0 0.0
ASP 2 0 3.5 3.5 0.0 0.0 0.0
PHE 3 0 4.0 4.0 0.0 0.0 0.0
GLU 4 3 1.0 1.0 0.0 0.0 0.0
CYS 5 0 0.5 0.5 0.0 0.0 0.0
GLN 6 3 2.5 2.5 0.0 0.0 0.0
PHE 7 3 8.0 3.5 0.0 4.5 0.0
VAL 8 1 4.5 4.0 0.0 0.5 0.0
CYS 9 0 7.0 5.0 0.0 2.0 0.0
GLU 10 2 7.0 4.5 0.0 2.5 0.0
LEU 11 4 14.0 6.5 0.0 7.5 0.0
LYS 12 10 11.5 7.5 2.5 1.5 0.0
GLU 13 4 8.0 6.5 0.0 1.5 0.0
LEU 14 3 14.0 6.0 2.5 5.5 0.0
ALA 15 0 3.0 3.0 0.0 0.0 0.0
PRO 16 0 2.5 1.0 0.0 1.5 0.0
VAL 17 0 9.0 4.0 0.0 5.0 0.0
PRO 18 0 10.5 4.5 0.0 6.0 0.0
ALA 19 0 6.5 2.0 0.0 4.5 0.0
LEU 20 1 16.5 3.0 0.0 13.5 0.0
LEU 21 0 4.0 2.5 0.0 1.5 0.0
ILE 22 1 10.0 1.5 1.5 7.0 0.0
ARG 23 4 4.5 4.5 0.0 0.0 0.0
THR 24 0 8.5 4.5 2.0 2.0 0.0
GLN 25 2 7.5 4.5 0.0 3.0 0.0
THR 26 0 9.0 4.5 0.5 4.0 0.0
ALA 27 0 4.0 2.0 2.0 0.0 0.0
MET 28 2 1.5 1.0 0.5 0.0 0.0
SER 29 0 1.5 1.0 0.5 0.0 0.0
GLU 30 2 4.0 2.0 2.0 0.0 0.0
LEU 31 2 9.5 3.5 4.5 1.5 0.0
GLY 32 0 2.5 2.5 0.0 0.0 0.0
SER 33 0 4.0 1.0 3.0 0.0 0.0
LEU 34 5 8.5 3.5 2.5 2.5 0.0
PHE 35 0 10.5 5.0 2.5 3.0 0.0
GLU 36 5 8.0 5.0 3.0 0.0 0.0
ALA 37 0 4.5 3.5 1.0 0.0 0.0
GLY 38 0 1.0 1.0 0.0 0.0 0.0
TYR 39 0 5.0 2.5 1.5 1.0 0.0
HIS 40 3 4.0 4.0 0.0 0.0 0.0
ASP 41 0 2.0 2.0 0.0 0.0 0.0
ILE 42 0 3.0 0.0 1.0 2.0 0.0
LEU 43 0 0.0 0.0 0.0 0.0 0.0
GLN 44 0 1.0 0.5 0.5 0.0 0.0
LEU 45 2 12.5 3.0 1.0 8.5 0.0
LEU 46 3 14.5 5.5 0.5 8.5 0.0
ALA 47 0 4.5 3.5 1.0 0.0 0.0
GLY 48 0 1.0 1.0 0.0 0.0 0.0
GLN 49 5 11.5 1.0 2.0 8.5 0.0
GLY 50 0 1.0 1.0 0.0 0.0 0.0
LYS 51 15 13.0 5.0 1.0 7.0 0.0
SER 52 3 6.0 4.5 0.0 1.5 0.0
PRO 53 0 10.0 3.5 2.0 4.5 0.0
SER 54 0 5.0 4.0 0.0 1.0 0.0
GLY 55 0 2.5 0.5 2.0 0.0 0.0
PRO 56 0 0.0 0.0 0.0 0.0 0.0
PRO 57 0 0.5 0.5 0.0 0.0 0.0
PHE 58 0 7.5 2.5 0.0 5.0 0.0
ALA 59 0 4.5 2.5 0.0 2.0 0.0
ARG 60 0 3.0 1.5 0.0 1.5 0.0
TYR 61 0 8.0 1.5 0.0 6.5 0.0
PHE 62 0 0.5 0.5 0.0 0.0 0.0
GLY 63 0 0.0 0.0 0.0 0.0 0.0
MET 64 5 0.5 0.0 0.0 0.5 0.0
SER 65 0 0.0 0.0 0.0 0.0 0.0
ALA 66 0 0.0 0.0 0.0 0.0 0.0
GLY 67 0 0.5 0.5 0.0 0.0 0.0
THR 68 1 4.0 2.0 0.0 2.0 0.0
PHE 69 0 7.5 4.5 1.0 2.0 0.0
GLU 70 2 7.0 6.0 0.0 1.0 0.0
VAL 71 0 12.5 5.0 1.0 6.5 0.0
GLU 72 0 2.5 2.0 0.0 0.5 0.0
PHE 73 0 1.0 0.0 0.0 1.0 0.0
GLY 74 0 0.0 0.0 0.0 0.0 0.0
PHE 75 0 6.0 0.0 0.0 6.0 0.0
PRO 76 0 5.5 2.5 0.0 3.0 0.0
VAL 77 0 16.0 4.5 2.0 9.5 0.0
GLU 78 2 6.0 5.0 1.0 0.0 0.0
GLY 79 0 4.5 3.0 1.5 0.0 0.0
GLY 80 0 0.5 0.5 0.0 0.0 0.0
VAL 81 1 20.0 3.0 3.5 13.5 0.0
GLU 82 3 11.5 6.5 0.0 5.0 0.0
GLY 83 0 14.0 4.5 0.0 9.5 0.0
SER 84 0 7.5 1.0 2.0 4.5 0.0
GLY 85 0 0.5 0.5 0.0 0.0 0.0
ARG 86 0 2.0 0.5 0.0 1.5 0.0
VAL 87 1 11.5 3.5 2.0 6.0 0.0
VAL 88 0 7.5 4.5 0.0 3.0 0.0
THR 89 1 8.0 3.0 0.0 5.0 0.0
GLY 90 0 4.0 3.0 0.0 1.0 0.0
LEU 91 1 11.5 5.0 0.0 6.5 0.0
THR 92 0 5.0 3.5 0.0 1.5 0.0
PRO 93 0 2.5 2.0 0.0 0.5 0.0
SER 94 0 6.0 4.0 0.0 2.0 0.0
GLY 95 0 4.5 3.5 0.0 1.0 0.0
LYS 96 13 9.0 6.0 0.0 3.0 0.0
ALA 97 0 11.0 5.0 0.5 5.5 0.0
ALA 98 0 8.0 1.0 0.0 7.0 0.0
SER 99 0 4.0 1.0 0.5 2.5 0.0
SER 100 0 8.5 1.0 0.0 7.5 0.0
LEU 101 3 4.0 2.0 0.0 2.0 0.0
TYR 102 0 9.0 2.5 0.0 6.5 0.0
ILE 103 1 4.5 2.0 0.0 2.5 0.0
GLY 104 0 1.5 1.0 0.0 0.5 0.0
PRO 105 0 0.0 0.0 0.0 0.0 0.0
TYR 106 0 1.0 0.0 0.0 1.0 0.0
GLY 107 0 0.0 0.0 0.0 0.0 0.0
GLU 108 2 2.0 2.0 0.0 0.0 0.0
ILE 109 1 13.5 3.5 6.0 4.0 0.0
GLU 110 3 5.5 4.0 1.5 0.0 0.0
ALA 111 0 4.5 3.0 1.0 0.5 0.0
VAL 112 1 14.0 1.5 3.5 9.0 0.0
TYR 113 2 9.5 3.0 5.0 1.5 0.0
ASP 114 3 4.5 4.0 0.5 0.0 0.0
ALA 115 0 5.5 2.5 1.5 1.5 0.0
LEU 116 4 11.0 1.5 1.5 8.0 0.0
MET 117 3 3.0 3.0 0.0 0.0 0.0
LYS 118 6 6.0 4.0 2.0 0.0 0.0
TRP 119 1 14.0 4.5 3.0 6.5 0.0
VAL 120 1 11.0 4.5 1.0 5.5 0.0
ASP 121 2 6.0 4.0 2.0 0.0 0.0
ASP 122 3 4.5 4.0 0.5 0.0 0.0
ASN 123 6 4.0 2.5 1.5 0.0 0.0
GLY 124 0 1.0 0.5 0.5 0.0 0.0
PHE 125 2 9.5 1.5 0.0 8.0 0.0
ASP 126 0 4.0 3.0 0.0 1.0 0.0
LEU 127 1 5.5 4.0 1.0 0.5 0.0
SER 128 0 3.0 3.0 0.0 0.0 0.0
GLY 129 0 2.0 1.0 1.0 0.0 0.0
GLU 130 2 0.5 0.5 0.0 0.0 0.0
ALA 131 0 5.5 0.5 0.0 5.0 0.0
TYR 132 0 6.0 1.5 0.5 4.0 0.0
GLU 133 2 4.0 1.5 0.0 2.5 0.0
ILE 134 1 6.5 2.0 0.5 4.0 0.0
TYR 135 1 4.5 1.5 0.0 3.0 0.0
LEU 136 1 2.5 1.5 0.0 1.0 0.0
ASP 137 0 4.5 2.5 0.0 2.0 0.0
ASN 138 3 1.5 1.0 0.5 0.0 0.0
PRO 139 0 3.0 0.5 0.0 2.5 0.0
ALA 140 0 3.5 1.5 1.5 0.5 0.0
GLU 141 5 3.5 3.0 0.5 0.0 0.0
THR 142 1 8.5 3.5 2.0 3.0 0.0
ALA 143 0 4.0 1.5 2.5 0.0 0.0
PRO 144 0 4.5 3.5 1.0 0.0 0.0
ASP 145 3 5.0 4.0 0.5 0.5 0.0
GLN 146 5 4.5 1.5 2.0 1.0 0.0
LEU 147 4 10.5 2.5 1.5 6.5 0.0
ARG 148 0 4.0 2.0 0.0 2.0 0.0
THR 149 0 7.0 1.5 0.0 5.5 0.0
ARG 150 2 4.0 2.5 0.0 1.5 0.0
VAL 151 1 8.5 2.5 0.0 6.0 0.0
SER 152 0 5.0 1.5 0.0 3.5 0.0
LEU 153 3 7.0 2.0 0.5 4.5 0.0
MET 154 6 4.0 2.5 0.0 1.5 0.0
LEU 155 1 12.5 3.5 0.5 8.5 0.0
HIS 156 3 3.5 3.5 0.0 0.0 0.0
GLU 157 2 2.0 2.0 0.0 0.0 0.0
SER 158 0 1.0 1.0 0.0 0.0 0.0
LEU 159 1 1.5 0.5 0.0 1.0 0.0
GLU 160 1 1.0 1.0 0.0 0.0 0.0
HIS 161 0 0.5 0.5 0.0 0.0 0.0
HIS 162 0 0.0 0.0 0.0 0.0 0.0
HIS 163 0 0.0 0.0 0.0 0.0 0.0
HIS 164 0 0.0 0.0 0.0 0.0 0.0
HIS 165 0 0.0 0.0 0.0 0.0 0.0
HIS 166 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 211 895.0 406.0 105.0 384.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1106.0
List of conformationally-resticting NOE constraints
assign ((resid 2 and name HB1 )) ( (resid 3 and name HN )) 5.50 5.50 0.00
assign ((resid 3 and name HA )) ( (resid 4 and name HN )) 3.52 3.52 0.00
assign ((resid 4 and name HA )) ( (resid 5 and name HN )) 3.45 3.45 0.00
assign ((resid 6 and name HA )) ( (resid 7 and name HN )) 3.11 3.11 0.00
assign ((resid 6 and name HB2 )) ( (resid 7 and name HN )) 4.48 4.48 0.00
assign ((resid 6 and name HB1 )) ( (resid 7 and name HN )) 4.48 4.48 0.00
assign ((resid 7 and name HA )) ( (resid 8 and name HN )) 3.02 3.02 0.00
assign ((resid 8 and name HN )) ( (resid 9 and name HN )) 5.50 5.50 0.00
assign ((resid 8 and name HA )) ( (resid 9 and name HN )) 3.21 3.21 0.00
assign ((resid 8 and name HB )) ( (resid 9 and name HN )) 5.13 5.13 0.00
assign ((resid 9 and name HA )) ( (resid 10 and name HN )) 3.17 3.17 0.00
assign ((resid 9 and name HB2 )) ( (resid 10 and name HN )) 4.48 4.48 0.00
assign ((resid 9 and name HB1 )) ( (resid 10 and name HN )) 4.48 4.48 0.00
assign ((resid 10 and name HN )) ( (resid 11 and name HN )) 4.72 4.72 0.00
assign ((resid 10 and name HA )) ( (resid 11 and name HN )) 3.24 3.24 0.00
assign ((resid 10 and name HB2 )) ( (resid 11 and name HN )) 4.07 4.07 0.00
assign ((resid 10 and name HB1 )) ( (resid 11 and name HN )) 4.07 4.07 0.00
assign ((resid 11 and name HA )) ( (resid 12 and name HN )) 2.86 2.86 0.00
assign ((resid 11 and name HB2 )) ( (resid 12 and name HN )) 4.35 4.35 0.00
assign ((resid 11 and name HB1 )) ( (resid 12 and name HN )) 5.00 5.00 0.00
assign ((resid 12 and name HN )) ( (resid 13 and name HN )) 5.41 5.41 0.00
assign ((resid 12 and name HA )) ( (resid 13 and name HN )) 3.21 3.21 0.00
assign ((resid 13 and name HB2 )) ( (resid 14 and name HN )) 4.48 4.48 0.00
assign ((resid 13 and name HB1 )) ( (resid 14 and name HN )) 4.48 4.48 0.00
assign ((resid 14 and name HA )) ( (resid 15 and name HN )) 3.05 3.05 0.00
assign ((resid 14 and name HB2 )) ( (resid 15 and name HN )) 4.66 4.66 0.00
assign ((resid 14 and name HB1 )) ( (resid 15 and name HN )) 4.66 4.66 0.00
assign ((resid 16 and name HA )) ( (resid 17 and name HN )) 3.14 3.14 0.00
assign ((resid 18 and name HA )) ( (resid 19 and name HN )) 2.93 2.93 0.00
assign ((resid 18 and name HB1 )) ( (resid 19 and name HN )) 4.29 4.29 0.00
assign ((resid 19 and name HA )) ( (resid 20 and name HN )) 3.02 3.02 0.00
assign ((resid 20 and name HA )) ( (resid 21 and name HN )) 3.11 3.11 0.00
assign ((resid 20 and name HB2 )) ( (resid 21 and name HN )) 4.60 4.60 0.00
assign ((resid 20 and name HB1 )) ( (resid 21 and name HN )) 4.60 4.60 0.00
assign ((resid 22 and name HA )) ( (resid 23 and name HN )) 2.99 2.99 0.00
assign ((resid 23 and name HN )) ( (resid 24 and name HN )) 4.66 4.66 0.00
assign ((resid 23 and name HA )) ( (resid 24 and name HN )) 3.02 3.02 0.00
assign ((resid 23 and name HB2 )) ( (resid 24 and name HN )) 5.38 5.38 0.00
assign ((resid 23 and name HB1 )) ( (resid 24 and name HN )) 5.38 5.38 0.00
assign ((resid 24 and name HA )) ( (resid 25 and name HN )) 2.90 2.90 0.00
assign ((resid 24 and name HB )) ( (resid 25 and name HN )) 4.29 4.29 0.00
assign ((resid 25 and name HA )) ( (resid 26 and name HN )) 3.08 3.08 0.00
assign ((resid 26 and name HA )) ( (resid 27 and name HN )) 3.42 3.42 0.00
assign ((resid 26 and name HB )) ( (resid 27 and name HN )) 4.63 4.63 0.00
assign ((resid 27 and name HA )) ( (resid 28 and name HN )) 3.48 3.48 0.00
assign ((resid 28 and name HN )) ( (resid 29 and name HN )) 4.26 4.26 0.00
assign ((resid 30 and name HB2 )) ( (resid 31 and name HN )) 4.66 4.66 0.00
assign ((resid 30 and name HB1 )) ( (resid 31 and name HN )) 4.66 4.66 0.00
assign ((resid 31 and name HB2 )) ( (resid 32 and name HN )) 4.38 4.38 0.00
assign ((resid 31 and name HB1 )) ( (resid 32 and name HN )) 4.38 4.38 0.00
assign ((resid 34 and name HN )) ( (resid 35 and name HN )) 4.04 4.04 0.00
assign ((resid 34 and name HB2 )) ( (resid 35 and name HN )) 4.14 4.14 0.00
assign ((resid 35 and name HN )) ( (resid 36 and name HN )) 3.73 3.73 0.00
assign ((resid 35 and name HB2 )) ( (resid 36 and name HN )) 4.72 4.72 0.00
assign ((resid 35 and name HB1 )) ( (resid 36 and name HN )) 4.72 4.72 0.00
assign ((resid 37 and name HN )) ( (resid 38 and name HN )) 3.45 3.45 0.00
assign ((resid 38 and name HN )) ( (resid 39 and name HN )) 3.95 3.95 0.00
assign ((resid 39 and name HB2 )) ( (resid 40 and name HN )) 5.10 5.10 0.00
assign ((resid 39 and name HB1 )) ( (resid 40 and name HN )) 5.10 5.10 0.00
assign ((resid 46 and name HN )) ( (resid 47 and name HN )) 3.42 3.42 0.00
assign ((resid 46 and name HB2 )) ( (resid 47 and name HN )) 3.30 3.30 0.00
assign ((resid 46 and name HB1 )) ( (resid 47 and name HN )) 4.04 4.04 0.00
assign ((resid 47 and name HN )) ( (resid 48 and name HN )) 3.27 3.27 0.00
assign ((resid 48 and name HN )) ( (resid 49 and name HN )) 3.27 3.27 0.00
assign ((resid 51 and name HA )) ( (resid 52 and name HN )) 2.93 2.93 0.00
assign ((resid 51 and name HB2 )) ( (resid 52 and name HN )) 3.64 3.64 0.00
assign ((resid 51 and name HB1 )) ( (resid 52 and name HN )) 3.64 3.64 0.00
assign ((resid 53 and name HA )) ( (resid 54 and name HN )) 3.21 3.21 0.00
assign ((resid 53 and name HB2 )) ( (resid 54 and name HN )) 4.07 4.07 0.00
assign ((resid 54 and name HN )) ( (resid 55 and name HN )) 3.27 3.27 0.00
assign ((resid 57 and name HA )) ( (resid 58 and name HN )) 3.30 3.30 0.00
assign ((resid 58 and name HB2 )) ( (resid 59 and name HN )) 4.85 4.85 0.00
assign ((resid 59 and name HA )) ( (resid 60 and name HN )) 3.39 3.39 0.00
assign ((resid 60 and name HA )) ( (resid 61 and name HN )) 3.42 3.42 0.00
assign ((resid 61 and name HA )) ( (resid 62 and name HN )) 3.42 3.42 0.00
assign ((resid 68 and name HB )) ( (resid 69 and name HN )) 4.11 4.11 0.00
assign ((resid 69 and name HN )) ( (resid 70 and name HN )) 5.25 5.25 0.00
assign ((resid 69 and name HA )) ( (resid 70 and name HN )) 3.52 3.52 0.00
assign ((resid 69 and name HB2 )) ( (resid 70 and name HN )) 4.32 4.32 0.00
assign ((resid 70 and name HN )) ( (resid 71 and name HN )) 5.47 5.47 0.00
assign ((resid 70 and name HA )) ( (resid 71 and name HN )) 3.17 3.17 0.00
assign ((resid 71 and name HN )) ( (resid 72 and name HN )) 5.19 5.19 0.00
assign ((resid 71 and name HA )) ( (resid 72 and name HN )) 3.17 3.17 0.00
assign ((resid 71 and name HB )) ( (resid 72 and name HN )) 3.52 3.52 0.00
assign ((resid 76 and name HA )) ( (resid 77 and name HN )) 3.02 3.02 0.00
assign ((resid 76 and name HB2 )) ( (resid 77 and name HN )) 4.63 4.63 0.00
assign ((resid 76 and name HB1 )) ( (resid 77 and name HN )) 4.63 4.63 0.00
assign ((resid 77 and name HA )) ( (resid 78 and name HN )) 3.24 3.24 0.00
assign ((resid 78 and name HN )) ( (resid 79 and name HN )) 3.76 3.76 0.00
assign ((resid 81 and name HA )) ( (resid 82 and name HN )) 2.80 2.80 0.00
assign ((resid 82 and name HN )) ( (resid 83 and name HN )) 4.51 4.51 0.00
assign ((resid 82 and name HA )) ( (resid 83 and name HN )) 2.86 2.86 0.00
assign ((resid 83 and name HN )) ( (resid 84 and name HN )) 4.82 4.82 0.00
assign ((resid 84 and name HA )) ( (resid 85 and name HN )) 3.48 3.48 0.00
assign ((resid 87 and name HA )) ( (resid 88 and name HN )) 3.52 3.52 0.00
assign ((resid 87 and name HB )) ( (resid 88 and name HN )) 5.38 5.38 0.00
assign ((resid 88 and name HB )) ( (resid 89 and name HN )) 3.05 3.05 0.00
assign ((resid 89 and name HA )) ( (resid 90 and name HN )) 3.02 3.02 0.00
assign ((resid 89 and name HB )) ( (resid 90 and name HN )) 3.42 3.42 0.00
assign ((resid 90 and name HA2 )) ( (resid 91 and name HN )) 3.27 3.27 0.00
assign ((resid 90 and name HA1 )) ( (resid 91 and name HN )) 3.27 3.27 0.00
assign ((resid 91 and name HA )) ( (resid 92 and name HN )) 2.96 2.96 0.00
assign ((resid 91 and name HB1 )) ( (resid 92 and name HN )) 5.50 5.50 0.00
assign ((resid 93 and name HA )) ( (resid 94 and name HN )) 2.83 2.83 0.00
assign ((resid 93 and name HB2 )) ( (resid 94 and name HN )) 3.98 3.98 0.00
assign ((resid 93 and name HB1 )) ( (resid 94 and name HN )) 3.98 3.98 0.00
assign ((resid 94 and name HA )) ( (resid 95 and name HN )) 3.42 3.42 0.00
assign ((resid 94 and name HB2 )) ( (resid 95 and name HN )) 4.26 4.26 0.00
assign ((resid 94 and name HB1 )) ( (resid 95 and name HN )) 4.26 4.26 0.00
assign ((resid 95 and name HA2 )) ( (resid 96 and name HN )) 3.45 3.45 0.00
assign ((resid 96 and name HN )) ( (resid 97 and name HN )) 4.63 4.63 0.00
assign ((resid 96 and name HA )) ( (resid 97 and name HN )) 3.24 3.24 0.00
assign ((resid 96 and name HB2 )) ( (resid 97 and name HN )) 4.72 4.72 0.00
assign ((resid 96 and name HB1 )) ( (resid 97 and name HN )) 4.72 4.72 0.00
assign ((resid 97 and name HA )) ( (resid 98 and name HN )) 3.33 3.33 0.00
assign ((resid 98 and name HA )) ( (resid 99 and name HN )) 3.24 3.24 0.00
assign ((resid 99 and name HA )) ( (resid 100 and name HN )) 3.11 3.11 0.00
assign ((resid 100 and name HA )) ( (resid 101 and name HN )) 3.45 3.45 0.00
assign ((resid 101 and name HA )) ( (resid 102 and name HN )) 3.48 3.48 0.00
assign ((resid 102 and name HA )) ( (resid 103 and name HN )) 3.21 3.21 0.00
assign ((resid 103 and name HA )) ( (resid 104 and name HN )) 3.39 3.39 0.00
assign ((resid 110 and name HB2 )) ( (resid 111 and name HN )) 5.28 5.28 0.00
assign ((resid 110 and name HB1 )) ( (resid 111 and name HN )) 5.28 5.28 0.00
assign ((resid 111 and name HN )) ( (resid 112 and name HN )) 3.64 3.64 0.00
assign ((resid 113 and name HN )) ( (resid 114 and name HN )) 3.79 3.79 0.00
assign ((resid 113 and name HB2 )) ( (resid 114 and name HN )) 4.66 4.66 0.00
assign ((resid 113 and name HB1 )) ( (resid 114 and name HN )) 4.66 4.66 0.00
assign ((resid 114 and name HN )) ( (resid 115 and name HN )) 3.86 3.86 0.00
assign ((resid 114 and name HB2 )) ( (resid 115 and name HN )) 4.04 4.04 0.00
assign ((resid 114 and name HB1 )) ( (resid 115 and name HN )) 4.04 4.04 0.00
assign ((resid 117 and name HN )) ( (resid 118 and name HN )) 3.83 3.83 0.00
assign ((resid 119 and name HN )) ( (resid 120 and name HN )) 3.86 3.86 0.00
assign ((resid 120 and name HB )) ( (resid 121 and name HN )) 3.73 3.73 0.00
assign ((resid 121 and name HN )) ( (resid 122 and name HN )) 3.67 3.67 0.00
assign ((resid 121 and name HB2 )) ( (resid 122 and name HN )) 4.35 4.35 0.00
assign ((resid 121 and name HB1 )) ( (resid 122 and name HN )) 4.35 4.35 0.00
assign ((resid 122 and name HN )) ( (resid 123 and name HN )) 3.48 3.48 0.00
assign ((resid 122 and name HB2 )) ( (resid 123 and name HN )) 4.76 4.76 0.00
assign ((resid 125 and name HA )) ( (resid 126 and name HN )) 3.27 3.27 0.00
assign ((resid 125 and name HB2 )) ( (resid 126 and name HN )) 3.83 3.83 0.00
assign ((resid 126 and name HA )) ( (resid 127 and name HN )) 3.17 3.17 0.00
assign ((resid 126 and name HB2 )) ( (resid 127 and name HN )) 5.04 5.04 0.00
assign ((resid 126 and name HB1 )) ( (resid 127 and name HN )) 5.04 5.04 0.00
assign ((resid 127 and name HA )) ( (resid 128 and name HN )) 3.24 3.24 0.00
assign ((resid 127 and name HB2 )) ( (resid 128 and name HN )) 5.16 5.16 0.00
assign ((resid 127 and name HB1 )) ( (resid 128 and name HN )) 4.29 4.29 0.00
assign ((resid 131 and name HA )) ( (resid 132 and name HN )) 3.39 3.39 0.00
assign ((resid 132 and name HA )) ( (resid 133 and name HN )) 3.27 3.27 0.00
assign ((resid 133 and name HA )) ( (resid 134 and name HN )) 3.11 3.11 0.00
assign ((resid 134 and name HA )) ( (resid 135 and name HN )) 3.21 3.21 0.00
assign ((resid 136 and name HB2 )) ( (resid 137 and name HN )) 4.79 4.79 0.00
assign ((resid 136 and name HB1 )) ( (resid 137 and name HN )) 4.79 4.79 0.00
assign ((resid 137 and name HB1 )) ( (resid 138 and name HN )) 5.28 5.28 0.00
assign ((resid 139 and name HB1 )) ( (resid 140 and name HN )) 3.45 3.45 0.00
assign ((resid 140 and name HN )) ( (resid 141 and name HN )) 3.11 3.11 0.00
assign ((resid 141 and name HB2 )) ( (resid 142 and name HN )) 4.23 4.23 0.00
assign ((resid 141 and name HB1 )) ( (resid 142 and name HN )) 4.23 4.23 0.00
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assign ((resid 51 and name HB* )) ( (resid 52 and name HN )) 3.32 3.32 0.00
assign ((resid 51 and name HD* )) ( (resid 81 and name HG* )) 7.05 7.05 0.00
assign ((resid 51 and name HD2 )) ( (resid 81 and name HG1* )) 8.17 8.17 0.00
assign ((resid 51 and name HD1 )) ( (resid 81 and name HG2* )) 8.17 8.17 0.00
assign ((resid 51 and name HE* )) ( (resid 81 and name HG* )) 6.68 6.68 0.00
assign ((resid 51 and name HE1 )) ( (resid 81 and name HG1* )) 8.28 8.28 0.00
assign ((resid 52 and name HN )) ( (resid 52 and name HB* )) 3.73 3.73 0.00
assign ((resid 53 and name HB* )) ( (resid 54 and name HN )) 3.88 3.88 0.00
assign ((resid 53 and name HB* )) ( (resid 55 and name HN )) 3.71 3.71 0.00
assign ((resid 53 and name HB* )) ( (resid 75 and name HB* )) 6.32 6.32 0.00
assign ((resid 53 and name HB2 )) ( (resid 75 and name HB1 )) 7.26 7.26 0.00
assign ((resid 53 and name HB1 )) ( (resid 75 and name HB1 )) 7.26 7.26 0.00
assign ((resid 53 and name HB* )) ( (resid 77 and name HG1* )) 7.40 7.40 0.00
assign ((resid 53 and name HD* )) ( (resid 54 and name HN )) 5.50 5.50 0.00
assign ((resid 58 and name HB* )) ( (resid 59 and name HN )) 4.48 4.48 0.00
assign ((resid 58 and name HB* )) ( (resid 134 and name HG2* )) 7.40 7.40 0.00
assign ((resid 58 and name HB* )) ( (resid 134 and name HD1* )) 7.40 7.40 0.00
assign ((resid 60 and name HA )) ( (resid 133 and name HG* )) 6.38 6.38 0.00
assign ((resid 61 and name HA )) ( (resid 70 and name HG* )) 6.38 6.38 0.00
assign ((resid 64 and name HN )) ( (resid 64 and name HB* )) 3.82 3.82 0.00
assign ((resid 64 and name HG* )) ( (resid 154 and name HN )) 6.38 6.38 0.00
assign ((resid 69 and name HB* )) ( (resid 70 and name HN )) 4.09 4.09 0.00
assign ((resid 70 and name HG* )) ( (resid 71 and name HN )) 5.37 5.37 0.00
assign ((resid 70 and name HG* )) ( (resid 71 and name HA )) 6.38 6.38 0.00
assign ((resid 77 and name HB )) ( (resid 81 and name HG* )) 7.36 7.36 0.00
assign ((resid 77 and name HG2* )) ( (resid 79 and name HA* )) 7.40 7.40 0.00
assign ((resid 78 and name HB* )) ( (resid 79 and name HN )) 4.11 4.11 0.00
assign ((resid 82 and name HN )) ( (resid 82 and name HB* )) 3.85 3.85 0.00
assign ((resid 82 and name HB* )) ( (resid 83 and name HN )) 4.08 4.08 0.00
assign ((resid 82 and name HB* )) ( (resid 89 and name HG2* )) 7.40 7.40 0.00
assign ((resid 82 and name HG* )) ( (resid 83 and name HN )) 5.35 5.35 0.00
assign ((resid 83 and name HA* )) ( (resid 88 and name HG1* )) 7.40 7.40 0.00
assign ((resid 83 and name HA* )) ( (resid 89 and name HN )) 5.26 5.26 0.00
assign ((resid 90 and name HA* )) ( (resid 91 and name HN )) 3.08 3.08 0.00
assign ((resid 91 and name HD* )) ( (resid 92 and name HN )) 6.07 6.07 0.00
assign ((resid 93 and name HB* )) ( (resid 94 and name HN )) 3.77 3.77 0.00
assign ((resid 94 and name HB* )) ( (resid 95 and name HN )) 3.86 3.86 0.00
assign ((resid 96 and name HN )) ( (resid 96 and name HB* )) 3.88 3.88 0.00
assign ((resid 96 and name HB* )) ( (resid 97 and name HN )) 4.16 4.16 0.00
assign ((resid 98 and name HB* )) ( (resid 153 and name HB* )) 7.40 7.40 0.00
assign ((resid 100 and name HB* )) ( (resid 112 and name HG1* )) 7.40 7.40 0.00
assign ((resid 100 and name HB* )) ( (resid 112 and name HG2* )) 6.02 6.02 0.00
assign ((resid 100 and name HB* )) ( (resid 116 and name HA )) 6.38 6.38 0.00
assign ((resid 100 and name HB* )) ( (resid 116 and name HD2* )) 6.11 6.11 0.00
assign ((resid 101 and name HB* )) ( (resid 136 and name HD* )) 8.95 8.95 0.00
assign ((resid 102 and name HB* )) ( (resid 112 and name HG2* )) 7.40 7.40 0.00
assign ((resid 103 and name HG2* )) ( (resid 146 and name HG* )) 7.40 7.40 0.00
assign ((resid 103 and name HD1* )) ( (resid 148 and name HB* )) 7.40 7.40 0.00
assign ((resid 106 and name HE* )) ( (resid 133 and name HB* )) 8.51 8.51 0.00
assign ((resid 106 and name HE* )) ( (resid 133 and name HG* )) 8.51 8.51 0.00
assign ((resid 109 and name HG1* )) ( (resid 113 and name HE* )) 8.51 8.51 0.00
assign ((resid 109 and name HG1* )) ( (resid 151 and name HG1* )) 7.40 7.40 0.00
assign ((resid 109 and name HG1* )) ( (resid 151 and name HG2* )) 7.40 7.40 0.00
assign ((resid 110 and name HN )) ( (resid 110 and name HB* )) 3.36 3.36 0.00
assign ((resid 110 and name HA )) ( (resid 113 and name HB* )) 6.38 6.38 0.00
assign ((resid 111 and name HA )) ( (resid 114 and name HB* )) 4.99 4.99 0.00
assign ((resid 113 and name HB* )) ( (resid 114 and name HN )) 4.32 4.32 0.00
assign ((resid 114 and name HN )) ( (resid 114 and name HB* )) 3.76 3.76 0.00
assign ((resid 114 and name HB* )) ( (resid 115 and name HN )) 3.82 3.82 0.00
assign ((resid 116 and name HN )) ( (resid 116 and name HB* )) 3.73 3.73 0.00
assign ((resid 116 and name HA )) ( (resid 119 and name HB* )) 5.14 5.14 0.00
assign ((resid 118 and name HA )) ( (resid 121 and name HB* )) 4.32 4.32 0.00
assign ((resid 118 and name HG* )) ( (resid 119 and name HN )) 6.38 6.38 0.00
assign ((resid 118 and name HG* )) ( (resid 121 and name HB* )) 7.26 7.26 0.00
assign ((resid 119 and name HA )) ( (resid 122 and name HB* )) 6.38 6.38 0.00
assign ((resid 121 and name HB* )) ( (resid 122 and name HN )) 3.91 3.91 0.00
assign ((resid 122 and name HN )) ( (resid 122 and name HB* )) 3.24 3.24 0.00
assign ((resid 122 and name HB* )) ( (resid 123 and name HN )) 4.40 4.40 0.00
assign ((resid 123 and name HN )) ( (resid 123 and name HB* )) 3.71 3.71 0.00
assign ((resid 125 and name HB1 )) ( (resid 155 and name HB* )) 6.38 6.38 0.00
assign ((resid 125 and name HD* )) ( (resid 155 and name HB* )) 8.51 8.51 0.00
assign ((resid 132 and name HD* )) ( (resid 152 and name HB* )) 8.51 8.51 0.00
assign ((resid 136 and name HD* )) ( (resid 137 and name HN )) 8.07 8.07 0.00
assign ((resid 136 and name HD* )) ( (resid 149 and name HA )) 8.07 8.07 0.00
assign ((resid 138 and name HN )) ( (resid 138 and name HB* )) 3.75 3.75 0.00
assign ((resid 138 and name HB* )) ( (resid 141 and name HG* )) 7.26 7.26 0.00
assign ((resid 140 and name HB* )) ( (resid 141 and name HG* )) 7.40 7.40 0.00
assign ((resid 141 and name HN )) ( (resid 141 and name HB* )) 3.62 3.62 0.00
assign ((resid 141 and name HB* )) ( (resid 142 and name HN )) 4.08 4.08 0.00
assign ((resid 142 and name HG2* )) ( (resid 146 and name HB* )) 7.40 7.40 0.00
assign ((resid 143 and name HB* )) ( (resid 146 and name HB* )) 7.40 7.40 0.00
assign ((resid 143 and name HB* )) ( (resid 146 and name HG* )) 6.62 6.62 0.00
assign ((resid 144 and name HA )) ( (resid 147 and name HB* )) 6.38 6.38 0.00
assign ((resid 144 and name HB* )) ( (resid 145 and name HN )) 3.83 3.83 0.00
assign ((resid 145 and name HN )) ( (resid 145 and name HB* )) 3.59 3.59 0.00
assign ((resid 146 and name HN )) ( (resid 146 and name HB* )) 3.67 3.67 0.00
assign ((resid 146 and name HN )) ( (resid 147 and name HB* )) 5.08 5.08 0.00
assign ((resid 147 and name HN )) ( (resid 147 and name HB* )) 3.62 3.62 0.00
assign ((resid 153 and name HN )) ( (resid 153 and name HB* )) 3.80 3.80 0.00
assign ((resid 153 and name HB* )) ( (resid 155 and name HD2* )) 6.75 6.75 0.00
assign ((resid 154 and name HB* )) ( (resid 159 and name HN )) 6.38 6.38 0.00
assign ((resid 154 and name HB* )) ( (resid 159 and name HD* )) 8.11 8.11 0.00
assign ((resid 155 and name HB* )) ( (resid 156 and name HN )) 4.11 4.11 0.00
assign ((resid 156 and name HN )) ( (resid 156 and name HB* )) 3.52 3.52 0.00
assign ((resid 159 and name HN )) ( (resid 159 and name HD* )) 8.07 8.07 0.00
list of removed NOE constraints
391-> LEU 20 HN - LEU 20 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
392-> LEU 34 HN - LEU 34 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
393-> LEU 91 HN - LEU 91 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
394-> LEU 116 HN - LEU 116 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
395-> LEU 127 HN - LEU 127 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
396-> LEU 136 HN - LEU 136 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
397-> LEU 147 HN - LEU 147 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
625-> LEU 11 HN - LEU 11 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
626-> LEU 11 HA - LEU 11 HD1* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
627-> LEU 11 HN - LEU 11 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
629-> LEU 14 HN - LEU 14 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
630-> LEU 14 HA - LEU 14 HD1* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
631-> LEU 14 HN - LEU 14 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
632-> LEU 14 HA - LEU 14 HD2* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
633-> LEU 20 HA - LEU 20 HD2* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
634-> LEU 20 HN - LEU 20 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
635-> LEU 20 HA - LEU 20 HD1* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
636-> LEU 21 HA - LEU 21 HD1* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
637-> LEU 21 HA - LEU 21 HD2* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
638-> LEU 31 HN - LEU 31 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
639-> LEU 31 HA - LEU 31 HD1* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
640-> LEU 31 HN - LEU 31 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
641-> LEU 31 HA - LEU 31 HD2* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
642-> LEU 34 HN - LEU 34 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
644-> LEU 34 HA - LEU 34 HD2* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
645-> LEU 46 HN - LEU 46 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
646-> LEU 46 HA - LEU 46 HD1* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
647-> LEU 46 HN - LEU 46 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
648-> LEU 46 HA - LEU 46 HD2* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
649-> LEU 91 HA - LEU 91 HD1* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
650-> LEU 91 HN - LEU 91 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
651-> LEU 91 HA - LEU 91 HD2* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
652-> LEU 101 HN - LEU 101 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
654-> ILE 103 HN - ILE 103 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
655-> ILE 109 HN - ILE 109 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
656-> LEU 116 HA - LEU 116 HD1* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
657-> LEU 116 HN - LEU 116 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
658-> LEU 116 HA - LEU 116 HD2* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
660-> LEU 127 HA - LEU 127 HD1* 0.00 6.43 # NoRestrctn I [2.11 5.99] -- intra
661-> LEU 127 HN - LEU 127 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
662-> LEU 127 HA - LEU 127 HD2* 0.00 6.43 # NoRestrctn I [2.11 5.99] -- intra
663-> ILE 134 HN - ILE 134 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
664-> LEU 136 HA - LEU 136 HD1* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
665-> LEU 136 HN - LEU 136 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
666-> LEU 136 HA - LEU 136 HD2* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
667-> LEU 147 HA - LEU 147 HD1* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
668-> LEU 147 HN - LEU 147 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
669-> LEU 147 HA - LEU 147 HD2* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
673-> LEU 155 HN - LEU 155 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
674-> LEU 155 HA - LEU 155 HD1* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
675-> LEU 155 HN - LEU 155 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
676-> LEU 155 HA - LEU 155 HD2* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
775-> ALA 97 HB* - ALA 98 HA 0.00 6.52 # NoRestrctn S [2.00 6.01] -- sequential
778-> ALA 97 HA - ALA 98 HB* 0.00 6.52 # NoRestrctn S [2.00 6.01] -- sequential
805-> THR 142 HA - ALA 143 HB* 0.00 6.52 # NoRestrctn S [2.00 6.01] -- sequential
913-> LEU 45 HN - LEU 45 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
933-> LEU 45 HA - LEU 45 HD1* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
968-> GLN 6 HN - GLN 6 HG* 0.00 6.38 # NoRestrctn I [2.29 6.01] -- intra
1068-> LYS 51 HN - LYS 51 HD* 0.00 6.38 # NoRestrctn I [2.29 6.01] -- intra
1132-> LYS 118 HN - LYS 118 HD* 0.00 6.38 # NoRestrctn I [2.29 6.01] -- intra
====== TOTAL ======: 60
table of distance constraints violations
Residual Violations greater than 0.10
41-> THR 24 HB - GLN 25 HN [ 0.00 4.29] 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.04 0.00 0.00 0.00 0.05 0.00 0.09 0.00 0.00 0.00 0.00 0.05 0.13 - 6 [ 0.04 .. 0.13]
46-> MET 28 HN - SER 29 HN [ 0.00 4.26] 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 - 4 [ 0.16 .. 0.26]
61-> LEU 46 HB2 - ALA 47 HN [ 0.00 3.30] 0.17 0.09 0.00 0.00 0.00 0.15 0.00 0.00 0.14 0.00 0.00 0.09 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.09 .. 0.17]
79-> PHE 69 HB2 - GLU 70 HN [ 0.00 4.32] 0.00 0.15 0.00 0.06 0.06 0.01 0.00 0.01 0.00 0.00 0.06 0.05 0.06 0.00 0.05 0.11 0.18 0.04 0.01 0.00 - 13 [ 0.01 .. 0.18]
99-> THR 89 HB - GLY 90 HN [ 0.00 3.42] 0.03 0.12 0.00 0.22 0.09 0.00 0.00 0.16 0.19 0.00 0.20 0.06 0.23 0.23 0.25 0.26 0.08 0.03 0.00 0.01 - 15 [ 0.01 .. 0.26]
133-> VAL 120 HB - ASP 121 HN [ 0.00 3.73] 0.24 0.11 0.17 0.18 0.16 0.15 0.17 0.19 0.16 0.12 0.12 0.16 0.00 0.18 0.13 0.00 0.18 0.00 0.21 0.11 - 17 [ 0.11 .. 0.24]
140-> PHE 125 HB2 - ASP 126 HN [ 0.00 3.83] 0.00 0.07 0.00 0.03 0.00 0.06 0.05 0.03 0.00 0.02 0.00 0.14 0.00 0.01 0.00 0.12 0.09 0.00 0.06 0.00 - 11 [ 0.01 .. 0.14]
155-> ALA 140 HN - GLU 141 HN [ 0.00 3.11] 0.13 0.10 0.00 0.14 0.00 0.00 0.00 0.00 0.29 0.08 0.07 0.08 0.03 0.10 0.12 0.17 0.02 0.19 0.03 0.00 - 14 [ 0.02 .. 0.29]
157-> GLU 141 HB3 - THR 142 HN [ 0.00 4.23] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.06 0.00 0.00 0.07 0.15 0.00 0.00 0.00 - 4 [ 0.02 .. 0.15]
170-> LEU 155 HB3 - HIS 156 HN [ 0.00 4.38] 0.00 0.00 0.00 0.12 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.17]
172-> LEU 159 HN - GLU 160 HN [ 0.00 4.29] 0.00 0.00 0.00 0.00 0.00 0.12 0.02 0.00 0.08 0.18 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.02 .. 0.18]
175-> GLN 6 HN - GLN 6 HB3 [ 0.00 3.95] 0.00 0.14 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.13 - 4 [ 0.09 .. 0.14]
200-> THR 68 HN - THR 68 HB [ 0.00 3.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.12]
222-> PHE 125 HN - PHE 125 HB3 [ 0.00 3.48] 0.10 0.19 0.12 0.00 0.11 0.00 0.14 0.04 0.19 0.16 0.12 0.00 0.22 0.00 0.19 0.12 0.00 0.00 0.00 0.14 - 13 [ 0.04 .. 0.22]
228-> GLU 141 HN - GLU 141 HB3 [ 0.00 3.86] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
229-> THR 142 HN - THR 142 HB [ 0.00 3.30] 0.00 0.00 0.00 0.13 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.04 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.18]
239-> HIS 156 HN - HIS 156 HB2 [ 0.00 3.73] 0.00 0.00 0.19 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.17 .. 0.19]
241-> GLU 160 HN - GLU 160 HA [ 0.00 2.80] 0.07 0.01 0.00 0.01 0.07 0.00 0.10 0.09 0.07 0.00 0.07 0.13 0.02 0.12 0.09 0.08 0.11 0.10 0.09 0.00 - 16 [ 0.01 .. 0.13]
242-> GLN 6 HN - PHE 7 HN [ 0.00 4.11] 0.00 0.00 0.10 0.07 0.00 0.00 0.00 0.00 0.08 0.17 0.00 0.00 0.13 0.00 0.00 0.00 0.12 0.13 0.15 0.03 - 10 [ 0.00 .. 0.17]
258-> GLY 67 HN - THR 68 HN [ 0.00 3.86] 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.10]
274-> GLY 129 HN - GLU 130 HN [ 0.00 3.70] 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.02 0.00 0.00 0.00 0.04 0.14 0.00 0.00 0.00 - 5 [ 0.02 .. 0.14]
276-> ASP 145 HN - GLN 146 HN [ 0.00 3.14] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.07 - 3 [ 0.04 .. 0.12]
283-> GLN 44 HA - ALA 47 HN [ 0.00 3.92] 0.00 0.02 0.00 0.07 0.01 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.01 - 6 [ 0.01 .. 0.10]
289-> SER 84 HN - VAL 87 HB [ 0.00 4.17] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.06 0.00 0.00 0.00 0.00 0.09 0.08 0.11 0.00 0.00 0.07 0.00 - 6 [ 0.06 .. 0.11]
297-> LEU 127 HB2 - GLY 129 HN [ 0.00 4.17] 0.06 0.09 0.08 0.08 0.13 0.00 0.00 0.00 0.00 0.03 0.00 0.07 0.00 0.04 0.06 0.05 0.08 0.00 0.00 0.07 - 12 [ 0.03 .. 0.13]
299-> ALA 97 HA - LEU 155 HN [ 0.00 5.50] 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.04 0.00 0.00 0.07 0.00 0.00 0.16 - 7 [ 0.00 .. 0.16]
311-> ALA 140 HN - THR 142 HN [ 0.00 4.42] 0.00 0.00 0.01 0.00 0.14 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 - 4 [ 0.01 .. 0.14]
329-> PRO 53 HG2 - SER 54 HN [ 0.00 5.50] 0.01 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.01 0.00 0.00 0.02 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.01 .. 0.15]
333-> LYS 96 HD2 - ALA 97 HN [ 0.00 5.50] 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 - 3 [ 0.03 .. 0.11]
334-> LYS 96 HD3 - ALA 97 HN [ 0.00 5.50] 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.13 0.06 0.01 0.00 0.11 0.00 0.00 0.01 0.09 0.00 0.00 0.00 0.00 - 7 [ 0.01 .. 0.13]
341-> PRO 144 HG3 - ASP 145 HN [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.12 0.10 0.07 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 - 5 [ 0.05 .. 0.12]
342-> PRO 144 HD2 - ASP 145 HN [ 0.00 5.50] 0.00 0.00 0.05 0.00 0.08 0.00 0.09 0.00 0.00 0.07 0.00 0.01 0.03 0.00 0.00 0.05 0.00 0.00 0.11 0.00 - 8 [ 0.01 .. 0.11]
343-> PRO 144 HD3 - ASP 145 HN [ 0.00 5.50] 0.00 0.00 0.04 0.12 0.00 0.06 0.01 0.13 0.00 0.01 0.13 0.10 0.05 0.00 0.23 0.01 0.04 0.00 0.04 0.16 - 14 [ 0.01 .. 0.23]
373-> ASN 123 HN - ASN 123 HD22 [ 0.00 5.50] 0.00 0.13 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.09 0.00 0.00 0.00 0.00 0.10 0.11 0.00 0.00 - 7 [ 0.00 .. 0.13]
375-> TRP 119 HE1 - ASN 123 HD21 [ 0.00 5.50] 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 - 3 [ 0.09 .. 0.17]
421-> PHE 7 HN - PHE 7 HB3 [ 0.00 3.95] 0.13 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 0.13]
423-> LEU 11 HN - LEU 11 HB2 [ 0.00 3.39] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.20 0.00 0.27 0.00 - 3 [ 0.17 .. 0.27]
429-> ILE 103 HN - ILE 103 HB [ 0.00 3.61] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.05 0.12 0.00 0.03 - 5 [ 0.03 .. 0.12]
430-> VAL 112 HN - VAL 112 HB [ 0.00 3.42] 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
433-> LYS 118 HN - LYS 118 HB2 [ 0.00 3.45] 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.13 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.13 .. 0.15]
448-> VAL 81 HB - GLU 82 HN [ 0.00 3.52] 0.07 0.10 0.10 0.06 0.11 0.05 0.05 0.14 0.10 0.06 0.09 0.06 0.11 0.15 0.06 0.03 0.06 0.08 0.09 0.08 - 20 [ 0.03 .. 0.15]
462-> GLN 25 HA - THR 26 HB [ 0.00 5.50] 0.04 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 - 3 [ 0.04 .. 0.11]
509-> LYS 51 HA - LYS 51 HE2 [ 0.00 5.16] 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.13 - 4 [ 0.06 .. 0.13]
512-> LYS 51 HA - LYS 51 HE3 [ 0.00 5.16] 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.03 0.00 0.08 0.00 0.01 0.08 0.07 0.09 0.00 0.11 0.06 0.00 0.00 - 10 [ 0.00 .. 0.11]
525-> LYS 96 HA - LYS 96 HE2 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
555-> GLN 25 HG2 - THR 26 HN [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
570-> GLU 108 HG2 - ILE 109 HN [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
589-> TYR 102 HA - THR 149 HB [ 0.00 5.50] 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.11 0.00 0.00 0.00 0.31 0.00 0.00 0.05 0.02 0.00 - 6 [ 0.02 .. 0.31]
619-> VAL 120 HA - PHE 125 HB3 [ 0.00 5.50] 0.00 0.02 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.16 - 5 [ 0.02 .. 0.16]
622-> ALA 131 HA - LEU 153 HB2 [ 0.00 5.50] 0.00 0.14 0.08 0.00 0.04 0.00 0.00 0.00 0.00 0.06 0.02 0.07 0.00 0.11 0.00 0.00 0.00 0.01 0.00 0.16 - 9 [ 0.01 .. 0.16]
965-> ASP 2 HB3 - PHE 3 HB3 [ 0.00 6.95] 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
1173-> THR 24 HN - VAL 71 O [ 0.00 2.00] 0.00 0.00 0.02 0.00 0.04 0.03 0.00 0.00 0.07 0.15 0.08 0.02 0.02 0.00 0.00 0.00 0.00 0.12 0.00 0.00 - 11 [ 0.00 .. 0.15]
1175-> THR 26 HN - PHE 69 O [ 0.00 2.00] 0.00 0.00 0.01 0.00 0.00 0.02 0.00 0.00 0.06 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 - 6 [ 0.00 .. 0.11]
1187-> PHE 62 O - GLU 70 HN [ 0.00 2.00] 0.07 0.06 0.03 0.01 0.01 0.10 0.02 0.06 0.01 0.07 0.00 0.01 0.08 0.00 0.00 0.05 0.03 0.10 0.09 0.00 - 16 [ 0.01 .. 0.10]
1201-> TYR 61 O - ALA 131 HN [ 0.00 2.00] 0.01 0.09 0.03 0.01 0.05 0.00 0.05 0.04 0.00 0.00 0.01 0.05 0.05 0.00 0.05 0.10 0.06 0.00 0.06 0.02 - 16 [ 0.00 .. 0.10]
1209-> ALA 98 O - LEU 153 HN [ 0.00 2.00] 0.10 0.01 0.02 0.11 0.08 0.01 0.01 0.02 0.03 0.03 0.00 0.03 0.08 0.09 0.00 0.05 0.06 0.07 0.07 0.00 - 17 [ 0.01 .. 0.11]
-------------------------------------------
Number of Violations greater than 0.10 7 10 5 8 8 6 4 5 10 6 7 7 6 5 7 8 10 9 5 11
-------------------------------------------
---- Summary Of Residual Distance Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 6 8 5 7 8 6 3 5 9 6 5 6 4 4 4 7 9 9 3 11 6.25
0.2 - 0.5 ang: 1 2 0 1 0 0 1 0 1 0 2 1 2 1 3 1 1 0 2 0 0.95
> 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 39 36 37 38 42 36 43 38 34 49 36 50 34 33 41 38 43 43 40 41 39.55
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 0.238 0.232 0.193 0.220 0.167 0.152 0.310 0.191 0.293 0.181 0.263 0.230 0.230 0.226 0.305 0.262 0.204 0.194 0.272 0.164 0.310
Max Intra Viol : 0.125 0.211 0.193 0.126 0.167 0.152 0.310 0.088 0.192 0.156 0.116 0.147 0.219 0.119 0.190 0.122 0.204 0.124 0.272 0.143 0.310
Max Seque Viol : 0.238 0.232 0.172 0.220 0.167 0.152 0.168 0.191 0.293 0.181 0.263 0.230 0.230 0.226 0.250 0.262 0.176 0.194 0.205 0.164 0.293
Max Medium Viol : 0.170 0.089 0.078 0.082 0.136 0.011 0.027 0.093 0.103 0.069 0.007 0.070 0.046 0.090 0.085 0.112 0.075 0.100 0.107 0.066 0.170
Max Long Viol : 0.103 0.140 0.077 0.114 0.077 0.100 0.062 0.072 0.138 0.151 0.112 0.089 0.083 0.110 0.305 0.104 0.069 0.122 0.088 0.163 0.305
Average Violation : 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.00191
Avge Intra Viol : 0.001 0.003 0.002 0.001 0.002 0.001 0.003 0.001 0.002 0.001 0.002 0.002 0.002 0.001 0.003 0.002 0.003 0.002 0.001 0.002 0.00179
Avge Seque Viol : 0.001 0.000 0.000 0.001 0.001 0.000 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.001 0.001 0.000 0.000 0.000 0.001 0.000 0.00048
Avge Mediu Viol : 0.010 0.010 0.007 0.012 0.008 0.011 0.010 0.011 0.012 0.010 0.012 0.013 0.009 0.009 0.009 0.013 0.013 0.008 0.009 0.008 0.01021
Avge Long Viol : 0.001 0.002 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.002 0.001 0.001 0.002 0.001 0.001 0.002 0.001 0.002 0.00124
RMS Violation : 0.014 0.016 0.012 0.014 0.013 0.012 0.015 0.013 0.017 0.013 0.014 0.015 0.014 0.013 0.018 0.015 0.015 0.013 0.014 0.015 0.01431
RMS Intra : 0.012 0.021 0.016 0.010 0.014 0.010 0.023 0.006 0.017 0.011 0.012 0.015 0.018 0.009 0.019 0.013 0.019 0.014 0.017 0.015 0.01514
RMS Sequential : 0.010 0.005 0.004 0.006 0.009 0.001 0.002 0.009 0.006 0.004 0.000 0.004 0.002 0.007 0.007 0.006 0.004 0.006 0.008 0.004 0.00588
RMS Medium range : 0.036 0.036 0.027 0.040 0.031 0.033 0.030 0.035 0.043 0.032 0.041 0.038 0.033 0.035 0.038 0.040 0.038 0.029 0.032 0.030 0.03514
RMS Long range : 0.007 0.011 0.007 0.007 0.007 0.008 0.006 0.007 0.010 0.012 0.007 0.010 0.008 0.010 0.016 0.008 0.007 0.010 0.008 0.016 0.00940
Final --global-- Summary for 20 models, 1210 NOEs/model, 24200 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 46.267
Summ sq. viol : 4.953
Maximum viol : 0.310
Average viol : 0.00191
RMSD viol : 0.01431
Std. Dev. viol : 0.01418
RMS Intra : 0.01514
RMS Seque : 0.00588
RMS Medi : 0.03514
RMS Long : 0.00940
table of dihedral angle constraints violations
1-> [VAL A 8] PHI -121.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 - 4 [ 0.0 .. 1.0]
2-> [VAL A 8] PSI 107.0 165.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.4 0.0 0.0 0.0 0.7 0.0 0.3 1.9 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 1.9]
5-> [LEU A 11] PHI -137.0 -83.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 1.1 - 3 [ 0.0 .. 1.3]
18-> [LEU A 20] PSI 123.0 -179.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.3 0.0 0.6 0.0 0.0 0.3 0.0 0.4 0.0 0.0 0.0 1.9 - 6 [ 0.0 .. 1.9]
22-> [ILE A 22] PSI 107.0 171.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 3.0 0.0 0.0 0.0 0.9 0.0 3.2 0.0 0.0 - 4 [ 0.0 .. 3.2]
23-> [ARG A 23] PHI -145.0 -83.0 0.5 0.0 0.7 1.8 2.2 3.2 1.9 2.2 0.1 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 2.0 - 10 [ 0.0 .. 3.2]
24-> [ARG A 23] PSI 101.0 159.0 1.1 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.9 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.7 0.0 0.0 - 5 [ 0.0 .. 1.2]
25-> [THR A 24] PHI -149.0 -85.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.7 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 - 3 [ 0.0 .. 1.5]
26-> [THR A 24] PSI 103.0 167.0 0.0 0.0 0.0 1.0 0.0 0.0 0.6 0.0 1.2 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 - 5 [ 0.0 .. 1.2]
27-> [GLN A 25] PHI -139.0 -81.0 0.0 0.0 0.0 0.0 0.7 1.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.1 - 4 [ 0.0 .. 2.1]
30-> [THR A 26] PSI 101.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 - 3 [ 0.0 .. 1.2]
32-> [ALA A 27] PSI 127.0 -169.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 3.3 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.3]
33-> [LEU A 31] PHI -75.0 -45.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.7 0.7 0.0 0.0 0.0 0.5 0.0 0.0 - 4 [ 0.0 .. 1.7]
34-> [LEU A 31] PSI -59.0 -17.0 0.0 0.0 0.0 0.5 0.5 0.0 0.0 0.0 0.0 0.3 0.0 0.0 1.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 - 5 [ 0.0 .. 1.8]
36-> [SER A 33] PSI -53.0 -31.0 0.3 0.0 1.2 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 2.8 0.0 0.0 0.6 0.0 0.0 0.3 0.3 0.0 - 7 [ 0.0 .. 2.8]
45-> [GLY A 38] PHI -75.0 -53.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.4]
46-> [GLY A 38] PSI -55.0 -27.0 0.0 0.0 0.0 0.0 0.2 0.0 0.2 0.0 0.0 1.6 0.0 1.0 0.0 0.0 0.0 0.9 0.0 2.4 0.0 0.0 - 7 [ 0.0 .. 2.4]
48-> [TYR A 39] PSI -67.0 -17.0 0.0 0.7 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 1.7 2.2 0.0 0.0 1.3 0.0 0.8 0.0 0.0 0.0 - 6 [ 0.0 .. 2.2]
49-> [HIS A 40] PHI -71.0 -49.0 1.5 0.0 0.0 1.3 0.7 1.4 0.0 2.5 0.6 1.3 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 1.5 - 9 [ 0.0 .. 2.5]
50-> [HIS A 40] PSI -53.0 -33.0 0.0 0.0 0.0 2.0 0.0 0.6 0.0 0.0 2.1 0.0 0.0 0.9 1.5 0.2 0.2 0.0 0.4 0.5 0.0 0.0 - 9 [ 0.0 .. 2.1]
54-> [SER A 52] PSI 69.0 165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 1.0 0.0 0.0 - 3 [ 0.0 .. 1.3]
55-> [PHE A 58] PHI -157.0 -117.0 0.0 1.4 3.2 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 1.9 0.0 1.1 0.0 0.8 - 7 [ 0.0 .. 3.2]
56-> [PHE A 58] PSI 119.0 -179.0 0.8 0.0 0.0 0.5 0.0 1.8 0.0 2.8 2.7 0.0 1.5 3.2 0.0 2.9 0.0 0.1 2.6 0.3 4.7 1.6 - 13 [ 0.0 .. 4.7]
57-> [ALA A 59] PHI -165.0 -95.0 1.3 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 4.5 0.0 0.0 0.0 0.0 0.0 0.0 2.5 0.0 0.0 0.0 - 4 [ 0.0 .. 4.5]
58-> [ALA A 59] PSI 111.0 139.0 0.5 3.3 0.0 0.0 1.4 0.4 1.4 0.0 0.0 0.0 0.0 0.6 1.0 0.0 0.4 3.8 0.0 0.7 0.0 0.3 - 11 [ 0.0 .. 3.8]
61-> [TYR A 61] PHI -151.0 -101.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 - 1 [ 0.0 .. 1.6]
63-> [PHE A 62] PHI -119.0 -57.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 1.5 0.0 0.0 0.2 0.0 - 4 [ 0.0 .. 1.5]
66-> [THR A 68] PSI 127.0 173.0 0.2 0.0 0.0 0.0 0.0 0.4 1.1 0.0 0.4 1.7 0.0 0.4 0.0 0.3 0.0 0.0 0.5 0.0 0.3 1.4 - 10 [ 0.0 .. 1.7]
67-> [PHE A 69] PHI -177.0 -81.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.9 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.8 0.0 0.0 - 4 [ 0.0 .. 1.7]
68-> [PHE A 69] PSI 115.0 -175.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.8 1.5 0.0 0.0 0.0 0.0 0.3 0.0 0.4 0.0 - 5 [ 0.0 .. 1.5]
71-> [VAL A 71] PHI -155.0 -107.0 0.5 0.0 0.0 0.0 0.0 0.0 1.0 1.4 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.4]
73-> [PHE A 73] PHI -75.0 -53.0 0.0 0.0 0.5 0.0 3.6 2.9 0.0 0.0 0.1 0.0 3.7 2.6 1.9 0.0 2.0 0.0 0.0 2.1 0.0 0.0 - 9 [ 0.0 .. 3.7]
74-> [PHE A 73] PSI -57.0 -5.0 0.0 4.6 5.5 0.0 2.3 4.5 2.8 0.0 0.0 0.0 2.7 3.6 3.7 0.0 4.1 5.6 0.3 1.8 0.6 4.0 - 14 [ 0.0 .. 5.6]
75-> [PHE A 75] PHI -161.0 -99.0 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.7]
76-> [PHE A 75] PSI 145.0 165.0 5.9 2.6 3.6 4.3 0.0 0.0 2.8 4.4 3.1 3.3 0.0 0.6 0.0 4.8 0.0 1.1 2.9 2.1 4.6 2.9 - 15 [ 0.0 .. 5.9]
77-> [VAL A 77] PHI -153.0 -117.0 0.0 0.6 1.1 2.6 0.0 0.8 1.1 0.0 0.7 0.6 0.4 1.1 2.3 2.0 0.0 0.0 0.0 0.0 0.0 0.0 - 12 [ 0.0 .. 2.6]
82-> [THR A 89] PSI 143.0 -177.0 0.0 0.0 1.3 0.0 0.0 1.8 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.8]
84-> [LEU A 91] PSI 131.0 -171.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.7]
85-> [THR A 92] PHI -175.0 -81.0 0.0 0.8 0.3 0.0 0.2 0.0 1.0 0.1 1.2 0.0 0.5 0.6 0.6 0.0 0.0 0.0 0.0 0.5 0.0 0.6 - 11 [ 0.0 .. 1.2]
88-> [SER A 94] PSI 133.0 -171.0 0.0 0.0 0.0 0.0 0.7 0.2 0.0 1.2 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.4 0.7 0.0 0.3 - 7 [ 0.0 .. 1.2]
89-> [ALA A 97] PHI -161.0 -115.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2 - 3 [ 0.0 .. 1.7]
91-> [ALA A 98] PHI -167.0 -79.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.8 0.3 2.6 - 6 [ 0.0 .. 2.6]
98-> [LEU A 101] PSI 101.0 157.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.6]
101-> [ILE A 103] PHI -137.0 -95.0 0.0 0.0 0.0 1.6 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.6]
102-> [ILE A 103] PSI 105.0 145.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.4 0.0 0.2 0.0 1.6 0.0 0.0 0.0 - 4 [ 0.0 .. 1.6]
103-> [TYR A 106] PHI -167.0 -97.0 0.8 1.5 1.8 0.6 0.1 3.0 2.8 2.0 2.5 0.4 1.0 0.0 0.7 0.9 0.5 0.9 1.5 0.7 1.5 1.4 - 19 [ 0.0 .. 3.0]
104-> [TYR A 106] PSI 135.0 175.0 0.8 0.0 1.3 0.2 0.0 0.6 1.0 1.5 0.8 0.1 0.0 1.3 1.1 0.7 1.1 1.9 1.8 2.0 0.0 0.6 - 16 [ 0.0 .. 2.0]
105-> [ILE A 109] PHI -75.0 -45.0 0.0 0.0 0.0 1.6 0.0 0.0 1.3 0.5 1.1 0.0 0.0 0.0 0.0 0.8 0.5 0.5 0.0 0.0 0.2 1.7 - 9 [ 0.0 .. 1.7]
108-> [GLU A 110] PSI -49.0 -23.0 0.0 0.0 0.7 0.0 0.0 0.3 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.0 1.3 0.7 0.0 - 6 [ 0.0 .. 1.3]
112-> [VAL A 112] PSI -55.0 -29.0 0.5 1.3 0.0 1.3 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.7 0.4 0.0 0.2 1.0 0.0 - 9 [ 0.0 .. 1.3]
119-> [LEU A 116] PHI -75.0 -51.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.2]
120-> [LEU A 116] PSI -57.0 -29.0 2.6 0.0 0.0 0.0 0.9 0.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 2.6]
122-> [MET A 117] PSI -51.0 -29.0 0.0 0.0 0.0 1.3 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.1 2.0 0.0 0.0 0.0 0.0 0.0 0.6 - 5 [ 0.0 .. 2.0]
123-> [LYS A 118] PHI -77.0 -55.0 1.5 1.0 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 2.2 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 2.2]
125-> [TRP A 119] PHI -75.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 - 1 [ 0.0 .. 1.1]
127-> [VAL A 120] PHI -75.0 -53.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 1.2 0.0 - 2 [ 0.0 .. 1.2]
128-> [VAL A 120] PSI -53.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 1.7 0.0 - 2 [ 0.0 .. 1.7]
129-> [ASP A 121] PHI -71.0 -49.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.6 0.0 0.0 0.0 - 3 [ 0.0 .. 1.3]
131-> [ASP A 122] PHI -81.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 0.0 1.5 0.0 0.0 0.0 - 2 [ 0.0 .. 1.6]
134-> [ASN A 123] PSI -37.0 31.0 0.8 0.3 0.0 1.8 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.1 0.0 0.0 1.2 0.5 0.0 0.0 - 7 [ 0.0 .. 2.1]
136-> [GLY A 124] PSI -9.0 63.0 0.0 0.5 0.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.4 - 4 [ 0.0 .. 8.4]
137-> [PHE A 125] PHI -177.0 -87.0 0.0 0.0 0.0 1.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.3 - 3 [ 0.0 .. 4.3]
138-> [PHE A 125] PSI 137.0 177.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.1 0.0 0.0 0.0 1.5 0.0 1.1 - 4 [ 0.0 .. 1.5]
140-> [ASP A 126] PSI 127.0 179.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.7 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.8 - 4 [ 0.0 .. 2.4]
141-> [LEU A 127] PHI -145.0 -45.0 1.6 0.0 0.0 0.0 2.6 1.2 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.9 0.4 0.0 0.0 0.0 - 6 [ 0.0 .. 2.6]
142-> [LEU A 127] PSI 117.0 167.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.8 0.0 0.8 0.0 2.3 0.0 0.3 0.0 0.0 - 6 [ 0.0 .. 2.3]
143-> [GLU A 130] PHI -153.0 -81.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.4 0.6 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.1]
144-> [GLU A 130] PSI 103.0 169.0 1.7 0.0 0.0 0.7 0.0 1.6 0.0 0.0 0.0 0.6 0.0 0.5 3.2 0.2 0.0 0.9 0.9 0.0 2.4 0.0 - 10 [ 0.0 .. 3.2]
145-> [ALA A 131] PHI -153.0 -89.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.2 0.0 0.0 0.0 0.0 0.0 1.2 0.3 - 3 [ 0.0 .. 3.2]
147-> [TYR A 132] PHI -143.0 -91.0 0.0 1.0 0.6 0.0 0.0 0.1 0.0 0.0 0.0 0.6 0.0 0.5 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.1 - 7 [ 0.0 .. 1.0]
148-> [TYR A 132] PSI 113.0 149.0 0.0 0.0 2.9 0.0 0.6 4.7 0.0 0.0 1.6 0.0 1.9 0.0 0.0 0.5 0.0 0.0 0.0 1.7 0.0 0.0 - 7 [ 0.0 .. 4.7]
150-> [GLU A 133] PSI 119.0 167.0 0.4 0.0 0.0 0.0 0.0 0.3 0.0 0.2 0.0 0.0 0.0 0.3 0.0 0.0 1.2 0.0 2.2 0.0 1.0 0.0 - 7 [ 0.0 .. 2.2]
152-> [ILE A 134] PSI 109.0 173.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.2]
154-> [ARG A 148] PSI 105.0 163.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.8 2.9 0.0 0.5 0.0 0.0 0.1 0.0 - 6 [ 0.0 .. 2.9]
155-> [THR A 149] PHI -149.0 -101.0 0.0 0.0 1.8 0.0 2.1 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.7 4.1 2.6 0.0 0.0 0.3 - 7 [ 0.0 .. 4.1]
159-> [VAL A 151] PHI -123.0 -91.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.1 1.0 0.0 0.0 1.0 0.4 0.0 2.4 0.0 0.0 0.0 1.4 0.0 - 7 [ 0.0 .. 2.4]
160-> [VAL A 151] PSI 115.0 149.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.1]
161-> [SER A 152] PHI -163.0 -105.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.7 0.0 0.0 0.0 0.0 0.3 - 4 [ 0.0 .. 1.1]
162-> [SER A 152] PSI 121.0 -173.0 0.0 0.8 0.0 0.0 0.0 2.6 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 2.6]
172-> [ASP A 2] PSI -85.0 -155.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 4.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 4.4]
185-> [GLU A 4] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.1]
196-> [GLN A 6] PSI -175.0 165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.1]
198-> [PHE A 7] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.2 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.2]
217-> [LEU A 11] CHI1 145.0 55.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.5 0.0 - 1 [ 0.0 .. 3.5]
230-> [ALA A 15] PSI 145.0 85.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.7 0.0 1.3 0.0 0.9 1.1 1.8 1.9 0.0 0.7 0.0 0.6 - 9 [ 0.0 .. 1.9]
235-> [VAL A 17] CHI1 175.0 55.0 0.0 0.7 0.9 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.5 0.0 0.0 0.7 0.0 0.0 0.0 0.7 - 6 [ 0.0 .. 1.1]
238-> [VAL A 17] PSI 145.0 85.0 3.2 3.4 2.6 3.4 3.6 4.0 4.7 4.9 3.3 5.0 3.0 5.0 3.2 3.2 4.4 1.6 6.5 3.5 5.1 2.6 - 20 [ 1.6 .. 6.5]
268-> [MET A 28] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 2.9]
355-> [SER A 52] PSI 145.0 85.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.0]
364-> [PRO A 56] PSI 155.0 175.0 1.6 2.1 0.0 2.5 0.0 0.0 0.9 1.4 0.0 3.2 0.0 1.6 0.0 1.5 0.0 0.0 0.6 2.1 1.3 0.0 - 11 [ 0.0 .. 3.2]
406-> [VAL A 71] CHI1 -175.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.0]
418-> [GLY A 74] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.7]
428-> [GLU A 78] CHI1 25.0 -25.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.4]
464-> [THR A 89] CHI1 -175.0 165.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 2.1 0.0 2.1 0.0 2.1 1.0 2.2 1.8 0.0 0.0 0.0 0.0 - 7 [ 0.0 .. 2.2]
475-> [THR A 92] CHI1 -65.0 175.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 2.0 - 3 [ 0.0 .. 2.0]
476-> [THR A 92] PSI 145.0 85.0 1.2 1.5 0.0 0.9 0.4 0.8 0.3 4.9 0.0 1.6 0.0 1.3 0.2 1.7 0.0 2.9 1.0 0.0 2.1 0.0 - 14 [ 0.0 .. 4.9]
502-> [GLY A 104] PSI -95.0 -155.0 0.0 0.0 0.0 0.3 0.1 0.0 0.0 0.0 0.6 0.0 1.3 0.0 0.0 0.4 0.9 0.4 0.0 0.0 1.0 0.1 - 9 [ 0.0 .. 1.3]
504-> [PRO A 105] PSI -55.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.4]
543-> [TRP A 119] CHI1 155.0 95.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 - 1 [ 0.0 .. 1.3]
546-> [VAL A 120] CHI1 165.0 65.0 0.0 0.3 0.0 0.8 0.9 0.0 0.0 0.0 0.7 0.5 0.0 1.2 0.0 0.0 0.0 0.4 1.2 2.4 0.0 1.7 - 10 [ 0.0 .. 2.4]
558-> [ASP A 126] CHI1 135.0 115.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 - 1 [ 0.0 .. 1.6]
596-> [LEU A 136] PSI -85.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 1.5 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.5]
606-> [ASN A 138] PSI 145.0 85.0 5.2 0.0 5.2 1.6 3.2 0.0 0.0 4.8 0.1 0.0 0.0 4.9 3.2 2.8 1.3 1.3 1.5 3.1 0.8 0.0 - 14 [ 0.0 .. 5.2]
607-> [PRO A 139] PSI 155.0 -165.0 0.0 0.0 0.3 3.8 0.0 2.6 2.0 3.6 0.0 0.0 2.1 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 - 8 [ 0.0 .. 3.8]
609-> [ALA A 140] PHI 175.0 75.0 0.5 0.2 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.6 0.0 0.2 0.4 0.4 0.8 2.0 0.0 0.3 0.1 1.0 - 12 [ 0.0 .. 2.0]
625-> [ALA A 143] PSI 145.0 85.0 2.4 0.7 0.0 0.0 0.7 1.1 0.0 0.0 0.0 8.2 0.0 0.0 0.0 0.0 1.8 0.0 0.0 2.2 0.0 1.2 - 8 [ 0.0 .. 8.2]
629-> [ASP A 145] PHI 175.0 75.0 0.0 0.0 0.1 1.7 1.1 0.0 0.1 0.2 0.0 0.1 1.0 0.8 0.6 0.0 0.0 0.0 0.1 0.0 0.0 0.0 - 10 [ 0.0 .. 1.7]
649-> [THR A 149] CHI1 -75.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.9 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.9]
675-> [HIS A 156] PHI 175.0 75.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.8]
684-> [GLU A 157] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 1.0 0.0 0.0 - 3 [ 0.0 .. 1.4]
686-> [SER A 158] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 - 1 [ 0.0 .. 2.6]
687-> [SER A 158] PSI -85.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 - 1 [ 0.0 .. 1.2]
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 15 15 13 17 11 15 14 17 15 13 16 18 16 19 18 16 18 19 16 22 16.15
> 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 37 29 30 39 33 33 28 32 35 33 30 44 38 48 39 36 43 48 33 39 36.35
Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Maximum Violation : 5.9 4.6 5.5 4.3 3.6 4.7 4.7 4.9 3.3 8.2 3.7 5.0 5.0 4.8 4.4 5.6 6.5 3.5 5.1 8.4 8.38
Max PHI Viol : 1.6 1.5 3.2 2.6 3.6 3.2 2.8 2.5 2.5 4.5 3.7 2.6 3.2 2.0 3.1 4.1 2.6 2.6 1.6 4.3 4.45
Max PSI Viol : 5.9 4.6 5.5 4.3 3.6 4.7 4.7 4.9 3.3 8.2 3.0 5.0 5.0 4.8 4.4 5.6 6.5 3.5 5.1 8.4 8.38
Max CHI1 Viol : 1.4 0.7 0.9 0.8 0.9 0.0 0.0 0.0 2.1 0.7 2.1 2.0 2.1 1.0 3.9 1.8 1.6 2.4 3.5 2.0 3.85
Max CHI2 Viol : 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.9 0.0 0.0 0.0 0.0 0.0 0.86
Average Violation : 0.1 0.1 0.1 0.1 0.1 0.1 0.0 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.067
Avge PHI Viol : 0.234 0.240 0.262 0.283 0.296 0.294 0.250 0.256 0.263 0.217 0.230 0.212 0.328 0.300 0.286 0.258 0.251 0.266 0.201 0.334 0.265
Avge PSI Viol : 0.429 0.396 0.394 0.421 0.321 0.420 0.355 0.471 0.347 0.468 0.388 0.499 0.386 0.448 0.412 0.426 0.439 0.468 0.422 0.420 0.419
Avge CHI1 Viol : 0.087 0.071 0.067 0.081 0.066 0.000 0.000 0.000 0.136 0.075 0.099 0.137 0.111 0.068 0.170 0.118 0.116 0.107 0.168 0.145 0.104
Avge CHI2 Viol : 0.082 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.072 0.000 0.116 0.000 0.000 0.000 0.000 0.000 0.036
RMS Violation : 0.404 0.353 0.410 0.375 0.321 0.419 0.319 0.484 0.311 0.493 0.329 0.437 0.414 0.389 0.416 0.407 0.405 0.379 0.410 0.496 0.402
RMS PHI Viol : 0.259 0.255 0.343 0.355 0.418 0.434 0.310 0.323 0.308 0.346 0.337 0.239 0.433 0.323 0.382 0.388 0.334 0.304 0.225 0.483 0.346
RMS PSI Viol : 0.753 0.650 0.734 0.645 0.460 0.702 0.548 0.907 0.496 0.914 0.532 0.817 0.668 0.696 0.638 0.687 0.714 0.663 0.727 0.824 0.699
RMS CHI1 Viol : 0.096 0.055 0.066 0.069 0.064 0.000 0.000 0.000 0.171 0.059 0.142 0.166 0.150 0.067 0.308 0.138 0.140 0.163 0.268 0.188 0.141
RMS CHI2 Viol : 0.068 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.053 0.000 0.099 0.000 0.000 0.000 0.000 0.000 0.029
Final --global-- Summary for 20 models, 687 ACOs/model, 13740 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 920.42
Summ. Sq. Viol. : 2221.15
Max. Viol. : 8.379
Avg. Viol. : 0.06699
RMS Viol. : 0.40206
Std. Dev. Viol. : 0.39644
JPEG image for inter-residue distance constraints per residue plot
S(phi)|S(psi) V/S Residue number
Text output from PDBStat of phi psi order
# CHAIN .GT. SUM.GT.
# RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6
# -----------------------------------------------------------------------------------
MET A 1 0.498 0.076 0.429 0.119
ASP A 2 0.315 0.411 0.458 0.159
PHE A 3 0.539 0.386 0.432 0.388
GLU A 4 0.273 0.500 0.356 0.319 0.278
CYS A 5 0.525 0.580 0.598
GLN A 6 0.512 0.678 0.441 0.519 0.352
PHE A 7 0.536 0.843 0.607 0.229
VAL A 8 0.909 0.983 0.471 8 8
CYS A 9 0.962 0.955 0.518 9 9
GLU A 10 0.971 0.982 0.112 0.714 0.356 10 10
LEU A 11 0.984 0.983 0.743 0.367 11 11
LYS A 12 0.974 0.967 0.337 0.352 0.222 0.351 12 12
GLU A 13 0.979 0.972 0.372 0.495 0.391 13 13
LEU A 14 0.956 0.962 0.847 0.217 14 14
ALA A 15 0.977 0.996 15 15
PRO A 16 0.994 0.961 0.952 0.889 16 16
VAL A 17 0.967 0.951 0.528 17 17
PRO A 18 0.987 0.985 0.946 0.877 18 18
ALA A 19 0.964 0.980 19 19
LEU A 20 0.984 0.992 0.522 0.288 20 20
LEU A 21 0.960 0.973 0.720 0.140 21 21
ILE A 22 0.941 0.940 0.461 0.163 22 22
ARG A 23 0.982 0.988 0.499 0.771 0.421 0.720 0.998 23 23
THR A 24 0.966 0.930 0.476 24 24
GLN A 25 0.952 0.980 0.657 0.481 0.430 25 25
THR A 26 0.899 0.920 0.586 26
ALA A 27 0.917 0.948 27 27
MET A 28 0.465 0.330 0.222 0.851 0.356
SER A 29 0.106 0.871 0.546
GLU A 30 0.909 0.881 0.755 0.547 0.535 30
LEU A 31 0.987 0.969 0.482 0.058 31 31
GLY A 32 0.979 0.983 32 32
SER A 33 0.995 0.994 0.752 33 33
LEU A 34 0.996 0.990 0.659 0.106 34 34
PHE A 35 0.991 0.991 0.880 0.548 35 35
GLU A 36 0.995 0.987 0.603 0.266 0.269 36 36
ALA A 37 0.987 0.980 37 37
GLY A 38 0.994 0.991 38 38
TYR A 39 0.991 0.979 0.327 0.537 39 39
HIS A 40 0.996 0.993 0.652 0.314 40 40
ASP A 41 0.941 0.488 0.760 0.473
ILE A 42 0.628 0.593 0.135 0.710
LEU A 43 0.647 0.830 0.580 0.279
GLN A 44 0.993 0.960 0.515 0.227 0.370 44 44
LEU A 45 0.992 0.959 0.727 0.399 45 45
LEU A 46 0.965 0.984 0.771 0.316 46 46
ALA A 47 0.996 0.984 47 47
GLY A 48 0.977 0.914 48 48
GLN A 49 0.945 0.953 0.623 0.685 0.226 49 49
GLY A 50 0.958 0.973 50 50
LYS A 51 0.962 0.989 0.534 0.738 0.334 0.734 51 51
SER A 52 0.961 0.992 0.548 52 52
PRO A 53 0.986 0.975 0.969 0.900 53 53
SER A 54 0.987 0.932 0.610 54 54
GLY A 55 0.937 0.983 55 55
PRO A 56 0.994 0.996 0.946 0.876 56 56
PRO A 57 0.995 0.991 0.948 0.873 57 57
PHE A 58 0.992 0.870 0.617 0.710 58
ALA A 59 0.894 0.993 59
ARG A 60 0.974 0.988 0.386 0.794 0.361 0.734 0.998 60 60
TYR A 61 0.981 0.980 0.584 0.189 61 61
PHE A 62 0.981 0.944 0.740 0.606 62 62
GLY A 63 0.555 0.523
MET A 64 0.621 0.600 0.805 0.296 0.111
SER A 65 0.737 0.186 0.399
ALA A 66 0.591 0.235
GLY A 67 0.187 0.935
THR A 68 0.892 0.982 0.907 68
PHE A 69 0.904 0.941 0.313 0.248 69 69
GLU A 70 0.985 0.976 0.609 0.623 0.425 70 70
VAL A 71 0.975 0.969 0.992 71 71
GLU A 72 0.949 0.942 0.614 0.687 0.531 72 72
PHE A 73 0.993 0.915 0.269 0.200 73 73
GLY A 74 0.678 0.777
PHE A 75 0.935 0.995 0.501 0.407 75 75
PRO A 76 0.990 0.984 0.960 0.895 76 76
VAL A 77 0.993 0.976 0.949 77 77
GLU A 78 0.960 0.978 0.367 0.118 0.260 78 78
GLY A 79 0.833 0.194
GLY A 80 0.180 0.936
VAL A 81 0.955 0.998 0.998 81 81
GLU A 82 0.949 0.950 0.498 0.370 0.310 82 82
GLY A 83 0.904 0.935 83 83
SER A 84 0.888 0.545 0.235
GLY A 85 0.837 0.650
ARG A 86 0.710 0.957 0.317 0.680 0.477 0.849 0.999
VAL A 87 0.960 0.958 0.544 87 87
VAL A 88 0.984 0.973 0.999 88 88
THR A 89 0.963 0.986 0.089 89 89
GLY A 90 0.944 0.929 90 90
LEU A 91 0.932 0.978 0.239 0.398 91 91
THR A 92 0.995 0.970 0.620 92 92
PRO A 93 0.985 0.969 0.931 0.871 93 93
SER A 94 0.932 0.968 0.249 94 94
GLY A 95 0.903 0.912 95 95
LYS A 96 0.900 0.966 0.582 0.152 0.708 0.502 96 96
ALA A 97 0.984 0.980 97 97
ALA A 98 0.993 0.987 98 98
SER A 99 0.975 0.977 0.152 99 99
SER A 100 0.965 0.963 0.319 100 100
LEU A 101 0.988 0.967 0.355 0.601 101 101
TYR A 102 0.958 0.968 0.630 0.436 102 102
ILE A 103 0.981 0.977 0.663 0.182 103 103
GLY A 104 0.964 0.990 104 104
PRO A 105 0.989 0.837 0.950 0.894 105
TYR A 106 0.968 0.975 0.821 0.328 106 106
GLY A 107 0.893 0.805 107
GLU A 108 0.898 0.872 0.433 0.783 0.360 108
ILE A 109 0.998 0.988 0.756 0.455 109 109
GLU A 110 0.991 0.989 0.359 0.537 0.504 110 110
ALA A 111 0.997 0.993 111 111
VAL A 112 0.995 0.995 0.711 112 112
TYR A 113 0.998 0.994 0.667 0.344 113 113
ASP A 114 0.995 0.989 0.823 0.216 114 114
ALA A 115 0.988 0.994 115 115
LEU A 116 0.993 0.991 0.741 0.342 116 116
MET A 117 0.995 0.995 0.475 0.514 0.168 117 117
LYS A 118 0.994 0.984 0.697 0.401 0.663 0.230 118 118
TRP A 119 0.994 0.993 0.819 0.677 119 119
VAL A 120 0.994 0.995 0.825 120 120
ASP A 121 0.993 0.994 0.995 0.697 121 121
ASP A 122 0.991 0.992 0.951 0.884 122 122
ASN A 123 0.981 0.971 0.653 0.788 123 123
GLY A 124 0.992 0.922 124 124
PHE A 125 0.925 0.990 0.626 0.369 125 125
ASP A 126 0.886 0.949 0.402 0.475 126
LEU A 127 0.810 0.965 0.878 0.249 127
SER A 128 0.924 0.699 0.472
GLY A 129 0.284 0.435
GLU A 130 0.896 0.921 0.067 0.473 0.299 130
ALA A 131 0.949 0.981 131 131
TYR A 132 0.978 0.980 0.362 0.185 132 132
GLU A 133 0.981 0.944 0.545 0.682 0.787 133 133
ILE A 134 0.923 0.979 0.320 0.682 134 134
TYR A 135 0.962 0.811 0.941 0.604 135
LEU A 136 0.811 0.196 0.344 0.073
ASP A 137 0.338 0.888 0.568 0.336
ASN A 138 0.901 0.948 0.297 0.348 138 138
PRO A 139 0.981 0.962 0.940 0.874 139 139
ALA A 140 0.906 0.912 140 140
GLU A 141 0.861 0.893 0.377 0.370 0.357 141
THR A 142 0.896 0.101 0.701
ALA A 143 0.199 0.901
PRO A 144 0.989 0.473 0.927 0.864
ASP A 145 0.558 0.957 0.707 0.602
GLN A 146 0.966 0.952 0.577 0.727 0.218 146 146
LEU A 147 0.980 0.882 0.651 0.369 147
ARG A 148 0.941 0.980 0.376 0.711 0.251 0.831 0.999 148 148
THR A 149 0.972 0.955 0.937 149 149
ARG A 150 0.944 0.980 0.014 0.856 0.414 0.667 0.998 150 150
VAL A 151 0.988 0.988 0.997 151 151
SER A 152 0.985 0.980 0.478 152 152
LEU A 153 0.968 0.966 0.274 0.175 153 153
MET A 154 0.975 0.688 0.516 0.450 0.115
LEU A 155 0.671 0.214 0.514 0.401
HIS A 156 0.256 0.231 0.712 0.190
GLU A 157 0.030 0.081 0.363 0.596 0.391
SER A 158 0.409 0.445 0.378
LEU A 159 0.555 0.222 0.520 0.222
GLU A 160 0.541 0.770 0.605 0.283 0.260
HIS A 161 0.626 0.451 0.454 0.470
HIS A 162 0.489 0.519 0.205 0.227
HIS A 163 0.542 0.530 0.346 0.453
HIS A 164 0.419 0.732 0.235 0.411
HIS A 165 0.746 0.558 0.239 0.182
HIS A 166 0.813 0.475 0.286
JPEG image of S(phi)~Residue_number Plot
JPEG image of S(psi)~Residue_number Plot
Table of Backbone and Heavy Atom RMSD
Text report of backbone and heavy atom RMSD for ordered regions
>
> Kabsch RMSD data for family `CTR107_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 1 is: 1.085
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 2 is: 1.039
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 3 is: 1.725
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 4 is: 1.034
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 5 is: 1.274
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 6 is: 1.546
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 7 is: 1.707
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 8 is: 1.644
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 9 is: 1.431
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 10 is: 1.006
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 11 is: 1.768
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 12 is: 1.098
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 13 is: 1.858
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 14 is: 0.988 (*)
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 15 is: 1.454
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 16 is: 1.297
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 17 is: 1.687
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 18 is: 1.044
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 19 is: 1.253
> Kabsch RMSD of backbone atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 20 is: 2.271
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[8..25],[31..40],[44..57],[60..62],[69..73],[75..78],[81..83],[87..104],[109..125],[131..134],[138..140],[148..153], is: 1.410
> Range of RMSD values to reference struct. is 0.988 to 2.271
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 1 is: 1.644
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 2 is: 1.525
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 3 is: 2.016
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 4 is: 1.549
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 5 is: 1.748
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 6 is: 1.954
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 7 is: 2.036
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 8 is: 1.949
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 9 is: 1.923
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 10 is: 1.494 (*)
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 11 is: 1.980
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 12 is: 1.547
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 13 is: 2.165
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 14 is: 1.519
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 15 is: 1.858
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 16 is: 1.742
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 17 is: 2.008
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 18 is: 1.641
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 19 is: 1.740
> Kabsch RMSD of heavy atoms in res. A[8..25],A[31..40],A[44..57],A[60..62],A[69..73],A[75..78],A[81..83],A[87..104],A[109..125],A[131..134],A[138..140],A[148..153],for model 20 is: 2.609
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[8..25],[31..40],[44..57],[60..62],[69..73],[75..78],[81..83],[87..104],[109..125],[131..134],[138..140],[148..153], is: 1.832
> Range of RMSD values to reference struct. is 1.494 to 2.609
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..166],for model 1 is: 4.175
> Kabsch RMSD of backb atoms in res. *[1..166],for model 2 is: 3.036
> Kabsch RMSD of backb atoms in res. *[1..166],for model 3 is: 4.510
> Kabsch RMSD of backb atoms in res. *[1..166],for model 4 is: 3.079
> Kabsch RMSD of backb atoms in res. *[1..166],for model 5 is: 3.463
> Kabsch RMSD of backb atoms in res. *[1..166],for model 6 is: 3.527
> Kabsch RMSD of backb atoms in res. *[1..166],for model 7 is: 2.586 (*)
> Kabsch RMSD of backb atoms in res. *[1..166],for model 8 is: 3.887
> Kabsch RMSD of backb atoms in res. *[1..166],for model 9 is: 4.518
> Kabsch RMSD of backb atoms in res. *[1..166],for model 10 is: 3.579
> Kabsch RMSD of backb atoms in res. *[1..166],for model 11 is: 4.548
> Kabsch RMSD of backb atoms in res. *[1..166],for model 12 is: 3.339
> Kabsch RMSD of backb atoms in res. *[1..166],for model 13 is: 5.089
> Kabsch RMSD of backb atoms in res. *[1..166],for model 14 is: 3.091
> Kabsch RMSD of backb atoms in res. *[1..166],for model 15 is: 4.018
> Kabsch RMSD of backb atoms in res. *[1..166],for model 16 is: 3.157
> Kabsch RMSD of backb atoms in res. *[1..166],for model 17 is: 3.889
> Kabsch RMSD of backb atoms in res. *[1..166],for model 18 is: 3.967
> Kabsch RMSD of backb atoms in res. *[1..166],for model 19 is: 3.834
> Kabsch RMSD of backb atoms in res. *[1..166],for model 20 is: 4.161
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..166], is: 3.773
> Range of RMSD values to reference struct. is 2.586 to 5.089
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 1 is: 4.991
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 2 is: 3.656
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 3 is: 5.202
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 4 is: 3.833
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 5 is: 4.056
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 6 is: 4.253
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 7 is: 3.166 (*)
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 8 is: 4.428
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 9 is: 5.352
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 10 is: 4.300
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 11 is: 5.299
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 12 is: 3.957
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 13 is: 5.815
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 14 is: 3.788
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 15 is: 4.747
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 16 is: 3.752
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 17 is: 4.699
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 18 is: 4.637
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 19 is: 4.448
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 20 is: 4.773
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..166], is: 4.458
> Range of RMSD values to reference struct. is 3.166 to 5.815
Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues
RMSD Values
all residues ordered residues selected residues
All backbone atoms 3.8 1.5 1.5
All heavy atoms 4.5 1.9 1.9
Contact Map (constraints list and 3D Coordinates)
JPEG image of Contact Map for Constraints
JPEG image of Contact Map for Coordinates
Output from PROCHECK
Ramachandran Plot for all models
Text summary of Ramachandran Plot
+----------<<< P R O C H E C K S U M M A R Y >>>----------+
| |
| CTR107_NMR_em_bcr3_020.rin 0.0 2320 residues |
| |
*| Ramachandran plot: 92.7% core 6.5% allow 0.1% gener 0.7% disall |
| |
+| All Ramachandrans: 50 labelled residues (out of2320) |
*| Chi1-chi2 plots: 68 labelled residues (out of1220) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
8 -0.85
9 -0.07
10 -1.00
11 -0.44
12 -0.54
13 -0.58
14 -0.41
15 -0.78
16 -2.23
17 -0.60
18 -1.50
19 -0.89
20 -0.11
21 -1.33
22 -0.75
23 -0.92
24 -0.31
25 -0.34
26 -0.69
27 -1.34
31 0.07
32 -0.13
33 0.87
34 0.70
35 0.84
36 0.55
37 0.15
38 0.43
39 0.31
40 0.96
44 0.32
45 0.24
46 -0.71
47 0.39
48 0.12
49 -0.62
50 -0.88
51 -1.41
52 -0.19
53 0.02
54 -0.78
55 -0.32
56 -0.02
57 0.28
58 -0.97
59 -1.61
60 -0.45
61 0.01
62 -0.47
68 -0.18
69 -0.50
70 -0.63
71 -0.05
72 -1.50
73 -0.47
75 -0.02
76 -0.40
77 -1.32
78 -0.40
81 -0.56
82 -1.05
83 -0.74
87 -0.91
88 -0.75
89 -0.38
90 -0.69
91 -0.80
92 -0.52
93 -0.10
94 -0.39
95 -1.19
96 -0.45
97 -0.72
98 -1.27
99 -0.16
100 -0.18
101 -0.34
102 -0.38
103 -0.11
104 -1.24
105 -1.01
106 -0.36
109 -0.73
110 0.53
111 0.72
112 -0.18
113 1.07
114 0.98
115 0.47
116 0.79
117 0.79
118 0.43
119 0.78
120 0.65
121 0.93
122 0.71
123 0.57
124 -0.93
125 -0.91
126 -1.36
130 -1.02
131 -0.96
132 -0.37
133 -0.77
134 -0.46
138 -0.67
139 -0.79
140 -3.33
146 -1.19
147 -1.27
148 -0.81
149 -0.55
150 -1.27
151 -0.15
152 -0.35
153 -1.34
#Reported_Model_Average -0.412
#Overall_Average_Reported -0.412
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
8 -0.59
9 0.10
10 -0.43
11 -0.81
12 -0.35
13 -0.59
14 -0.73
15 -0.78
16 -2.23
17 -0.30
18 -1.50
19 -0.89
20 -0.67
21 -2.01
22 -1.22
23 -0.72
24 -0.26
25 -0.54
26 -0.62
27 -1.34
31 -0.81
32 -0.13
33 0.34
34 -0.18
35 -0.10
36 0.25
37 0.15
38 0.43
39 -0.07
40 0.05
44 0.14
45 -0.29
46 -0.79
47 0.39
48 0.12
49 -0.11
50 -0.88
51 -0.67
52 -0.10
53 0.02
54 -0.55
55 -0.32
56 -0.02
57 0.28
58 -0.76
59 -1.61
60 -0.70
61 -0.16
62 -0.20
68 -0.15
69 -0.81
70 -0.42
71 -0.21
72 -0.61
73 -0.61
75 -0.27
76 -0.40
77 -0.84
78 -0.72
81 -0.71
82 -0.65
83 -0.74
87 -0.75
88 -0.50
89 -0.57
90 -0.69
91 -1.09
92 -0.65
93 -0.10
94 -0.37
95 -1.19
96 -0.66
97 -0.72
98 -1.27
99 -0.22
100 -0.10
101 -0.91
102 -0.42
103 -0.68
104 -1.24
105 -1.01
106 -0.73
109 -0.65
110 0.35
111 0.72
112 -0.44
113 0.16
114 -0.19
115 0.47
116 0.10
117 0.25
118 -0.20
119 0.22
120 -0.08
121 0.03
122 -0.07
123 -0.19
124 -0.93
125 -0.69
126 -1.44
130 -0.56
131 -0.96
132 -0.50
133 -0.40
134 -0.54
138 -0.69
139 -0.79
140 -3.33
146 -0.52
147 -1.09
148 -0.75
149 -0.27
150 -0.68
151 -0.53
152 -0.38
153 -1.33
#Reported_Model_Average -0.514
#Overall_Average_Reported -0.514
Output from Verify3D
Verify3D Score over a window of $winsize_s residues
JPEG image for Verify3D Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
8 -0.80 -0.80 -0.74 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74 -0.74 -0.74 -0.74 -0.80 -0.74 -0.09 -0.74 -0.80 -0.74 -0.80 -0.74
9 1.29 1.29 -0.35 1.29 1.29 1.29 1.29 1.29 1.29 -0.35 1.29 1.29 1.29 -0.35 -0.35 1.29 1.29 1.29 1.29 1.29
10 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41
11 -0.81 -0.81 -0.81 -1.33 0.36 -1.33 -0.81 -0.81 -0.81 -0.81 -1.33 -0.81 -1.33 -1.33 -0.81 1.07 -1.33 -1.33 -1.33 0.14
12 0.55 0.55 0.35 0.55 0.55 0.55 0.55 0.35 0.55 0.35 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
13 0.41 0.41 0.41 0.41 -0.37 0.41 -0.37 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
14 0.29 0.29 0.29 -0.68 -0.68 0.77 0.29 0.29 0.29 -0.68 0.77 -0.68 0.29 0.29 0.29 0.29 0.77 0.29 0.29 0.29
15 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
16 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
17 -0.09 -0.74 -0.74 -0.09 -0.74 -0.74 -0.09 -0.09 -0.74 -0.09 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74
18 -1.01 -1.01 -1.01 -1.01 -1.01 -0.88 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01
19 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
20 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
21 0.36 0.14 0.14 0.14 0.36 0.14 0.14 0.14 0.14 0.14 0.36 -1.33 0.36 0.14 0.14 -0.81 0.14 0.14 0.14 0.14
22 0.09 0.09 1.07 1.07 -0.35 0.09 1.07 1.07 1.50 0.26 1.07 1.07 0.26 0.26 1.50 0.26 1.50 0.26 1.07 0.26
23 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19 0.19 0.19 0.84 -1.12 0.19 -1.12 0.19 0.19
24 0.95 0.79 0.95 0.95 0.79 0.95 0.95 0.95 0.95 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
25 0.10 0.10 0.10 -0.12 0.10 -0.12 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
26 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
27 0.14 0.14 -0.52 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.52 0.14 0.14 0.14 0.14 0.14 0.14
31 0.71 0.71 -0.30 -0.30 -0.46 -0.46 0.71 0.71 -0.30 -0.30 -0.46 -0.30 -0.30 1.30 0.71 -0.30 -0.30 -0.30 -0.30 -0.30
32 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
33 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 -0.38 0.16
34 -0.30 -0.30 0.71 0.16 -0.30 0.16 -0.46 -0.46 0.71 1.30 0.71 0.16 -0.46 0.16 0.16 -0.46 -0.30 0.16 -0.30 0.71
35 1.28 1.28 -0.22 0.87 1.28 0.87 0.87 0.87 0.87 0.87 0.87 -0.22 0.87 0.87 0.87 0.87 1.28 0.87 0.87 -0.22
36 0.60 0.60 0.62 0.62 0.60 0.60 0.62 0.60 0.60 0.60 0.62 0.62 0.60 0.60 0.62 0.62 0.60 0.62 0.60 0.60
37 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
38 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
39 0.86 -0.55 -0.55 -0.55 -0.55 0.50 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.88 -0.55 -0.55 -0.55 -0.88 0.50 -0.88
40 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 -0.06
44 -0.03 -0.03 0.25 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 0.25 -0.03 0.25 0.25 -0.03 -0.03 0.25 -0.03
45 -0.68 0.29 0.77 0.29 0.77 -0.68 0.29 0.29 0.77 0.77 0.29 0.29 -0.68 0.77 0.29 0.29 0.77 0.29 -0.33 0.29
46 1.06 1.06 1.06 0.77 1.06 1.06 1.06 0.77 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
47 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
48 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
49 0.25 0.25 -0.57 0.25 0.10 0.25 0.25 0.25 0.25 0.10 0.10 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
50 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
51 0.08 0.47 0.08 0.08 0.08 0.47 0.08 0.08 0.08 0.47 0.47 0.08 -0.72 0.47 0.08 0.08 0.08 0.08 0.08 0.08
52 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.59 0.34 0.34 0.34 0.34 0.34 0.34 0.34
53 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.64 0.64 0.64 0.64
54 0.34 0.34 0.34 0.34 0.59 0.17 0.34 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34
55 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
56 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.44 0.44 0.44 0.64 0.44 0.64 0.64 0.44 0.64 0.44 0.44 0.44 0.64
57 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.44 0.44 0.44 0.64 0.44 0.64 0.64 0.44 0.64 0.64
58 0.96 1.32 1.32 1.32 0.96 1.32 0.96 1.32 1.32 0.96 1.32 1.32 0.96 1.32 0.96 1.32 0.96 1.32 0.96 0.37
59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
60 -0.41 0.84 -0.41 -0.41 0.84 -0.41 -0.41 -0.41 0.84 0.84 -0.41 -0.41 -0.41 -0.41 -0.41 0.84 0.84 -0.41 -0.41 -0.41
61 1.30 0.17 0.17 0.17 0.17 1.30 1.30 0.17 0.17 0.17 0.17 0.17 1.30 0.17 1.30 1.30 1.30 1.30 1.09 1.30
62 -0.56 0.37 -0.56 0.37 0.37 -0.56 -0.56 1.32 0.37 -0.56 0.37 0.37 0.37 0.37 0.37 0.37 -0.56 0.37 0.37 -0.56
68 0.79 0.79 -0.17 0.79 0.79 -0.17 0.79 0.79 -0.17 0.79 0.79 -0.17 0.79 0.79 0.79 0.79 -0.17 0.79 0.79 -0.17
69 1.32 1.32 1.32 1.32 0.37 1.32 0.37 0.37 1.32 0.37 1.32 1.32 0.37 1.32 1.32 0.37 1.32 0.37 1.32 0.37
70 0.41 0.41 -0.42 0.41 -0.42 -0.42 -0.68 -0.68 -0.42 0.41 -0.68 -0.68 -0.20 -0.42 -0.20 -0.68 -0.68 -0.68 -0.42 -0.68
71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
72 -0.42 -0.42 -0.68 -0.68 -0.20 -0.20 -0.42 -0.20 -0.42 -0.20 -1.59 -0.20 -0.20 -0.20 -0.42 0.41 -0.42 -0.20 -0.20 -1.59
73 1.40 1.40 1.04 1.40 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.04 0.71 1.04 1.04 1.40 1.40 1.04 1.40 1.40
75 0.96 0.96 0.96 0.96 0.96 0.96 1.32 0.96 0.96 0.96 0.96 0.96 0.37 0.96 0.96 0.96 0.96 0.96 0.96 0.96
76 -0.65 -0.65 -0.77 -0.65 -0.65 -0.65 -0.86 -0.77 -0.86 -0.65 -0.65 -0.65 -0.65 -0.86 -0.86 -0.65 -0.86 -0.86 -0.65 -0.65
77 1.00 1.00 1.00 0.66 1.00 1.00 1.00 0.66 1.00 1.00 0.66 1.00 1.00 0.66 0.66 1.00 1.00 1.00 1.00 1.00
78 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.04 -0.59 0.28 0.28
81 0.66 1.00 0.66 0.66 1.00 -0.40 0.66 0.66 0.66 0.66 0.66 -0.40 -0.40 0.66 0.66 0.66 1.00 0.66 -0.40 0.66
82 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.28 0.04 0.04 0.28 0.04 0.04 0.04
83 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
87 0.44 1.18 1.18 0.71 0.71 1.18 0.44 0.44 0.71 1.18 0.44 0.44 0.16 1.18 0.71 0.71 0.44 1.18 0.44 1.18
88 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 -1.66 0.08 0.08 0.08 0.08 0.08
89 0.95 0.79 0.79 0.95 0.79 0.79 0.95 0.79 0.79 0.79 0.95 0.95 0.95 0.79 0.79 0.79 0.95 0.95 0.79 0.95
90 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
91 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33
92 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.55 0.55 0.55
93 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.64 0.25 0.64 0.25 0.64 0.44 0.64 0.44 0.44 0.44 0.44 0.44
94 0.17 0.34 0.34 0.17 0.34 0.34 0.17 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.34 0.34 0.17 0.17
95 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
96 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 -2.01 0.55 -2.01 0.55 0.55 0.55 0.55 0.55 0.55 0.55 -2.01
97 -0.52 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 -0.52 0.59 -0.52 0.59 -0.52 -0.52 0.59 0.59 -0.52
98 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
99 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
100 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
101 -1.33 -0.81 -1.33 -0.81 -0.81 -1.33 -1.33 -1.33 0.36 -0.81 -0.81 0.14 -1.33 0.14 -1.33 -0.81 -1.33 -1.33 -1.33 0.14
102 1.30 1.30 1.30 1.30 1.30 1.09 1.30 1.09 1.30 1.30 0.17 1.30 1.30 1.09 0.17 1.30 1.09 0.17 0.17 1.09
103 -0.35 -0.35 0.09 -0.35 -0.35 0.26 -0.35 -0.35 0.26 -0.35 0.26 0.26 -0.35 -0.35 1.07 0.26 -0.35 0.26 -0.35 0.26
104 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
105 0.25 0.44 0.44 0.25 0.25 0.25 0.25 0.44 0.44 0.44 0.64 0.64 0.64 0.25 0.25 0.25 0.25 0.25 0.25 0.25
106 1.25 -0.43 -0.43 -0.43 1.14 -1.40 -1.40 1.25 -0.43 -0.43 1.25 -0.43 1.25 -0.43 1.25 1.14 1.25 -0.43 1.14 -0.43
109 -0.54 0.93 0.81 0.81 -0.54 0.93 0.81 0.81 -0.28 0.93 0.81 0.81 -0.28 -0.28 -0.94 -0.28 0.81 -0.54 0.81 -0.28
110 -0.58 0.09 0.09 0.62 -0.43 -0.43 -0.43 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.60 0.62 0.60 0.60 0.60 0.60
111 0.44 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.44 -0.02 0.44 0.76 0.44 0.44 -0.02 -0.02 -0.02 0.44
112 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.30 0.74 0.74 0.74 0.74 0.41
113 0.27 0.86 0.86 0.27 0.27 0.86 -0.88 -0.88 0.86 0.86 0.27 0.27 0.86 0.50 0.86 0.86 0.86 0.86 0.86 0.50
114 -0.28 -0.28 -0.28 -0.28 0.29 0.29 -0.28 -0.28 0.29 -0.28 0.29 -0.28 0.29 -0.28 0.29 0.29 0.44 0.44 0.29 0.29
115 0.76 0.76 0.76 -0.02 -0.02 0.76 -0.02 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.44 0.76 -0.02 0.76 0.76
116 0.71 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30
117 0.87 -0.27 0.87 -0.27 0.87 -0.27 0.87 -0.27 -0.27 -0.27 -0.27 0.87 -0.27 0.87 -0.27 0.87 -0.27 -0.27 -0.27 -0.27
118 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.07 0.66 0.66 0.66 0.07 0.07 0.66 0.66
119 0.86 1.01 1.01 0.86 0.86 1.01 0.86 0.86 0.86 0.86 1.01 0.86 0.86 0.86 1.01 1.01 0.86 0.86 1.01 0.86
120 0.41 0.41 0.74 0.41 0.74 0.30 0.41 0.41 0.74 -0.29 0.74 0.41 0.74 0.30 0.41 -0.29 0.41 0.30 0.41 0.30
121 0.29 0.44 0.44 0.44 0.44 0.44 0.29 0.44 0.44 0.44 0.44 0.29 0.44 0.44 0.44 0.44 0.29 0.44 0.44 0.44
122 0.29 0.44 0.29 0.44 0.44 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.29 0.44 0.44 0.44 0.44
123 -0.58 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.58 -0.02 -0.58 -0.58 -0.58 -0.02 -1.76 -0.02 -0.02 -0.58 -0.58 -0.58 -0.02
124 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
125 -0.84 0.71 0.71 -0.84 0.71 -0.84 0.71 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 1.40 0.71 -1.63
126 0.23 0.51 0.23 0.51 0.23 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.23 0.23 0.51 0.34 0.23 0.34
130 -0.46 -0.59 0.28 -0.59 -1.13 -2.01 -1.13 -2.01 -1.13 -0.59 -2.01 0.28 -1.13 -0.59 -2.01 -0.46 -1.13 -2.01 -1.13 -1.13
131 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
132 1.30 0.17 0.17 1.30 1.30 1.30 1.30 0.17 0.17 1.30 1.30 0.17 0.17 1.30 1.30 0.17 1.30 0.17 0.17 1.30
133 -0.20 -0.42 -0.20 -0.20 -0.20 -0.20 -0.20 -1.59 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.42 -1.59 -0.20 -0.20
134 1.07 0.26 1.50 1.07 0.26 1.07 1.07 1.50 1.07 1.07 0.09 1.50 0.26 1.07 1.07 1.07 1.07 1.07 1.07 0.26
138 0.51 0.51 0.51 0.51 0.41 0.41 0.41 0.41 0.51 0.41 0.51 0.51 0.51 0.41 0.41 0.41 0.41 0.41 -0.26 0.41
139 0.64 0.44 0.44 0.25 0.44 0.44 0.64 0.64 0.44 0.64 0.64 0.64 0.64 0.44 0.44 0.64 0.64 0.44 0.44 0.64
140 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
146 0.25 0.25 0.25 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 -0.03 0.25 -0.03 0.25 0.25 0.25 -0.03 0.25 0.25 0.25
147 0.29 0.29 -0.68 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.77 0.77 0.29 0.77 0.29 0.29 0.29 0.29 0.29
148 0.84 0.19 0.19 0.84 0.19 0.84 0.19 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.84
149 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
150 0.84 0.84 0.84 0.84 -0.89 0.19 -0.89 0.84 0.84 0.19 0.84 0.84 0.84 0.84 -0.41 0.19 0.84 0.84 0.84 0.19
151 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18
152 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
153 1.07 1.07 1.07 1.07 1.07 1.07 0.36 0.36 1.07 1.07 1.07 1.07 1.07 0.36 0.36 0.36 0.36 0.36 1.07 1.07
#Reported_Model_Average 0.431 0.456 0.401 0.409 0.412 0.396 0.371 0.394 0.445 0.375 0.422 0.365 0.375 0.390 0.400 0.422 0.414 0.343 0.405 0.345
#Overall_Average_Reported 0.399
Output from ProsaII
ProsaII Score over a window of $winsize_s residues
JPEG image for ProsaII Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
8 -0.80 -0.80 -0.74 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74 -0.74 -0.74 -0.74 -0.80 -0.74 -0.09 -0.74 -0.80 -0.74 -0.80 -0.74
9 1.29 1.29 -0.35 1.29 1.29 1.29 1.29 1.29 1.29 -0.35 1.29 1.29 1.29 -0.35 -0.35 1.29 1.29 1.29 1.29 1.29
10 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41
11 -0.81 -0.81 -0.81 -1.33 0.36 -1.33 -0.81 -0.81 -0.81 -0.81 -1.33 -0.81 -1.33 -1.33 -0.81 1.07 -1.33 -1.33 -1.33 0.14
12 0.55 0.55 0.35 0.55 0.55 0.55 0.55 0.35 0.55 0.35 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
13 0.41 0.41 0.41 0.41 -0.37 0.41 -0.37 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
14 0.29 0.29 0.29 -0.68 -0.68 0.77 0.29 0.29 0.29 -0.68 0.77 -0.68 0.29 0.29 0.29 0.29 0.77 0.29 0.29 0.29
15 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
16 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
17 -0.09 -0.74 -0.74 -0.09 -0.74 -0.74 -0.09 -0.09 -0.74 -0.09 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74
18 -1.01 -1.01 -1.01 -1.01 -1.01 -0.88 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01
19 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
20 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
21 0.36 0.14 0.14 0.14 0.36 0.14 0.14 0.14 0.14 0.14 0.36 -1.33 0.36 0.14 0.14 -0.81 0.14 0.14 0.14 0.14
22 0.09 0.09 1.07 1.07 -0.35 0.09 1.07 1.07 1.50 0.26 1.07 1.07 0.26 0.26 1.50 0.26 1.50 0.26 1.07 0.26
23 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19 0.19 0.19 0.84 -1.12 0.19 -1.12 0.19 0.19
24 0.95 0.79 0.95 0.95 0.79 0.95 0.95 0.95 0.95 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
25 0.10 0.10 0.10 -0.12 0.10 -0.12 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
26 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
27 0.14 0.14 -0.52 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.52 0.14 0.14 0.14 0.14 0.14 0.14
31 0.71 0.71 -0.30 -0.30 -0.46 -0.46 0.71 0.71 -0.30 -0.30 -0.46 -0.30 -0.30 1.30 0.71 -0.30 -0.30 -0.30 -0.30 -0.30
32 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
33 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 -0.38 0.16
34 -0.30 -0.30 0.71 0.16 -0.30 0.16 -0.46 -0.46 0.71 1.30 0.71 0.16 -0.46 0.16 0.16 -0.46 -0.30 0.16 -0.30 0.71
35 1.28 1.28 -0.22 0.87 1.28 0.87 0.87 0.87 0.87 0.87 0.87 -0.22 0.87 0.87 0.87 0.87 1.28 0.87 0.87 -0.22
36 0.60 0.60 0.62 0.62 0.60 0.60 0.62 0.60 0.60 0.60 0.62 0.62 0.60 0.60 0.62 0.62 0.60 0.62 0.60 0.60
37 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
38 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
39 0.86 -0.55 -0.55 -0.55 -0.55 0.50 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.88 -0.55 -0.55 -0.55 -0.88 0.50 -0.88
40 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 -0.06
44 -0.03 -0.03 0.25 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 0.25 -0.03 0.25 0.25 -0.03 -0.03 0.25 -0.03
45 -0.68 0.29 0.77 0.29 0.77 -0.68 0.29 0.29 0.77 0.77 0.29 0.29 -0.68 0.77 0.29 0.29 0.77 0.29 -0.33 0.29
46 1.06 1.06 1.06 0.77 1.06 1.06 1.06 0.77 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
47 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
48 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
49 0.25 0.25 -0.57 0.25 0.10 0.25 0.25 0.25 0.25 0.10 0.10 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
50 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
51 0.08 0.47 0.08 0.08 0.08 0.47 0.08 0.08 0.08 0.47 0.47 0.08 -0.72 0.47 0.08 0.08 0.08 0.08 0.08 0.08
52 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.59 0.34 0.34 0.34 0.34 0.34 0.34 0.34
53 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.64 0.64 0.64 0.64
54 0.34 0.34 0.34 0.34 0.59 0.17 0.34 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34
55 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
56 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.44 0.44 0.44 0.64 0.44 0.64 0.64 0.44 0.64 0.44 0.44 0.44 0.64
57 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.44 0.44 0.44 0.64 0.44 0.64 0.64 0.44 0.64 0.64
58 0.96 1.32 1.32 1.32 0.96 1.32 0.96 1.32 1.32 0.96 1.32 1.32 0.96 1.32 0.96 1.32 0.96 1.32 0.96 0.37
59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
60 -0.41 0.84 -0.41 -0.41 0.84 -0.41 -0.41 -0.41 0.84 0.84 -0.41 -0.41 -0.41 -0.41 -0.41 0.84 0.84 -0.41 -0.41 -0.41
61 1.30 0.17 0.17 0.17 0.17 1.30 1.30 0.17 0.17 0.17 0.17 0.17 1.30 0.17 1.30 1.30 1.30 1.30 1.09 1.30
62 -0.56 0.37 -0.56 0.37 0.37 -0.56 -0.56 1.32 0.37 -0.56 0.37 0.37 0.37 0.37 0.37 0.37 -0.56 0.37 0.37 -0.56
68 0.79 0.79 -0.17 0.79 0.79 -0.17 0.79 0.79 -0.17 0.79 0.79 -0.17 0.79 0.79 0.79 0.79 -0.17 0.79 0.79 -0.17
69 1.32 1.32 1.32 1.32 0.37 1.32 0.37 0.37 1.32 0.37 1.32 1.32 0.37 1.32 1.32 0.37 1.32 0.37 1.32 0.37
70 0.41 0.41 -0.42 0.41 -0.42 -0.42 -0.68 -0.68 -0.42 0.41 -0.68 -0.68 -0.20 -0.42 -0.20 -0.68 -0.68 -0.68 -0.42 -0.68
71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
72 -0.42 -0.42 -0.68 -0.68 -0.20 -0.20 -0.42 -0.20 -0.42 -0.20 -1.59 -0.20 -0.20 -0.20 -0.42 0.41 -0.42 -0.20 -0.20 -1.59
73 1.40 1.40 1.04 1.40 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.04 0.71 1.04 1.04 1.40 1.40 1.04 1.40 1.40
75 0.96 0.96 0.96 0.96 0.96 0.96 1.32 0.96 0.96 0.96 0.96 0.96 0.37 0.96 0.96 0.96 0.96 0.96 0.96 0.96
76 -0.65 -0.65 -0.77 -0.65 -0.65 -0.65 -0.86 -0.77 -0.86 -0.65 -0.65 -0.65 -0.65 -0.86 -0.86 -0.65 -0.86 -0.86 -0.65 -0.65
77 1.00 1.00 1.00 0.66 1.00 1.00 1.00 0.66 1.00 1.00 0.66 1.00 1.00 0.66 0.66 1.00 1.00 1.00 1.00 1.00
78 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.04 -0.59 0.28 0.28
81 0.66 1.00 0.66 0.66 1.00 -0.40 0.66 0.66 0.66 0.66 0.66 -0.40 -0.40 0.66 0.66 0.66 1.00 0.66 -0.40 0.66
82 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.28 0.04 0.04 0.28 0.04 0.04 0.04
83 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
87 0.44 1.18 1.18 0.71 0.71 1.18 0.44 0.44 0.71 1.18 0.44 0.44 0.16 1.18 0.71 0.71 0.44 1.18 0.44 1.18
88 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 -1.66 0.08 0.08 0.08 0.08 0.08
89 0.95 0.79 0.79 0.95 0.79 0.79 0.95 0.79 0.79 0.79 0.95 0.95 0.95 0.79 0.79 0.79 0.95 0.95 0.79 0.95
90 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
91 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33
92 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.55 0.55 0.55
93 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.64 0.25 0.64 0.25 0.64 0.44 0.64 0.44 0.44 0.44 0.44 0.44
94 0.17 0.34 0.34 0.17 0.34 0.34 0.17 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.34 0.34 0.17 0.17
95 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
96 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 -2.01 0.55 -2.01 0.55 0.55 0.55 0.55 0.55 0.55 0.55 -2.01
97 -0.52 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 -0.52 0.59 -0.52 0.59 -0.52 -0.52 0.59 0.59 -0.52
98 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
99 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
100 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
101 -1.33 -0.81 -1.33 -0.81 -0.81 -1.33 -1.33 -1.33 0.36 -0.81 -0.81 0.14 -1.33 0.14 -1.33 -0.81 -1.33 -1.33 -1.33 0.14
102 1.30 1.30 1.30 1.30 1.30 1.09 1.30 1.09 1.30 1.30 0.17 1.30 1.30 1.09 0.17 1.30 1.09 0.17 0.17 1.09
103 -0.35 -0.35 0.09 -0.35 -0.35 0.26 -0.35 -0.35 0.26 -0.35 0.26 0.26 -0.35 -0.35 1.07 0.26 -0.35 0.26 -0.35 0.26
104 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
105 0.25 0.44 0.44 0.25 0.25 0.25 0.25 0.44 0.44 0.44 0.64 0.64 0.64 0.25 0.25 0.25 0.25 0.25 0.25 0.25
106 1.25 -0.43 -0.43 -0.43 1.14 -1.40 -1.40 1.25 -0.43 -0.43 1.25 -0.43 1.25 -0.43 1.25 1.14 1.25 -0.43 1.14 -0.43
109 -0.54 0.93 0.81 0.81 -0.54 0.93 0.81 0.81 -0.28 0.93 0.81 0.81 -0.28 -0.28 -0.94 -0.28 0.81 -0.54 0.81 -0.28
110 -0.58 0.09 0.09 0.62 -0.43 -0.43 -0.43 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.60 0.62 0.60 0.60 0.60 0.60
111 0.44 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.44 -0.02 0.44 0.76 0.44 0.44 -0.02 -0.02 -0.02 0.44
112 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.30 0.74 0.74 0.74 0.74 0.41
113 0.27 0.86 0.86 0.27 0.27 0.86 -0.88 -0.88 0.86 0.86 0.27 0.27 0.86 0.50 0.86 0.86 0.86 0.86 0.86 0.50
114 -0.28 -0.28 -0.28 -0.28 0.29 0.29 -0.28 -0.28 0.29 -0.28 0.29 -0.28 0.29 -0.28 0.29 0.29 0.44 0.44 0.29 0.29
115 0.76 0.76 0.76 -0.02 -0.02 0.76 -0.02 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.44 0.76 -0.02 0.76 0.76
116 0.71 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30
117 0.87 -0.27 0.87 -0.27 0.87 -0.27 0.87 -0.27 -0.27 -0.27 -0.27 0.87 -0.27 0.87 -0.27 0.87 -0.27 -0.27 -0.27 -0.27
118 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.07 0.66 0.66 0.66 0.07 0.07 0.66 0.66
119 0.86 1.01 1.01 0.86 0.86 1.01 0.86 0.86 0.86 0.86 1.01 0.86 0.86 0.86 1.01 1.01 0.86 0.86 1.01 0.86
120 0.41 0.41 0.74 0.41 0.74 0.30 0.41 0.41 0.74 -0.29 0.74 0.41 0.74 0.30 0.41 -0.29 0.41 0.30 0.41 0.30
121 0.29 0.44 0.44 0.44 0.44 0.44 0.29 0.44 0.44 0.44 0.44 0.29 0.44 0.44 0.44 0.44 0.29 0.44 0.44 0.44
122 0.29 0.44 0.29 0.44 0.44 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.29 0.44 0.44 0.44 0.44
123 -0.58 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.58 -0.02 -0.58 -0.58 -0.58 -0.02 -1.76 -0.02 -0.02 -0.58 -0.58 -0.58 -0.02
124 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
125 -0.84 0.71 0.71 -0.84 0.71 -0.84 0.71 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 1.40 0.71 -1.63
126 0.23 0.51 0.23 0.51 0.23 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.23 0.23 0.51 0.34 0.23 0.34
130 -0.46 -0.59 0.28 -0.59 -1.13 -2.01 -1.13 -2.01 -1.13 -0.59 -2.01 0.28 -1.13 -0.59 -2.01 -0.46 -1.13 -2.01 -1.13 -1.13
131 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
132 1.30 0.17 0.17 1.30 1.30 1.30 1.30 0.17 0.17 1.30 1.30 0.17 0.17 1.30 1.30 0.17 1.30 0.17 0.17 1.30
133 -0.20 -0.42 -0.20 -0.20 -0.20 -0.20 -0.20 -1.59 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.42 -1.59 -0.20 -0.20
134 1.07 0.26 1.50 1.07 0.26 1.07 1.07 1.50 1.07 1.07 0.09 1.50 0.26 1.07 1.07 1.07 1.07 1.07 1.07 0.26
138 0.51 0.51 0.51 0.51 0.41 0.41 0.41 0.41 0.51 0.41 0.51 0.51 0.51 0.41 0.41 0.41 0.41 0.41 -0.26 0.41
139 0.64 0.44 0.44 0.25 0.44 0.44 0.64 0.64 0.44 0.64 0.64 0.64 0.64 0.44 0.44 0.64 0.64 0.44 0.44 0.64
140 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
146 0.25 0.25 0.25 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 -0.03 0.25 -0.03 0.25 0.25 0.25 -0.03 0.25 0.25 0.25
147 0.29 0.29 -0.68 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.77 0.77 0.29 0.77 0.29 0.29 0.29 0.29 0.29
148 0.84 0.19 0.19 0.84 0.19 0.84 0.19 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.84
149 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
150 0.84 0.84 0.84 0.84 -0.89 0.19 -0.89 0.84 0.84 0.19 0.84 0.84 0.84 0.84 -0.41 0.19 0.84 0.84 0.84 0.19
151 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18
152 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
153 1.07 1.07 1.07 1.07 1.07 1.07 0.36 0.36 1.07 1.07 1.07 1.07 1.07 0.36 0.36 0.36 0.36 0.36 1.07 1.07
#Reported_Model_Average 0.431 0.456 0.401 0.409 0.412 0.396 0.371 0.394 0.445 0.375 0.422 0.365 0.375 0.390 0.400 0.422 0.414 0.343 0.405 0.345
#Overall_Average_Reported 0.399
Output from MolProbity
VdW violations from MAGE
JPEG image for MAGE VdW violation
Table of MAGE VdW violations for ordered residues across all models
#mage_clash
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
8.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1
9.000 0 0 0 1 1 0 0 0 1 1 0 0 0 1 0 3 1 2 0 0
10.000 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 2
11.000 1 3 3 3 2 2 2 3 1 2 3 2 1 1 3 2 3 1 10 5
12.000 1 0 5 0 0 2 1 0 0 5 0 0 0 0 0 0 1 2 0 1
13.000 2 1 2 1 1 0 0 2 1 3 0 0 1 2 3 1 2 0 1 0
14.000 1 0 0 1 0 1 1 0 0 0 1 1 2 0 2 1 2 0 0 0
15.000 0 0 0 0 0 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0
16.000 1 1 1 1 1 2 0 0 2 1 0 2 2 0 0 1 3 2 2 1
17.000 0 0 2 2 0 1 1 1 2 1 1 2 1 0 0 0 0 0 0 0
18.000 0 0 2 1 0 1 1 1 2 0 1 2 2 0 1 0 1 0 0 0
19.000 1 0 0 1 2 1 0 0 0 0 2 1 2 1 0 3 1 0 0 2
20.000 6 3 3 1 2 0 4 3 3 1 3 2 2 2 7 7 0 6 3 2
21.000 2 1 8 5 4 0 4 1 5 4 5 0 3 5 3 2 2 5 4 6
22.000 4 1 1 3 1 1 3 3 4 4 3 3 3 2 5 4 3 3 7 1
23.000 4 6 1 2 1 0 3 1 1 1 2 1 0 2 1 0 2 2 7 4
24.000 1 1 1 2 0 2 5 1 2 0 0 0 0 1 1 0 0 1 0 1
25.000 3 0 0 1 2 1 3 0 1 0 0 0 1 1 1 4 1 1 2 4
26.000 1 0 2 3 0 0 1 1 2 0 0 1 0 1 2 2 0 1 1 0
27.000 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
31.000 0 3 0 1 0 0 1 2 1 1 1 0 2 3 10 1 1 1 0 0
32.000 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 0
33.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
34.000 3 0 2 4 2 1 2 0 2 1 0 0 1 0 3 1 0 2 2 0
35.000 1 2 0 0 0 0 1 0 1 0 0 0 0 2 0 2 0 2 0 0
36.000 0 0 1 0 0 0 2 0 0 0 0 2 0 0 1 1 1 2 0 0
37.000 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0
38.000 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 1 1 0
39.000 1 2 0 0 1 0 2 0 0 1 0 1 2 1 0 5 0 3 0 0
40.000 0 0 1 0 0 0 0 0 0 0 0 1 0 3 1 0 0 1 0 0
44.000 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 1 1 0 1
45.000 1 4 0 0 2 1 0 0 1 0 4 2 4 2 1 0 0 0 1 5
46.000 1 1 0 2 0 1 1 0 0 1 0 2 4 0 1 0 2 2 0 0
47.000 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 1 1 0 0
48.000 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
49.000 0 1 0 0 1 1 1 1 0 1 2 0 0 0 0 0 0 1 0 0
50.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
51.000 0 3 0 2 3 0 4 0 0 0 0 1 10 0 0 1 1 3 2 0
52.000 0 1 0 1 1 0 1 1 0 0 1 0 1 0 0 0 1 1 0 1
53.000 0 1 0 0 1 2 0 2 0 0 2 0 1 1 0 0 2 2 0 1
54.000 0 0 0 0 4 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0
55.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
56.000 4 1 1 2 0 0 0 2 4 3 0 1 0 1 0 4 0 1 0 3
57.000 1 2 2 0 2 1 1 1 0 3 0 1 3 2 0 3 0 0 1 2
58.000 1 2 1 2 1 4 3 2 2 2 2 0 1 0 5 4 2 0 3 0
59.000 0 1 2 2 0 1 2 2 2 0 2 2 0 0 1 1 1 2 0 3
60.000 1 3 0 0 4 2 3 8 3 1 5 0 4 3 5 1 2 3 7 0
61.000 2 1 1 2 4 2 0 3 1 3 5 0 4 3 0 4 3 2 2 1
62.000 1 1 2 3 2 0 1 3 4 3 1 2 2 1 3 0 2 4 1 2
68.000 0 0 1 0 1 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0
69.000 1 0 1 2 4 3 0 1 1 1 0 0 3 3 2 5 0 1 3 0
70.000 2 2 1 2 1 0 2 2 2 2 2 1 2 2 1 0 2 4 0 2
71.000 3 1 0 3 1 1 3 1 4 2 2 0 1 3 3 1 2 1 0 1
72.000 2 2 1 2 4 2 5 6 2 4 6 1 3 3 6 1 2 0 3 2
73.000 4 1 1 2 1 2 2 2 3 0 2 1 0 1 2 2 2 4 2 1
75.000 2 1 2 1 3 3 1 3 0 3 1 2 3 1 2 5 3 0 3 0
76.000 0 0 2 1 3 3 0 2 1 2 1 1 2 2 1 4 1 1 1 0
77.000 0 0 2 0 2 0 3 2 2 0 0 1 3 1 0 2 1 6 1 3
78.000 1 2 0 0 3 0 4 0 0 0 0 0 2 0 0 0 0 3 0 0
81.000 1 4 1 1 5 0 4 1 1 1 1 0 1 0 0 2 0 3 0 1
82.000 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 1
83.000 1 1 0 0 1 0 0 0 0 0 3 0 3 1 0 2 0 2 0 0
87.000 4 3 1 2 0 5 1 2 7 3 0 2 8 1 5 4 2 5 4 4
88.000 1 1 0 0 1 0 0 0 0 0 2 0 0 0 0 1 2 1 0 0
89.000 2 1 1 1 1 0 2 1 0 0 1 0 2 2 2 1 0 0 2 0
90.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0
91.000 0 3 0 1 0 0 0 1 1 0 0 8 0 0 1 1 2 0 0 1
92.000 1 1 0 1 0 1 0 0 0 0 0 1 1 1 0 0 2 0 2 1
93.000 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 2 0 0 1 1
94.000 1 0 1 1 1 1 0 0 0 1 0 1 1 0 0 1 2 1 1 0
95.000 1 1 0 0 0 0 0 1 1 0 0 0 0 1 1 1 1 0 1 0
96.000 1 1 2 3 1 1 4 5 0 1 1 1 2 1 0 1 3 1 0 3
97.000 0 0 0 0 0 0 1 2 1 0 0 0 1 0 1 0 1 0 1 1
98.000 3 0 2 3 3 3 2 4 1 2 2 0 2 1 0 0 2 3 5 0
99.000 0 1 0 1 1 1 1 2 1 2 0 0 0 1 1 1 1 2 0 1
100.000 0 0 3 1 1 0 0 0 1 1 0 0 1 1 1 1 0 1 1 2
101.000 1 1 0 0 2 3 2 0 4 2 5 1 0 4 1 0 1 7 2 0
102.000 0 2 1 1 0 0 1 1 2 0 1 0 0 0 6 0 3 0 1 0
103.000 1 2 1 0 2 3 1 1 2 1 7 2 1 0 0 3 0 7 0 2
104.000 1 2 1 0 0 0 0 0 1 0 3 0 1 0 0 0 1 0 0 0
105.000 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 0 0 0 0
106.000 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 1 3 0 1 1
109.000 1 1 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 3
110.000 7 2 3 4 0 1 0 0 0 0 0 0 0 3 0 0 0 2 2 0
111.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
112.000 1 1 6 1 0 1 4 1 2 0 1 1 0 1 2 1 0 1 2 2
113.000 2 2 3 4 3 1 0 1 0 2 0 2 0 4 0 0 0 4 2 1
114.000 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0
115.000 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
116.000 6 2 2 3 1 0 4 3 0 1 2 0 5 6 0 3 4 4 5 1
117.000 0 2 3 0 2 0 0 0 0 0 1 0 0 2 0 0 0 2 0 1
118.000 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
119.000 3 2 0 0 2 1 2 3 1 2 0 1 0 4 0 1 0 1 5 0
120.000 5 0 4 4 3 0 6 4 2 2 1 1 2 1 0 1 1 5 3 6
121.000 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
122.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
123.000 5 0 0 0 0 0 0 3 1 0 0 0 0 2 0 1 0 0 2 0
124.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
125.000 4 1 1 2 1 1 2 0 3 0 0 0 0 1 0 3 2 7 0 2
126.000 2 0 0 2 0 1 0 0 1 2 0 1 2 1 0 1 2 0 1 4
130.000 1 2 0 2 1 0 0 0 4 1 2 1 2 3 4 1 2 2 0 2
131.000 0 0 1 0 1 1 1 1 0 0 1 0 1 0 0 2 2 0 1 1
132.000 1 1 0 1 1 1 2 7 0 0 1 2 2 1 2 1 1 1 4 3
133.000 0 2 3 0 1 1 1 4 0 1 1 2 2 1 2 1 2 2 1 1
134.000 2 2 1 5 1 4 3 1 4 4 3 1 2 1 4 5 3 0 4 1
138.000 1 2 1 1 1 1 0 1 0 0 1 1 1 0 0 1 0 0 1 0
139.000 3 2 1 3 1 1 1 2 2 0 1 3 2 1 0 3 4 1 1 1
140.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
146.000 0 0 0 0 1 2 2 1 1 0 1 1 1 0 0 1 0 0 1 2
147.000 4 7 0 1 0 0 1 4 2 1 1 4 1 1 0 2 7 4 2 2
148.000 0 0 1 0 2 2 3 1 0 0 1 1 4 0 1 2 1 3 3 0
149.000 1 0 1 1 1 0 0 2 1 1 2 0 0 0 4 2 2 0 1 0
150.000 3 1 1 1 0 3 1 0 4 2 2 1 1 5 2 0 1 1 1 1
151.000 0 4 4 2 3 1 1 0 0 1 0 2 1 3 3 0 2 1 1 2
152.000 2 1 1 1 1 2 0 3 1 0 1 0 1 2 0 0 1 1 2 3
153.000 5 1 0 2 4 0 3 0 2 2 3 0 9 9 1 1 4 2 12 1
#Reported_Model_Average 1.224 1.043 0.974 1.086 1.043 0.776 1.181 1.103 1.043 0.836 1.017 0.724 1.267 1.129 1.060 1.172 1.078 1.379 1.293 1.009
#Overall_Average_Reported 1.072
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 87 VAL 2HG2 :A 22 ILE HB : -0.965: 62
: 2479:A 43 LEU 2HD2 :A 45 LEU 3HD2 : -0.767: 64
: 2479:A 89 THR HA :A 20 LEU HA : -0.693: 43
: 2479:A 43 LEU 1HD2 :A 87 VAL HB : -0.679: 74
: 2479:A 89 THR 3HG2 :A 20 LEU 2HB : -0.646: 73
: 2479:A 23 ARG 2HD :A 70 GLU OE1 : -0.562: 43
: 2479:A 23 ARG O :A 86 ARG 2HD : -0.530: 14
: 2479:A 20 LEU 1HD2 :A 46 LEU 2HD2 : -0.510: 74
: 2479:A 86 ARG 1HG :A 22 ILE 2HG1 : -0.508: 54
: 2479:A 87 VAL 2HG2 :A 22 ILE CB : -0.506: 62
: 2479:A 22 ILE HB :A 87 VAL CG2 : -0.489: 62
: 2479:A 70 GLU HA :A 25 GLN HA : -0.457: 64
: 2479:A 43 LEU 2HD1 :A 20 LEU 3HD1 : -0.455: 63
: 2479:A 20 LEU 2HD1 :A 20 LEU C : -0.451: 43
: 2479:A 43 LEU 3HD2 :A 43 LEU HA : -0.440: 15
: 2479:A 25 GLN H :A 25 GLN CD : -0.423: 62
: 2479:A 23 ARG 1HH1 :A 23 ARG 2HD : -0.405: 43
: 2479:A 139 PRO HA :A 147 LEU 1HD2 : -0.920: 24
: 2479:A 139 PRO HA :A 147 LEU CD2 : -0.543: 24
: 2479:A 103 ILE HA :A 147 LEU O : -0.524: 74
: 2479:A 138 ASN OD1 :A 139 PRO 1HD : -0.502: 74
: 2479:A 144 PRO HA :A 147 LEU 3HD2 : -0.461: 73
: 2479:A 104 GLY 1HA :A 145 ASP HA : -0.822: 40
: 2479:A 113 TYR HD2 :A 110 GLU HA : -0.818: 63
: 2479:A 110 GLU 1HG :A 162 HIS HA : -0.814: 35
: 2479:A 110 GLU HA :A 113 TYR CD2 : -0.499: 63
: 2479:A 110 GLU 1HG :A 162 HIS CA : -0.485: 35
: 2479:A 161 HIS CD2 :A 110 GLU 2HG : -0.480: 35
: 2479:A 110 GLU H :A 110 GLU CD : -0.459: 41
: 2479:A 34 LEU HG :A 73 PHE HZ : -0.787: 45
: 2479:A 34 LEU 2HD2 :A 26 THR 1HG2 : -0.739: 53
: 2479:A 73 PHE CE2 :A 38 GLY 2HA : -0.637: 53
: 2479:A 34 LEU HG :A 73 PHE CZ : -0.533: 45
: 2479:A 73 PHE CE2 :A 35 PHE HA : -0.434: 62
: 2479:A 120 VAL 1HG2 :A 155 LEU 2HB : -0.776: 63
: 2479:A 116 LEU HA :A 119 TRP CD1 : -0.667: 62
: 2479:A 119 TRP HD1 :A 116 LEU HA : -0.645: 62
: 2479:A 125 PHE HD2 :A 123 ASN 2HB : -0.636: 71
: 2479:A 120 VAL HA :A 123 ASN 2HD2 : -0.630: 41
: 2479:A 123 ASN ND2 :A 120 VAL HA : -0.584: 41
: 2479:A 98 ALA H :A 155 LEU 1HD2 : -0.550: 61
: 2479:A 98 ALA O :A 152 SER HA : -0.550: 75
: 2479:A 125 PHE CD2 :A 123 ASN 2HB : -0.521: 71
: 2479:A 132 TYR 1HB :A 152 SER 1HB : -0.520: 73
: 2479:A 116 LEU 2HD2 :A 153 LEU 1HD1 : -0.515: 5
: 2479:A 116 LEU 2HB :A 153 LEU 1HD2 : -0.512: 35
: 2479:A 119 TRP HH2 :A 11 LEU 1HB : -0.508: 62
: 2479:A 126 ASP O :A 155 LEU 1HB : -0.464: 52
: 2479:A 120 VAL 2HG1 :A 116 LEU O : -0.462: 50
: 2479:A 120 VAL 3HG2 :A 125 PHE 1HB : -0.456: 63
: 2479:A 125 PHE HD2 :A 123 ASN CB : -0.453: 71
: 2479:A 153 LEU 3HD1 :A 153 LEU N : -0.447: 74
: 2479:A 116 LEU 2HD2 :A 153 LEU CD1 : -0.412: 5
: 2479:A 155 LEU 1HB :A 126 ASP C : -0.410: 73
: 2479:A 155 LEU 1HD2 :A 98 ALA N : -0.408: 61
: 2479:A 127 LEU 2HD1 :A 127 LEU H : -0.749: 75
: 2479:A 127 LEU H :A 127 LEU CD1 : -0.527: 75
: 2479:A 56 PRO 1HG :A 136 LEU HG : -0.675: 23
: 2479:A 136 LEU HA :A 56 PRO 2HB : -0.452: 70
: 2479:A 56 PRO HA :A 57 PRO 2HD : -0.423: 36
: 2479:A 136 LEU HG :A 56 PRO CG : -0.407: 23
: 2479:A 83 GLY 2HA :A 88 VAL HA : -0.671: 74
: 2479:A 21 LEU 2HB :A 74 GLY H : -0.633: 43
: 2479:A 21 LEU 2HD2 :A 72 GLU 2HB : -0.600: 63
: 2479:A 72 GLU 1HB :A 60 ARG 2HG : -0.555: 63
: 2479:A 109 ILE O :A 112 VAL 2HG1 : -0.626: 54
: 2479:A 101 LEU HA :A 150 ARG HA : -0.609: 65
: 2479:A 150 ARG O :A 150 ARG 2HG : -0.471: 24
: 2479:A 61 TYR 2HB :A 71 VAL 2HG1 : -0.576: 53
: 2479:A 71 VAL 2HG1 :A 61 TYR CB : -0.516: 53
: 2479:A 24 THR O :A 71 VAL 2HG2 : -0.408: 64
: 2479:A 69 PHE HE1 :A 28 MET 2HG : -0.557: 54
: 2479:A 154 MET CE :A 64 MET HA : -0.544: 54
: 2479:A 64 MET 2HG :A 154 MET SD : -0.410: 41
: 2479:A 96 LYS 2HD :A 13 GLU 2HB : -0.527: 64
: 2479:A 95 GLY O :A 13 GLU HA : -0.443: 41
: 2479:A 158 SER H :A 157 GLU CD : -0.522: 33
: 2479:A 92 THR O :A 16 PRO HA : -0.506: 13
: 2479:A 62 PHE HD1 :A 130 GLU 2HB : -0.474: 54
: 2479:A 134 ILE H :A 149 THR 3HG2 : -0.470: 60
: 2479:A 58 PHE 2HB :A 134 ILE 2HD1 : -0.446: 73
: 2479:A 12 LYS 1HD :A 10 GLU OE2 : -0.457: 20
: 2479:A 78 GLU OE1 :A 81 VAL 3HG2 : -0.432: 63
: 2479:A 19 ALA HA :A 75 PHE O : -0.430: 33
: 2479:A 75 PHE CZ :A 39 TYR HD1 : -0.416: 70
: 2479:A 14 LEU O :A 94 SER HA : -0.409: 73
: 2479:A 118 LYS O :A 121 ASP 2HB : -0.400: 23
#sum2 ::35.09 clashscore : 15.74 clashscore B<40
#summary::2479 atoms:1207 atoms B<40:280532 potential dots:17530.0 A^2:87 bumps:19 bumps B<40:365.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 155 LEU 1HB :A 127 LEU 1HB : -0.925: 75
: 2479:A 154 MET SD :A 129 GLY 1HA : -0.715: 76
: 2479:A 155 LEU 3HD1 :A 125 PHE 2HB : -0.703: 61
: 2479:A 130 GLU 1HB :A 127 LEU 1HD2 : -0.636: 72
: 2479:A 153 LEU 3HD1 :A 154 MET H : -0.629: 40
: 2479:A 155 LEU O :A 154 MET 1HG : -0.622: 71
: 2479:A 155 LEU O :A 156 HIS 2HB : -0.582: 13
: 2479:A 154 MET CG :A 129 GLY 1HA : -0.558: 76
: 2479:A 129 GLY 1HA :A 154 MET 2HG : -0.522: 76
: 2479:A 60 ARG 1HH2 :A 130 GLU CD : -0.442: 65
: 2479:A 155 LEU O :A 156 HIS CB : -0.428: 13
: 2479:A 60 ARG 2HD :A 60 ARG C : -0.402: 51
: 2479:A 72 GLU 1HG :A 23 ARG HA : -0.863: 41
: 2479:A 23 ARG 1HD :A 23 ARG H : -0.749: 72
: 2479:A 72 GLU 1HG :A 23 ARG CA : -0.571: 41
: 2479:A 23 ARG H :A 23 ARG CD : -0.534: 72
: 2479:A 144 PRO 1HB :A 104 GLY 1HA : -0.797: 72
: 2479:A 147 LEU 3HD2 :A 142 THR 3HG2 : -0.675: 43
: 2479:A 104 GLY 1HA :A 144 PRO CB : -0.562: 72
: 2479:A 147 LEU O :A 147 LEU 2HD1 : -0.533: 50
: 2479:A 147 LEU 3HD1 :A 137 ASP 1HB : -0.531: 50
: 2479:A 138 ASN O :A 142 THR 2HG2 : -0.526: 41
: 2479:A 137 ASP OD2 :A 139 PRO 2HD : -0.487: 51
: 2479:A 147 LEU 3HD1 :A 137 ASP CB : -0.482: 50
: 2479:A 147 LEU CG :A 144 PRO HA : -0.464: 72
: 2479:A 147 LEU HG :A 144 PRO HA : -0.463: 72
: 2479:A 139 PRO 1HD :A 138 ASN HA : -0.416: 60
: 2479:A 160 GLU 2HG :A 162 HIS HD2 : -0.715: 45
: 2479:A 151 VAL 3HG2 :A 133 GLU 2HB : -0.712: 52
: 2479:A 151 VAL HB :A 102 TYR HE1 : -0.607: 42
: 2479:A 151 VAL HA :A 133 GLU HA : -0.497: 62
: 2479:A 102 TYR CE1 :A 151 VAL HB : -0.480: 42
: 2479:A 134 ILE 1HG1 :A 58 PHE HD1 : -0.672: 72
: 2479:A 134 ILE 1HG1 :A 58 PHE CD1 : -0.486: 72
: 2479:A 103 ILE CG2 :A 145 ASP HA : -0.651: 62
: 2479:A 103 ILE 3HG2 :A 145 ASP HA : -0.470: 62
: 2479:A 81 VAL 3HG2 :A 78 GLU OE2 : -0.608: 61
: 2479:A 112 VAL 2HG2 :A 109 ILE O : -0.608: 44
: 2479:A 51 LYS 2HG :A 81 VAL 2HG2 : -0.509: 74
: 2479:A 80 GLY H :A 78 GLU CD : -0.447: 64
: 2479:A 81 VAL 2HG2 :A 51 LYS CG : -0.433: 74
: 2479:A 81 VAL 2HG2 :A 51 LYS CB : -0.407: 61
: 2479:A 1 MET HA :A 108 GLU OE2 : -0.605: 21
: 2479:A 114 ASP O :A 117 MET 1HG : -0.603: 64
: 2479:A 118 LYS N :A 117 MET 2HG : -0.432: 70
: 2479:A 113 TYR HD2 :A 110 GLU HA : -0.586: 40
: 2479:A 110 GLU HA :A 113 TYR CD2 : -0.430: 40
: 2479:A 87 VAL HB :A 45 LEU 1HD2 : -0.574: 61
: 2479:A 89 THR HA :A 20 LEU 3HD2 : -0.574: 71
: 2479:A 87 VAL 3HG2 :A 86 ARG 2HG : -0.562: 71
: 2479:A 45 LEU 2HD2 :A 84 SER H : -0.474: 61
: 2479:A 45 LEU 2HD2 :A 84 SER N : -0.453: 61
: 2479:A 86 ARG O :A 22 ILE 3HD1 : -0.451: 53
: 2479:A 20 LEU 2HB :A 87 VAL CG1 : -0.448: 71
: 2479:A 45 LEU O :A 49 GLN 2HG : -0.410: 31
: 2479:A 21 LEU 2HD1 :A 20 LEU C : -0.407: 63
: 2479:A 11 LEU 1HD1 :A 96 LYS 2HB : -0.569: 61
: 2479:A 119 TRP HH2 :A 11 LEU 1HB : -0.478: 45
: 2479:A 11 LEU 1HB :A 119 TRP CH2 : -0.409: 45
: 2479:A 70 GLU 2HB :A 62 PHE 2HB : -0.565: 75
: 2479:A 61 TYR HA :A 70 GLU O : -0.526: 64
: 2479:A 152 SER HA :A 99 SER HA : -0.507: 51
: 2479:A 39 TYR HD1 :A 35 PHE O : -0.505: 51
: 2479:A 38 GLY O :A 42 ILE HB : -0.459: 73
: 2479:A 35 PHE HD1 :A 31 LEU O : -0.419: 32
: 2479:A 31 LEU 3HD2 :A 31 LEU C : -0.417: 34
: 2479:A 42 ILE CG2 :A 39 TYR HA : -0.403: 32
: 2479:A 95 GLY O :A 13 GLU HA : -0.499: 65
: 2479:A 101 LEU HA :A 150 ARG HA : -0.468: 44
: 2479:A 43 LEU 2HD2 :A 46 LEU 3HD1 : -0.462: 31
: 2479:A 75 PHE HD2 :A 73 PHE HD2 : -0.452: 4
: 2479:A 136 LEU N :A 136 LEU 3HD2 : -0.443: 71
: 2479:A 136 LEU H :A 136 LEU 3HD2 : -0.409: 71
: 2479:A 92 THR HA :A 93 PRO 2HD : -0.442: 62
: 2479:A 16 PRO 2HB :A 91 LEU 2HD1 : -0.439: 50
: 2479:A 91 LEU N :A 91 LEU 3HD2 : -0.433: 53
: 2479:A 135 TYR O :A 57 PRO 1HD : -0.436: 60
: 2479:A 57 PRO 2HD :A 56 PRO HA : -0.422: 61
: 2479:A 132 TYR HA :A 59 ALA O : -0.428: 61
: 2479:A 166 HIS 1HB :A 165 HIS O : -0.415: 64
: 2479:A 71 VAL 3HG2 :A 24 THR HB : -0.413: 25
: 2479:A 83 GLY 2HA :A 88 VAL HA : -0.412: 26
: 2479:A 116 LEU 3HD1 :A 116 LEU HA : -0.410: 45
: 2479:A 53 PRO 2HD :A 52 SER HA : -0.404: 54
#sum2 ::33.88 clashscore : 8.92 clashscore B<40
#summary::2479 atoms:1233 atoms B<40:280909 potential dots:17560.0 A^2:84 bumps:11 bumps B<40:394.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 112 VAL 3HG2 :A 100 SER 2HB : -0.933: 53
: 2479:A 73 PHE HA :A 59 ALA HA : -0.886: 61
: 2479:A 151 VAL 3HG1 :A 112 VAL 1HG2 : -0.834: 53
: 2479:A 109 ILE O :A 112 VAL 2HG1 : -0.680: 41
: 2479:A 113 TYR HD1 :A 110 GLU HA : -0.591: 52
: 2479:A 110 GLU HA :A 113 TYR CD1 : -0.575: 52
: 2479:A 112 VAL 3HG2 :A 100 SER CB : -0.528: 53
: 2479:A 110 GLU 1HG :A 108 GLU 1HB : -0.482: 44
: 2479:A 133 GLU CG :A 59 ALA 3HB : -0.453: 4
: 2479:A 112 VAL 1HG2 :A 151 VAL CG1 : -0.449: 53
: 2479:A 100 SER 2HB :A 112 VAL CG2 : -0.442: 53
: 2479:A 151 VAL HA :A 133 GLU HA : -0.435: 14
: 2479:A 109 ILE 3HG2 :A 113 TYR HE1 : -0.426: 63
: 2479:A 151 VAL 3HG2 :A 133 GLU 2HB : -0.412: 71
: 2479:A 128 SER 2HB :A 155 LEU 3HD2 : -0.880: 54
: 2479:A 155 LEU 3HD2 :A 128 SER CB : -0.420: 54
: 2479:A 135 TYR 1HB :A 57 PRO 1HG : -0.851: 44
: 2479:A 58 PHE CE1 :A 76 PRO 2HG : -0.573: 52
: 2479:A 57 PRO 2HB :A 75 PHE CE2 : -0.561: 64
: 2479:A 75 PHE HA :A 76 PRO 2HD : -0.407: 73
: 2479:A 12 LYS 2HE :A 12 LYS HA : -0.843: 34
: 2479:A 12 LYS HA :A 12 LYS CE : -0.566: 34
: 2479:A 11 LEU C :A 11 LEU 3HD2 : -0.468: 23
: 2479:A 11 LEU 3HD2 :A 12 LYS N : -0.419: 75
: 2479:A 131 ALA 3HB :A 61 TYR 1HB : -0.780: 53
: 2479:A 137 ASP 2HB :A 142 THR 1HG2 : -0.700: 74
: 2479:A 142 THR 1HG2 :A 137 ASP CB : -0.571: 74
: 2479:A 142 THR CG2 :A 137 ASP 2HB : -0.552: 74
: 2479:A 136 LEU HA :A 56 PRO CB : -0.510: 41
: 2479:A 136 LEU O :A 137 ASP 1HB : -0.483: 25
: 2479:A 143 ALA 3HB :A 142 THR O : -0.443: 62
: 2479:A 24 THR 1HG2 :A 34 LEU 1HD2 : -0.694: 65
: 2479:A 68 THR HA :A 26 THR O : -0.463: 12
: 2479:A 34 LEU HG :A 26 THR HB : -0.410: 45
: 2479:A 138 ASN OD1 :A 139 PRO 1HD : -0.685: 70
: 2479:A 98 ALA 1HB :A 116 LEU 2HD2 : -0.669: 63
: 2479:A 120 VAL 3HG2 :A 125 PHE 1HB : -0.649: 42
: 2479:A 120 VAL 2HG1 :A 116 LEU O : -0.619: 32
: 2479:A 156 HIS H :A 120 VAL 1HG1 : -0.565: 32
: 2479:A 156 HIS N :A 120 VAL 1HG1 : -0.518: 32
: 2479:A 117 MET CE :A 117 MET HA : -0.516: 44
: 2479:A 98 ALA O :A 152 SER HA : -0.488: 30
: 2479:A 117 MET 3HE :A 156 HIS HA : -0.473: 44
: 2479:A 127 LEU 2HD1 :A 127 LEU H : -0.622: 44
: 2479:A 72 GLU 1HG :A 23 ARG HA : -0.614: 45
: 2479:A 77 VAL HB :A 81 VAL 1HG2 : -0.605: 44
: 2479:A 20 LEU 3HD1 :A 77 VAL 1HG1 : -0.575: 53
: 2479:A 21 LEU 2HB :A 74 GLY 1HA : -0.467: 53
: 2479:A 21 LEU 2HD2 :A 21 LEU C : -0.461: 51
: 2479:A 20 LEU O :A 74 GLY 1HA : -0.460: 33
: 2479:A 74 GLY CA :A 21 LEU 2HB : -0.445: 53
: 2479:A 21 LEU N :A 21 LEU 3HD1 : -0.413: 34
: 2479:A 20 LEU CD1 :A 89 THR 2HG2 : -0.412: 4
: 2479:A 21 LEU H :A 21 LEU 3HD1 : -0.405: 34
: 2479:A 149 THR HB :A 102 TYR 2HB : -0.602: 43
: 2479:A 103 ILE 2HG1 :A 148 ARG 1HG : -0.602: 44
: 2479:A 70 GLU 2HB :A 62 PHE 2HB : -0.595: 52
: 2479:A 69 PHE 1HB :A 62 PHE O : -0.409: 32
: 2479:A 104 GLY 1HA :A 145 ASP O : -0.530: 45
: 2479:A 36 GLU O :A 40 HIS 1HB : -0.508: 40
: 2479:A 17 VAL 3HG2 :A 18 PRO 1HD : -0.493: 71
: 2479:A 17 VAL CG2 :A 18 PRO 1HD : -0.436: 71
: 2479:A 13 GLU 1HG :A 96 LYS 2HB : -0.475: 33
: 2479:A 13 GLU HA :A 96 LYS HA : -0.422: 10
: 2479:A 27 ALA HA :A 67 GLY O : -0.460: 33
: 2479:A 118 LYS 2HD :A 118 LYS C : -0.459: 44
: 2479:A 4 GLU CD :A 4 GLU H : -0.450: 25
: 2479:A 118 LYS 2HE :A 4 GLU 1HB : -0.426: 14
: 2479:A 134 ILE CG1 :A 150 ARG 1HB : -0.458: 63
: 2479:A 16 PRO 2HD :A 94 SER 2HB : -0.456: 44
: 2479:A 115 ALA HA :A 6 GLN 1HG : -0.428: 71
: 2479:A 22 ILE CG1 :A 87 VAL 2HG2 : -0.416: 25
: 2479:A 86 ARG 1HH1 :A 86 ARG 2HD : -0.403: 51
#sum2 ::29.45 clashscore : 17.31 clashscore B<40
#summary::2479 atoms:1271 atoms B<40:280926 potential dots:17560.0 A^2:73 bumps:22 bumps B<40:387.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 149 THR HB :A 102 TYR 2HB : -1.007: 14
: 2479:A 155 LEU 1HD1 :A 125 PHE HD2 : -0.899: 20
: 2479:A 155 LEU 3HD1 :A 98 ALA 2HB : -0.871: 32
: 2479:A 155 LEU 3HD2 :A 155 LEU H : -0.774: 34
: 2479:A 126 ASP HA :A 155 LEU O : -0.657: 55
: 2479:A 155 LEU 1HB :A 120 VAL 1HG2 : -0.573: 53
: 2479:A 120 VAL 1HG2 :A 155 LEU O : -0.550: 55
: 2479:A 155 LEU 1HD1 :A 125 PHE CD2 : -0.543: 20
: 2479:A 126 ASP 1HB :A 156 HIS HA : -0.513: 63
: 2479:A 156 HIS 1HB :A 154 MET 1HG : -0.507: 33
: 2479:A 128 SER HA :A 154 MET 2HG : -0.487: 72
: 2479:A 120 VAL CG2 :A 155 LEU 1HB : -0.486: 53
: 2479:A 98 ALA O :A 152 SER HA : -0.477: 75
: 2479:A 120 VAL 3HG2 :A 155 LEU 2HD1 : -0.447: 53
: 2479:A 155 LEU H :A 155 LEU CD2 : -0.419: 34
: 2479:A 98 ALA H :A 155 LEU 2HD2 : -0.417: 24
: 2479:A 156 HIS H :A 154 MET C : -0.413: 60
: 2479:A 116 LEU 2HB :A 153 LEU 1HD2 : -0.815: 64
: 2479:A 116 LEU CB :A 153 LEU 1HD2 : -0.628: 64
: 2479:A 99 SER HA :A 151 VAL O : -0.474: 14
: 2479:A 116 LEU 1HD1 :A 151 VAL 3HG1 : -0.419: 6
: 2479:A 150 ARG 1HB :A 134 ILE HB : -0.764: 73
: 2479:A 58 PHE 2HB :A 134 ILE 2HG1 : -0.610: 72
: 2479:A 58 PHE CB :A 134 ILE 2HG1 : -0.474: 72
: 2479:A 134 ILE N :A 134 ILE 2HD1 : -0.430: 63
: 2479:A 24 THR HB :A 34 LEU 1HD2 : -0.757: 63
: 2479:A 26 THR HB :A 34 LEU 2HD2 : -0.631: 15
: 2479:A 61 TYR 2HB :A 71 VAL 2HG1 : -0.542: 65
: 2479:A 26 THR OG1 :A 30 GLU 2HB : -0.522: 22
: 2479:A 70 GLU HA :A 25 GLN HA : -0.506: 73
: 2479:A 61 TYR HA :A 70 GLU O : -0.478: 73
: 2479:A 24 THR OG1 :A 71 VAL 3HG2 : -0.435: 14
: 2479:A 71 VAL 1HG2 :A 34 LEU 3HD2 : -0.416: 15
: 2479:A 26 THR HB :A 34 LEU CD2 : -0.400: 15
: 2479:A 136 LEU H :A 136 LEU 3HD2 : -0.726: 70
: 2479:A 136 LEU HA :A 56 PRO CB : -0.671: 63
: 2479:A 136 LEU HA :A 56 PRO 2HB : -0.431: 63
: 2479:A 109 ILE 1HD1 :A 106 TYR HE1 : -0.657: 42
: 2479:A 110 GLU H :A 110 GLU CD : -0.545: 62
: 2479:A 113 TYR CB :A 110 GLU HA : -0.490: 44
: 2479:A 109 ILE O :A 113 TYR 1HB : -0.456: 60
: 2479:A 113 TYR 2HB :A 110 GLU HA : -0.431: 44
: 2479:A 113 TYR OH :A 159 LEU 3HD2 : -0.409: 32
: 2479:A 159 LEU 3HD1 :A 159 LEU C : -0.409: 36
: 2479:A 109 ILE 1HD1 :A 106 TYR CE1 : -0.406: 42
: 2479:A 137 ASP 2HB :A 142 THR 1HG2 : -0.653: 22
: 2479:A 143 ALA 3HB :A 142 THR O : -0.428: 73
: 2479:A 137 ASP 2HB :A 142 THR CG2 : -0.407: 22
: 2479:A 21 LEU HG :A 72 GLU 2HB : -0.645: 73
: 2479:A 21 LEU 2HB :A 74 GLY 1HA : -0.605: 22
: 2479:A 132 TYR HA :A 59 ALA O : -0.602: 63
: 2479:A 21 LEU N :A 21 LEU 3HD1 : -0.490: 51
: 2479:A 21 LEU 2HB :A 74 GLY CA : -0.464: 22
: 2479:A 72 GLU O :A 59 ALA HA : -0.415: 33
: 2479:A 69 PHE HD2 :A 63 GLY 2HA : -0.642: 44
: 2479:A 69 PHE CD2 :A 63 GLY 2HA : -0.580: 44
: 2479:A 130 GLU 2HG :A 62 PHE 1HB : -0.618: 64
: 2479:A 65 SER 2HB :A 62 PHE CZ : -0.490: 54
: 2479:A 62 PHE 1HB :A 130 GLU CG : -0.412: 64
: 2479:A 89 THR HB :A 20 LEU 2HD1 : -0.617: 24
: 2479:A 22 ILE CD1 :A 87 VAL 2HG2 : -0.549: 53
: 2479:A 87 VAL HA :A 22 ILE 3HD1 : -0.533: 50
: 2479:A 73 PHE HZ :A 22 ILE 1HG1 : -0.437: 50
: 2479:A 73 PHE HD1 :A 75 PHE HD1 : -0.415: 34
: 2479:A 157 GLU OE2 :A 163 HIS HA : -0.536: 41
: 2479:A 9 CYS HA :A 100 SER HA : -0.527: 44
: 2479:A 147 LEU 1HD1 :A 139 PRO HA : -0.505: 53
: 2479:A 139 PRO 2HD :A 138 ASN HA : -0.448: 42
: 2479:A 141 GLU H :A 139 PRO C : -0.438: 64
: 2479:A 94 SER HA :A 14 LEU O : -0.502: 63
: 2479:A 46 LEU 3HD1 :A 51 LYS 2HG : -0.480: 71
: 2479:A 11 LEU 1HD2 :A 96 LYS 2HB : -0.480: 25
: 2479:A 51 LYS 2HD :A 81 VAL 2HG2 : -0.451: 43
: 2479:A 52 SER HA :A 46 LEU 2HD1 : -0.439: 51
: 2479:A 11 LEU 3HD1 :A 11 LEU C : -0.439: 30
: 2479:A 127 LEU 1HD1 :A 96 LYS O : -0.424: 51
: 2479:A 96 LYS 2HG :A 13 GLU 2HB : -0.415: 35
: 2479:A 2 ASP CG :A 3 PHE H : -0.464: 41
: 2479:A 48 GLY 2HA :A 44 GLN NE2 : -0.446: 25
: 2479:A 92 THR O :A 16 PRO HA : -0.442: 63
: 2479:A 18 PRO 2HD :A 17 VAL HA : -0.431: 32
: 2479:A 17 VAL O :A 91 LEU HA : -0.425: 53
: 2479:A 19 ALA HA :A 76 PRO HA : -0.420: 64
: 2479:A 144 PRO O :A 145 ASP 2HB : -0.418: 61
: 2479:A 112 VAL 3HG2 :A 7 PHE 1HB : -0.412: 42
: 2479:A 23 ARG 2HG :A 23 ARG O : -0.407: 43
: 2479:A 32 GLY N :A 31 LEU 2HD1 : -0.405: 4
#sum2 ::35.09 clashscore : 24.12 clashscore B<40
#summary::2479 atoms:1244 atoms B<40:280738 potential dots:17550.0 A^2:87 bumps:30 bumps B<40:392.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 74 GLY 2HA :A 21 LEU 2HB : -1.076: 72
: 2479:A 21 LEU 2HD2 :A 72 GLU 2HB : -0.730: 61
: 2479:A 74 GLY 2HA :A 21 LEU CB : -0.656: 72
: 2479:A 72 GLU OE1 :A 60 ARG 2HD : -0.566: 41
: 2479:A 72 GLU 1HB :A 60 ARG 2HB : -0.503: 61
: 2479:A 21 LEU 2HB :A 74 GLY CA : -0.452: 72
: 2479:A 60 ARG O :A 71 VAL HA : -0.451: 71
: 2479:A 60 ARG HE :A 130 GLU CD : -0.427: 64
: 2479:A 72 GLU OE2 :A 23 ARG 2HB : -0.426: 71
: 2479:A 155 LEU 1HB :A 120 VAL 1HG2 : -1.038: 63
: 2479:A 98 ALA H :A 155 LEU 2HD2 : -0.832: 24
: 2479:A 129 GLY H :A 127 LEU HG : -0.663: 41
: 2479:A 155 LEU 3HD2 :A 155 LEU H : -0.620: 34
: 2479:A 120 VAL 3HG2 :A 125 PHE 1HB : -0.512: 63
: 2479:A 155 LEU 2HB :A 98 ALA CB : -0.509: 52
: 2479:A 155 LEU 2HB :A 98 ALA 3HB : -0.494: 52
: 2479:A 155 LEU 1HD2 :A 127 LEU CB : -0.432: 24
: 2479:A 155 LEU 1HB :A 120 VAL CG2 : -0.412: 63
: 2479:A 131 ALA 3HB :A 61 TYR 1HB : -0.996: 70
: 2479:A 69 PHE HE2 :A 61 TYR HD1 : -0.602: 52
: 2479:A 61 TYR 2HB :A 69 PHE CZ : -0.466: 70
: 2479:A 69 PHE HZ :A 61 TYR 2HB : -0.430: 70
: 2479:A 25 GLN HA :A 69 PHE O : -0.416: 73
: 2479:A 68 THR 2HG2 :A 25 GLN 1HB : -0.410: 41
: 2479:A 75 PHE 2HB :A 57 PRO HA : -0.934: 71
: 2479:A 58 PHE CE2 :A 75 PHE HA : -0.403: 73
: 2479:A 75 PHE HD2 :A 57 PRO 2HB : -0.400: 74
: 2479:A 19 ALA HA :A 76 PRO HA : -0.908: 65
: 2479:A 76 PRO 1HB :A 54 SER 1HB : -0.802: 40
: 2479:A 54 SER CB :A 78 GLU 2HG : -0.650: 33
: 2479:A 78 GLU 2HG :A 54 SER 2HB : -0.562: 33
: 2479:A 76 PRO HA :A 19 ALA CA : -0.489: 65
: 2479:A 78 GLU 2HG :A 54 SER CA : -0.408: 33
: 2479:A 153 LEU 2HD1 :A 116 LEU 1HD2 : -0.842: 73
: 2479:A 153 LEU 3HD1 :A 113 TYR CD2 : -0.758: 53
: 2479:A 153 LEU 3HD1 :A 113 TYR HD2 : -0.665: 53
: 2479:A 99 SER HA :A 151 VAL O : -0.534: 72
: 2479:A 151 VAL 2HG2 :A 153 LEU HG : -0.514: 42
: 2479:A 151 VAL 3HG2 :A 133 GLU 1HG : -0.446: 24
: 2479:A 113 TYR 1HB :A 109 ILE 2HG2 : -0.436: 53
: 2479:A 152 SER 1HB :A 132 TYR 2HB : -0.706: 44
: 2479:A 70 GLU 2HB :A 62 PHE 2HB : -0.703: 63
: 2479:A 65 SER 2HB :A 62 PHE CZ : -0.527: 24
: 2479:A 49 GLN 2HB :A 51 LYS 2HE : -0.692: 42
: 2479:A 77 VAL HB :A 81 VAL CG2 : -0.561: 32
: 2479:A 51 LYS 2HD :A 81 VAL 2HG2 : -0.508: 32
: 2479:A 81 VAL HB :A 77 VAL 1HG2 : -0.491: 65
: 2479:A 20 LEU 2HD1 :A 89 THR 3HG2 : -0.458: 61
: 2479:A 81 VAL CG1 :A 20 LEU 2HD2 : -0.406: 62
: 2479:A 51 LYS CD :A 81 VAL 2HG2 : -0.400: 32
: 2479:A 143 ALA 1HB :A 146 GLN 1HB : -0.657: 72
: 2479:A 13 GLU HA :A 96 LYS HA : -0.657: 54
: 2479:A 103 ILE 2HG1 :A 148 ARG 1HG : -0.652: 75
: 2479:A 148 ARG 1HG :A 103 ILE CG1 : -0.411: 75
: 2479:A 83 GLY 2HA :A 88 VAL HA : -0.604: 52
: 2479:A 149 THR 3HG2 :A 134 ILE O : -0.545: 52
: 2479:A 42 ILE 1HG1 :A 38 GLY O : -0.532: 13
: 2479:A 119 TRP HH2 :A 11 LEU 1HB : -0.530: 34
: 2479:A 11 LEU 1HB :A 119 TRP CH2 : -0.495: 34
: 2479:A 136 LEU H :A 136 LEU 2HD1 : -0.520: 64
: 2479:A 136 LEU 2HD1 :A 136 LEU N : -0.439: 64
: 2479:A 39 TYR 2HB :A 73 PHE HE2 : -0.505: 51
: 2479:A 117 MET CE :A 117 MET HA : -0.492: 34
: 2479:A 33 SER 2HB :A 30 GLU 2HG : -0.463: 75
: 2479:A 139 PRO 2HD :A 138 ASN HA : -0.462: 33
: 2479:A 34 LEU 3HD1 :A 34 LEU O : -0.454: 45
: 2479:A 9 CYS 2HB :A 100 SER 2HB : -0.453: 35
: 2479:A 16 PRO 2HG :A 94 SER OG : -0.429: 52
: 2479:A 22 ILE 2HD1 :A 86 ARG 2HG : -0.418: 60
: 2479:A 108 GLU 1HG :A 108 GLU O : -0.415: 50
: 2479:A 45 LEU 3HD1 :A 45 LEU C : -0.411: 64
: 2479:A 53 PRO 2HD :A 52 SER HA : -0.400: 62
: 2479:A 101 LEU N :A 101 LEU 2HD1 : -0.400: 74
#sum2 ::29.45 clashscore : 14.10 clashscore B<40
#summary::2479 atoms:1206 atoms B<40:280971 potential dots:17560.0 A^2:73 bumps:17 bumps B<40:387.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 12 LYS 2HE :A 12 LYS HA : -0.818: 42
: 2479:A 87 VAL HB :A 84 SER 1HB : -0.817: 33
: 2479:A 43 LEU HG :A 46 LEU 2HB : -0.649: 34
: 2479:A 87 VAL 1HG2 :A 42 ILE HB : -0.610: 70
: 2479:A 73 PHE HA :A 59 ALA HA : -0.544: 24
: 2479:A 42 ILE HB :A 87 VAL CG2 : -0.519: 70
: 2479:A 42 ILE 1HG1 :A 38 GLY O : -0.503: 41
: 2479:A 87 VAL HB :A 84 SER CB : -0.489: 33
: 2479:A 43 LEU H :A 87 VAL 1HG2 : -0.479: 70
: 2479:A 42 ILE 3HD1 :A 73 PHE CE2 : -0.441: 43
: 2479:A 24 THR 1HG2 :A 34 LEU 1HD2 : -0.778: 73
: 2479:A 24 THR O :A 71 VAL 2HG2 : -0.559: 25
: 2479:A 131 ALA 3HB :A 61 TYR 1HB : -0.730: 74
: 2479:A 64 MET H :A 69 PHE HE1 : -0.665: 34
: 2479:A 61 TYR 2HB :A 69 PHE CZ : -0.596: 64
: 2479:A 64 MET 2HG :A 154 MET SD : -0.515: 23
: 2479:A 25 GLN HA :A 69 PHE O : -0.447: 44
: 2479:A 128 SER HA :A 154 MET CE : -0.431: 61
: 2479:A 128 SER HA :A 154 MET 2HE : -0.422: 61
: 2479:A 143 ALA 1HB :A 146 GLN 1HB : -0.689: 64
: 2479:A 144 PRO C :A 146 GLN H : -0.459: 65
: 2479:A 134 ILE 1HG1 :A 150 ARG 1HB : -0.684: 31
: 2479:A 19 ALA HA :A 76 PRO HA : -0.659: 31
: 2479:A 58 PHE HD1 :A 134 ILE HB : -0.492: 44
: 2479:A 58 PHE CD1 :A 134 ILE HB : -0.442: 44
: 2479:A 150 ARG 1HD :A 134 ILE 3HD1 : -0.439: 33
: 2479:A 58 PHE CD2 :A 76 PRO 1HD : -0.414: 60
: 2479:A 150 ARG O :A 133 GLU HA : -0.406: 23
: 2479:A 76 PRO 1HD :A 58 PHE CE2 : -0.400: 60
: 2479:A 155 LEU 1HD2 :A 98 ALA 2HB : -0.654: 60
: 2479:A 98 ALA O :A 152 SER HA : -0.520: 71
: 2479:A 152 SER 2HB :A 132 TYR 2HB : -0.499: 70
: 2479:A 155 LEU CD1 :A 125 PHE HD2 : -0.453: 71
: 2479:A 98 ALA 2HB :A 155 LEU CD2 : -0.430: 60
: 2479:A 11 LEU 1HD1 :A 96 LYS 2HB : -0.637: 74
: 2479:A 119 TRP HH2 :A 11 LEU 1HB : -0.406: 33
: 2479:A 109 ILE O :A 112 VAL 2HG1 : -0.626: 23
: 2479:A 103 ILE 2HG1 :A 148 ARG 1HG : -0.624: 16
: 2479:A 101 LEU 2HD2 :A 148 ARG 2HD : -0.614: 4
: 2479:A 103 ILE N :A 103 ILE 2HD1 : -0.434: 15
: 2479:A 101 LEU 2HD1 :A 101 LEU O : -0.425: 71
: 2479:A 94 SER HA :A 14 LEU O : -0.605: 45
: 2479:A 126 ASP 1HB :A 156 HIS HA : -0.600: 54
: 2479:A 45 LEU O :A 49 GLN 1HB : -0.568: 51
: 2479:A 72 GLU OE1 :A 60 ARG 2HD : -0.556: 62
: 2479:A 60 ARG 1HG :A 72 GLU 1HB : -0.447: 12
: 2479:A 113 TYR HD1 :A 110 GLU HA : -0.550: 62
: 2479:A 53 PRO 2HB :A 75 PHE HE2 : -0.538: 63
: 2479:A 75 PHE CD1 :A 57 PRO HA : -0.489: 4
: 2479:A 53 PRO 2HB :A 75 PHE CE2 : -0.460: 63
: 2479:A 99 SER HA :A 151 VAL O : -0.508: 4
: 2479:A 86 ARG O :A 22 ILE 3HD1 : -0.493: 64
: 2479:A 92 THR O :A 16 PRO HA : -0.448: 63
: 2479:A 16 PRO 2HD :A 15 ALA HA : -0.426: 71
: 2479:A 138 ASN H :A 137 ASP CG : -0.444: 72
: 2479:A 18 PRO 2HD :A 17 VAL HA : -0.441: 52
: 2479:A 160 GLU HA :A 160 GLU OE1 : -0.434: 33
: 2479:A 139 PRO C :A 141 GLU H : -0.403: 31
#sum2 ::23.40 clashscore : 17.09 clashscore B<40
#summary::2479 atoms:1229 atoms B<40:280718 potential dots:17540.0 A^2:58 bumps:21 bumps B<40:407.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 102 TYR HE2 :A 106 TYR HA : -0.884: 15
: 2479:A 154 MET 2HG :A 131 ALA 2HB : -0.881: 45
: 2479:A 120 VAL 3HG2 :A 125 PHE 1HB : -0.834: 74
: 2479:A 155 LEU 3HD1 :A 98 ALA 2HB : -0.699: 41
: 2479:A 112 VAL 2HG2 :A 116 LEU 3HD2 : -0.639: 42
: 2479:A 154 MET H :A 153 LEU HG : -0.594: 75
: 2479:A 97 ALA HA :A 155 LEU 1HD2 : -0.580: 71
: 2479:A 109 ILE O :A 112 VAL 2HG1 : -0.574: 32
: 2479:A 128 SER 2HB :A 155 LEU 3HD2 : -0.567: 74
: 2479:A 120 VAL 1HG1 :A 155 LEU O : -0.523: 42
: 2479:A 154 MET N :A 153 LEU HG : -0.509: 75
: 2479:A 116 LEU 1HB :A 112 VAL O : -0.500: 52
: 2479:A 155 LEU H :A 153 LEU C : -0.498: 30
: 2479:A 128 SER CB :A 155 LEU 3HD2 : -0.488: 74
: 2479:A 125 PHE 1HB :A 120 VAL CG2 : -0.479: 74
: 2479:A 120 VAL 2HG1 :A 116 LEU O : -0.471: 75
: 2479:A 116 LEU 1HD1 :A 98 ALA 1HB : -0.424: 73
: 2479:A 154 MET O :A 155 LEU 1HB : -0.421: 54
: 2479:A 7 PHE 2HB :A 112 VAL HA : -0.419: 75
: 2479:A 120 VAL 3HG1 :A 121 ASP N : -0.413: 62
: 2479:A 120 VAL 1HG2 :A 155 LEU C : -0.406: 24
: 2479:A 119 TRP HH2 :A 11 LEU 1HB : -0.830: 74
: 2479:A 11 LEU 1HB :A 119 TRP CH2 : -0.511: 74
: 2479:A 159 LEU HA :A 127 LEU 1HD1 : -0.806: 21
: 2479:A 127 LEU CD1 :A 159 LEU HA : -0.600: 21
: 2479:A 159 LEU HA :A 127 LEU 1HD2 : -0.533: 21
: 2479:A 159 LEU 1HB :A 161 HIS HD2 : -0.492: 64
: 2479:A 127 LEU 1HD1 :A 159 LEU CA : -0.423: 21
: 2479:A 23 ARG 2HB :A 72 GLU 1HG : -0.778: 51
: 2479:A 24 THR 2HG2 :A 26 THR 3HG2 : -0.700: 16
: 2479:A 24 THR 1HG2 :A 34 LEU 2HD2 : -0.666: 64
: 2479:A 24 THR O :A 71 VAL 2HG2 : -0.630: 51
: 2479:A 23 ARG 2HB :A 72 GLU CG : -0.610: 51
: 2479:A 72 GLU 1HG :A 23 ARG CB : -0.532: 51
: 2479:A 71 VAL CG2 :A 24 THR HB : -0.494: 4
: 2479:A 72 GLU 1HB :A 60 ARG 2HB : -0.477: 55
: 2479:A 60 ARG O :A 71 VAL HA : -0.446: 62
: 2479:A 72 GLU OE1 :A 60 ARG 1HD : -0.440: 54
: 2479:A 24 THR 1HG2 :A 34 LEU CD2 : -0.427: 64
: 2479:A 70 GLU HA :A 25 GLN HA : -0.777: 54
: 2479:A 70 GLU 2HB :A 62 PHE 2HB : -0.640: 40
: 2479:A 25 GLN H :A 25 GLN CD : -0.568: 14
: 2479:A 136 LEU 3HD1 :A 136 LEU H : -0.768: 53
: 2479:A 136 LEU 3HD1 :A 136 LEU N : -0.498: 53
: 2479:A 136 LEU H :A 136 LEU CD1 : -0.407: 53
: 2479:A 103 ILE 1HD1 :A 101 LEU 3HD1 : -0.741: 42
: 2479:A 148 ARG 1HB :A 101 LEU 1HB : -0.466: 12
: 2479:A 148 ARG 2HD :A 148 ARG H : -0.416: 34
: 2479:A 143 ALA 1HB :A 146 GLN 1HB : -0.730: 10
: 2479:A 147 LEU HG :A 143 ALA O : -0.543: 33
: 2479:A 144 PRO O :A 145 ASP 2HB : -0.457: 44
: 2479:A 144 PRO C :A 146 GLN H : -0.411: 73
: 2479:A 89 THR 2HG2 :A 20 LEU 2HB : -0.713: 43
: 2479:A 51 LYS 2HG :A 81 VAL 2HG2 : -0.661: 44
: 2479:A 20 LEU 3HD2 :A 77 VAL 2HG1 : -0.615: 55
: 2479:A 77 VAL HB :A 81 VAL 1HG2 : -0.612: 74
: 2479:A 78 GLU 2HB :A 51 LYS 1HD : -0.612: 75
: 2479:A 20 LEU 1HD2 :A 46 LEU 1HD2 : -0.591: 63
: 2479:A 89 THR HA :A 20 LEU HA : -0.562: 4
: 2479:A 81 VAL HA :A 49 GLN OE1 : -0.518: 73
: 2479:A 51 LYS 2HB :A 78 GLU CB : -0.487: 43
: 2479:A 78 GLU 1HB :A 52 SER H : -0.482: 43
: 2479:A 77 VAL HB :A 81 VAL CG2 : -0.457: 74
: 2479:A 51 LYS 2HB :A 78 GLU 2HB : -0.426: 43
: 2479:A 133 GLU 1HB :A 135 TYR CE2 : -0.697: 51
: 2479:A 96 LYS O :A 96 LYS 1HD : -0.678: 63
: 2479:A 96 LYS 1HD :A 96 LYS C : -0.519: 63
: 2479:A 73 PHE HA :A 59 ALA HA : -0.673: 34
: 2479:A 134 ILE 1HG1 :A 58 PHE HD1 : -0.663: 32
: 2479:A 150 ARG 2HG :A 134 ILE HB : -0.478: 72
: 2479:A 58 PHE 1HB :A 73 PHE O : -0.475: 22
: 2479:A 132 TYR HA :A 59 ALA O : -0.453: 62
: 2479:A 134 ILE 1HG1 :A 58 PHE CD1 : -0.419: 32
: 2479:A 132 TYR OH :A 14 LEU 3HD1 : -0.411: 25
: 2479:A 87 VAL 2HG2 :A 22 ILE HB : -0.637: 64
: 2479:A 86 ARG 1HD :A 22 ILE 2HG1 : -0.597: 22
: 2479:A 22 ILE CG1 :A 86 ARG 1HD : -0.535: 22
: 2479:A 36 GLU HA :A 39 TYR CE2 : -0.630: 32
: 2479:A 64 MET CE :A 64 MET HA : -0.630: 54
: 2479:A 36 GLU HA :A 39 TYR HE2 : -0.473: 32
: 2479:A 31 LEU O :A 35 PHE 1HB : -0.620: 71
: 2479:A 6 GLN HA :A 115 ALA 2HB : -0.548: 25
: 2479:A 137 ASP 1HB :A 142 THR CG2 : -0.531: 41
: 2479:A 137 ASP 1HB :A 142 THR 1HG2 : -0.475: 41
: 2479:A 28 MET 1HG :A 28 MET O : -0.516: 15
: 2479:A 99 SER HA :A 151 VAL O : -0.486: 11
: 2479:A 21 LEU N :A 21 LEU 3HD1 : -0.458: 43
: 2479:A 21 LEU 2HD2 :A 21 LEU C : -0.429: 63
: 2479:A 18 PRO 2HD :A 17 VAL HA : -0.443: 75
: 2479:A 44 GLN O :A 48 GLY 2HA : -0.423: 53
: 2479:A 141 GLU H :A 139 PRO C : -0.413: 54
: 2479:A 75 PHE CD1 :A 57 PRO 2HB : -0.413: 52
: 2479:A 12 LYS CG :A 10 GLU 2HG : -0.413: 70
: 2479:A 157 GLU 1HB :A 156 HIS O : -0.405: 71
#sum2 ::37.92 clashscore : 20.82 clashscore B<40
#summary::2479 atoms:1345 atoms B<40:281056 potential dots:17570.0 A^2:94 bumps:28 bumps B<40:238.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 123 ASN ND2 :A 120 VAL HA : -0.888: 62
: 2479:A 120 VAL HA :A 123 ASN 2HD2 : -0.545: 62
: 2479:A 120 VAL HA :A 123 ASN 1HD2 : -0.481: 62
: 2479:A 120 VAL CG1 :A 127 LEU 1HD2 : -0.451: 35
: 2479:A 70 GLU 2HB :A 62 PHE 1HB : -0.844: 61
: 2479:A 152 SER 2HB :A 99 SER 1HB : -0.736: 62
: 2479:A 72 GLU 1HG :A 23 ARG HA : -0.713: 66
: 2479:A 60 ARG 2HB :A 132 TYR 2HB : -0.692: 62
: 2479:A 152 SER CB :A 99 SER 1HB : -0.660: 62
: 2479:A 152 SER 1HB :A 132 TYR CE2 : -0.605: 41
: 2479:A 72 GLU OE1 :A 60 ARG 1HD : -0.589: 12
: 2479:A 60 ARG HA :A 132 TYR HA : -0.584: 15
: 2479:A 60 ARG CB :A 132 TYR 2HB : -0.568: 62
: 2479:A 72 GLU 1HB :A 60 ARG 2HG : -0.564: 64
: 2479:A 86 ARG O :A 22 ILE 2HG1 : -0.498: 35
: 2479:A 22 ILE O :A 72 GLU HA : -0.487: 44
: 2479:A 86 ARG 1HD :A 22 ILE 1HD1 : -0.483: 74
: 2479:A 72 GLU O :A 59 ALA HA : -0.467: 44
: 2479:A 132 TYR HE1 :A 154 MET 1HG : -0.449: 35
: 2479:A 60 ARG CG :A 72 GLU 1HB : -0.444: 64
: 2479:A 132 TYR HA :A 59 ALA O : -0.440: 21
: 2479:A 70 GLU 2HB :A 62 PHE CB : -0.434: 61
: 2479:A 62 PHE HE1 :A 60 ARG NE : -0.421: 54
: 2479:A 60 ARG HA :A 132 TYR CA : -0.415: 15
: 2479:A 20 LEU 3HD1 :A 77 VAL 1HG1 : -0.766: 65
: 2479:A 89 THR HA :A 20 LEU HA : -0.476: 74
: 2479:A 20 LEU 3HD1 :A 77 VAL CG1 : -0.406: 65
: 2479:A 96 LYS 2HB :A 11 LEU HG : -0.750: 64
: 2479:A 98 ALA H :A 155 LEU 1HD2 : -0.710: 62
: 2479:A 155 LEU 3HD2 :A 97 ALA HA : -0.682: 62
: 2479:A 119 TRP HZ2 :A 98 ALA CB : -0.569: 44
: 2479:A 116 LEU 2HD1 :A 113 TYR HA : -0.563: 74
: 2479:A 119 TRP HD1 :A 116 LEU HA : -0.517: 33
: 2479:A 112 VAL O :A 116 LEU HG : -0.510: 65
: 2479:A 98 ALA H :A 155 LEU CD2 : -0.479: 62
: 2479:A 95 GLY C :A 96 LYS 1HD : -0.471: 42
: 2479:A 96 LYS 2HG :A 13 GLU HA : -0.460: 63
: 2479:A 11 LEU HG :A 96 LYS CB : -0.432: 64
: 2479:A 13 GLU HA :A 96 LYS HA : -0.431: 63
: 2479:A 155 LEU 2HD2 :A 155 LEU N : -0.428: 62
: 2479:A 97 ALA C :A 11 LEU 2HD1 : -0.420: 73
: 2479:A 119 TRP HZ2 :A 98 ALA 1HB : -0.413: 44
: 2479:A 64 MET 2HG :A 129 GLY C : -0.646: 53
: 2479:A 129 GLY CA :A 64 MET 2HG : -0.427: 75
: 2479:A 41 ASP O :A 44 GLN 1HG : -0.637: 34
: 2479:A 73 PHE 2HB :A 75 PHE HE1 : -0.632: 20
: 2479:A 75 PHE CE1 :A 73 PHE 2HB : -0.501: 20
: 2479:A 52 SER 2HB :A 53 PRO 1HD : -0.490: 64
: 2479:A 53 PRO HA :A 76 PRO O : -0.459: 44
: 2479:A 76 PRO 2HD :A 75 PHE HA : -0.435: 75
: 2479:A 138 ASN OD1 :A 139 PRO 1HD : -0.626: 35
: 2479:A 143 ALA H :A 142 THR 3HG2 : -0.586: 24
: 2479:A 143 ALA N :A 142 THR 3HG2 : -0.510: 24
: 2479:A 103 ILE HA :A 147 LEU O : -0.484: 32
: 2479:A 147 LEU 2HD2 :A 139 PRO HA : -0.412: 54
: 2479:A 142 THR 2HG2 :A 147 LEU 3HD2 : -0.405: 54
: 2479:A 142 THR CG2 :A 147 LEU 3HD2 : -0.401: 54
: 2479:A 136 LEU H :A 136 LEU CD1 : -0.596: 74
: 2479:A 136 LEU 3HD1 :A 136 LEU H : -0.587: 74
: 2479:A 136 LEU 2HD2 :A 136 LEU C : -0.474: 24
: 2479:A 136 LEU HA :A 56 PRO 2HB : -0.415: 60
: 2479:A 57 PRO 2HD :A 56 PRO HA : -0.400: 53
: 2479:A 24 THR O :A 71 VAL 2HG2 : -0.573: 53
: 2479:A 81 VAL HA :A 49 GLN 1HE2 : -0.548: 62
: 2479:A 91 LEU 2HB :A 18 PRO HA : -0.520: 71
: 2479:A 74 GLY 1HA :A 21 LEU HG : -0.498: 53
: 2479:A 149 THR 1HG2 :A 133 GLU 2HB : -0.473: 63
: 2479:A 61 TYR HE1 :A 133 GLU 2HG : -0.453: 65
: 2479:A 61 TYR HE2 :A 31 LEU 1HD2 : -0.442: 51
: 2479:A 58 PHE 2HB :A 134 ILE 2HG1 : -0.441: 52
: 2479:A 131 ALA O :A 61 TYR HD1 : -0.430: 74
: 2479:A 149 THR CG2 :A 133 GLU 2HB : -0.417: 63
: 2479:A 26 THR 1HG2 :A 31 LEU HA : -0.415: 35
: 2479:A 58 PHE HA :A 133 GLU O : -0.412: 33
: 2479:A 148 ARG HA :A 102 TYR O : -0.453: 44
: 2479:A 84 SER H :A 87 VAL CG1 : -0.450: 31
: 2479:A 15 ALA O :A 17 VAL 3HG2 : -0.450: 33
: 2479:A 84 SER H :A 87 VAL 3HG1 : -0.439: 31
: 2479:A 4 GLU H :A 2 ASP C : -0.429: 51
: 2479:A 69 PHE HE2 :A 28 MET 2HB : -0.417: 64
: 2479:A 146 GLN H :A 144 PRO C : -0.401: 74
#sum2 ::32.67 clashscore : 17.49 clashscore B<40
#summary::2479 atoms:1201 atoms B<40:281152 potential dots:17570.0 A^2:81 bumps:21 bumps B<40:369.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 76 PRO 1HB :A 54 SER 1HB : -0.976: 55
: 2479:A 84 SER H :A 87 VAL 3HG1 : -0.831: 53
: 2479:A 20 LEU 2HD1 :A 87 VAL 2HG2 : -0.688: 24
: 2479:A 73 PHE HA :A 59 ALA HA : -0.680: 31
: 2479:A 20 LEU 3HD2 :A 77 VAL 1HG1 : -0.575: 55
: 2479:A 87 VAL HB :A 22 ILE 3HD1 : -0.568: 55
: 2479:A 22 ILE CD1 :A 87 VAL HB : -0.515: 55
: 2479:A 73 PHE CZ :A 22 ILE HB : -0.458: 32
: 2479:A 84 SER H :A 87 VAL CG1 : -0.453: 53
: 2479:A 20 LEU 2HD1 :A 87 VAL CG2 : -0.428: 24
: 2479:A 77 VAL HB :A 81 VAL 1HG2 : -0.426: 74
: 2479:A 22 ILE 3HD1 :A 87 VAL CB : -0.425: 55
: 2479:A 73 PHE HA :A 59 ALA CA : -0.424: 31
: 2479:A 62 PHE HD1 :A 130 GLU 2HB : -0.816: 65
: 2479:A 130 GLU 2HG :A 154 MET 2HG : -0.627: 63
: 2479:A 154 MET CG :A 130 GLU 2HG : -0.544: 63
: 2479:A 70 GLU 2HB :A 62 PHE 2HB : -0.524: 41
: 2479:A 70 GLU OE2 :A 25 GLN 2HB : -0.515: 43
: 2479:A 130 GLU 2HB :A 62 PHE CD1 : -0.482: 65
: 2479:A 158 SER HA :A 128 SER OG : -0.471: 33
: 2479:A 62 PHE CE1 :A 161 HIS 1HB : -0.417: 33
: 2479:A 154 MET 1HB :A 128 SER 2HB : -0.408: 21
: 2479:A 72 GLU 1HB :A 60 ARG 2HG : -0.815: 54
: 2479:A 74 GLY 1HA :A 21 LEU HG : -0.510: 33
: 2479:A 21 LEU HG :A 74 GLY CA : -0.461: 33
: 2479:A 72 GLU 1HB :A 60 ARG CG : -0.429: 54
: 2479:A 21 LEU CD2 :A 60 ARG 2HD : -0.427: 40
: 2479:A 21 LEU 2HD1 :A 21 LEU N : -0.406: 23
: 2479:A 139 PRO 2HB :A 147 LEU 1HD1 : -0.810: 74
: 2479:A 139 PRO HA :A 147 LEU 1HD2 : -0.584: 74
: 2479:A 136 LEU 3HD1 :A 136 LEU H : -0.803: 73
: 2479:A 136 LEU HA :A 56 PRO 1HG : -0.580: 72
: 2479:A 136 LEU 3HD1 :A 136 LEU N : -0.510: 73
: 2479:A 136 LEU HA :A 56 PRO CB : -0.494: 72
: 2479:A 56 PRO CG :A 136 LEU HA : -0.464: 72
: 2479:A 136 LEU HA :A 56 PRO 1HB : -0.411: 72
: 2479:A 1 MET 1HB :A 145 ASP 1HB : -0.758: 43
: 2479:A 145 ASP 2HB :A 104 GLY O : -0.503: 50
: 2479:A 1 MET 1HB :A 145 ASP CB : -0.437: 43
: 2479:A 143 ALA 1HB :A 1 MET 2HG : -0.414: 43
: 2479:A 155 LEU 3HD2 :A 155 LEU H : -0.698: 31
: 2479:A 155 LEU HA :A 126 ASP O : -0.555: 65
: 2479:A 155 LEU O :A 156 HIS 2HB : -0.445: 34
: 2479:A 155 LEU CD2 :A 97 ALA HA : -0.434: 31
: 2479:A 150 ARG 2HB :A 134 ILE 1HD1 : -0.667: 54
: 2479:A 101 LEU HA :A 150 ARG HA : -0.566: 75
: 2479:A 101 LEU HA :A 149 THR O : -0.550: 74
: 2479:A 150 ARG O :A 134 ILE 1HG1 : -0.493: 21
: 2479:A 58 PHE HD1 :A 134 ILE 2HG2 : -0.466: 63
: 2479:A 134 ILE 2HG2 :A 58 PHE CD1 : -0.440: 63
: 2479:A 101 LEU 2HD1 :A 101 LEU C : -0.438: 74
: 2479:A 150 ARG CG :A 99 SER 1HB : -0.430: 75
: 2479:A 24 THR 3HG2 :A 71 VAL 3HG2 : -0.612: 72
: 2479:A 24 THR 3HG2 :A 71 VAL CG2 : -0.514: 72
: 2479:A 69 PHE HD1 :A 71 VAL 3HG1 : -0.453: 51
: 2479:A 61 TYR CD2 :A 71 VAL 2HG1 : -0.451: 51
: 2479:A 112 VAL 1HG1 :A 102 TYR CD1 : -0.594: 73
: 2479:A 102 TYR HA :A 6 GLN O : -0.510: 72
: 2479:A 112 VAL HB :A 7 PHE CD1 : -0.450: 2
: 2479:A 146 GLN 2HB :A 142 THR O : -0.570: 62
: 2479:A 120 VAL CG2 :A 125 PHE 1HB : -0.535: 51
: 2479:A 125 PHE 1HB :A 120 VAL 2HG2 : -0.522: 51
: 2479:A 123 ASN 2HB :A 125 PHE CE2 : -0.433: 55
: 2479:A 26 THR HB :A 34 LEU 2HD2 : -0.511: 43
: 2479:A 26 THR CB :A 34 LEU 2HD2 : -0.438: 43
: 2479:A 98 ALA O :A 152 SER HA : -0.506: 62
: 2479:A 17 VAL 3HG2 :A 18 PRO 1HD : -0.504: 36
: 2479:A 17 VAL CG2 :A 18 PRO 1HD : -0.446: 36
: 2479:A 42 ILE 2HG2 :A 38 GLY O : -0.474: 62
: 2479:A 119 TRP HH2 :A 11 LEU 1HB : -0.463: 42
: 2479:A 16 PRO 2HB :A 91 LEU 2HD1 : -0.462: 55
: 2479:A 15 ALA HA :A 16 PRO 2HD : -0.446: 53
: 2479:A 159 LEU H :A 159 LEU 3HD2 : -0.452: 21
: 2479:A 159 LEU N :A 159 LEU 3HD2 : -0.423: 21
: 2479:A 86 ARG O :A 23 ARG 1HG : -0.449: 44
: 2479:A 86 ARG 1HH2 :A 41 ASP CG : -0.446: 65
: 2479:A 103 ILE N :A 103 ILE 3HD1 : -0.429: 72
: 2479:A 45 LEU 1HD1 :A 82 GLU O : -0.427: 75
: 2479:A 153 LEU O :A 153 LEU 2HD1 : -0.411: 40
: 2479:A 9 CYS HA :A 100 SER HA : -0.409: 53
: 2479:A 35 PHE HD1 :A 31 LEU O : -0.404: 73
: 2479:A 95 GLY O :A 13 GLU HA : -0.402: 45
#sum2 ::33.08 clashscore : 16.25 clashscore B<40
#summary::2479 atoms:1231 atoms B<40:280912 potential dots:17560.0 A^2:82 bumps:20 bumps B<40:437.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 70 GLU 1HB :A 62 PHE 2HB : -0.948: 33
: 2479:A 62 PHE HD1 :A 130 GLU 2HB : -0.748: 61
: 2479:A 62 PHE 2HB :A 70 GLU CB : -0.474: 33
: 2479:A 72 GLU 1HG :A 21 LEU 1HB : -0.846: 43
: 2479:A 20 LEU 2HD1 :A 87 VAL 2HG1 : -0.648: 31
: 2479:A 22 ILE 2HG1 :A 87 VAL HA : -0.580: 43
: 2479:A 72 GLU 2HB :A 60 ARG CG : -0.553: 31
: 2479:A 22 ILE H :A 72 GLU CD : -0.546: 64
: 2479:A 21 LEU 1HB :A 72 GLU CG : -0.512: 43
: 2479:A 21 LEU 2HD2 :A 21 LEU C : -0.467: 44
: 2479:A 22 ILE 1HD1 :A 87 VAL 2HG2 : -0.406: 65
: 2479:A 23 ARG N :A 22 ILE 2HG2 : -0.403: 51
: 2479:A 119 TRP HH2 :A 11 LEU 1HB : -0.823: 64
: 2479:A 11 LEU 1HB :A 119 TRP CH2 : -0.711: 64
: 2479:A 126 ASP 1HB :A 156 HIS HA : -0.779: 61
: 2479:A 155 LEU 3HD2 :A 155 LEU H : -0.762: 61
: 2479:A 127 LEU 1HB :A 155 LEU 1HD2 : -0.743: 64
: 2479:A 116 LEU 2HD1 :A 98 ALA 1HB : -0.729: 44
: 2479:A 155 LEU 1HB :A 120 VAL 1HG2 : -0.582: 54
: 2479:A 120 VAL CG2 :A 155 LEU 1HB : -0.550: 54
: 2479:A 155 LEU H :A 155 LEU CD2 : -0.548: 61
: 2479:A 155 LEU 1HD1 :A 127 LEU 3HD2 : -0.524: 42
: 2479:A 127 LEU 2HD2 :A 126 ASP C : -0.507: 72
: 2479:A 155 LEU 3HD2 :A 155 LEU N : -0.420: 61
: 2479:A 155 LEU 2HB :A 98 ALA 3HB : -0.414: 54
: 2479:A 142 THR HB :A 137 ASP 2HB : -0.728: 34
: 2479:A 137 ASP 2HB :A 142 THR CB : -0.569: 34
: 2479:A 142 THR HB :A 137 ASP CB : -0.455: 34
: 2479:A 142 THR CG2 :A 137 ASP 2HB : -0.441: 62
: 2479:A 142 THR O :A 144 PRO 2HD : -0.417: 64
: 2479:A 136 LEU HA :A 56 PRO 2HB : -0.714: 62
: 2479:A 42 ILE 2HD1 :A 75 PHE HE1 : -0.652: 74
: 2479:A 42 ILE 1HG1 :A 38 GLY O : -0.574: 65
: 2479:A 135 TYR O :A 57 PRO 1HD : -0.551: 75
: 2479:A 46 LEU 1HD2 :A 75 PHE HE2 : -0.488: 75
: 2479:A 136 LEU HA :A 56 PRO CB : -0.470: 62
: 2479:A 76 PRO 2HD :A 75 PHE HA : -0.456: 72
: 2479:A 57 PRO 2HD :A 56 PRO HA : -0.431: 75
: 2479:A 136 LEU H :A 136 LEU 2HD1 : -0.421: 20
: 2479:A 136 LEU 2HD1 :A 136 LEU N : -0.413: 20
: 2479:A 57 PRO HA :A 76 PRO 2HD : -0.407: 20
: 2479:A 81 VAL 3HG1 :A 49 GLN 1HE2 : -0.664: 65
: 2479:A 151 VAL 3HG2 :A 133 GLU 1HG : -0.651: 61
: 2479:A 153 LEU 1HD1 :A 113 TYR HA : -0.649: 71
: 2479:A 153 LEU CD1 :A 113 TYR HA : -0.501: 71
: 2479:A 7 PHE H :A 6 GLN 1HG : -0.642: 74
: 2479:A 6 GLN 1HG :A 7 PHE N : -0.416: 74
: 2479:A 7 PHE H :A 6 GLN CG : -0.408: 74
: 2479:A 100 SER OG :A 9 CYS HA : -0.597: 51
: 2479:A 12 LYS CB :A 99 SER 1HB : -0.596: 72
: 2479:A 134 ILE 1HG1 :A 150 ARG 2HB : -0.565: 75
: 2479:A 134 ILE 2HG2 :A 58 PHE 2HB : -0.527: 41
: 2479:A 99 SER 1HB :A 12 LYS 2HB : -0.520: 72
: 2479:A 12 LYS 1HD :A 150 ARG 2HG : -0.480: 60
: 2479:A 12 LYS 1HE :A 12 LYS 1HB : -0.447: 52
: 2479:A 58 PHE HA :A 134 ILE HA : -0.437: 53
: 2479:A 149 THR 3HG2 :A 134 ILE O : -0.418: 21
: 2479:A 101 LEU 2HD1 :A 101 LEU O : -0.560: 73
: 2479:A 159 LEU 2HD1 :A 64 MET 1HB : -0.544: 34
: 2479:A 13 GLU HA :A 96 LYS HA : -0.516: 32
: 2479:A 13 GLU CD :A 13 GLU H : -0.444: 73
: 2479:A 15 ALA O :A 17 VAL 3HG2 : -0.512: 63
: 2479:A 39 TYR O :A 43 LEU 1HB : -0.495: 61
: 2479:A 4 GLU 2HG :A 5 CYS SG : -0.465: 65
: 2479:A 105 PRO 1HD :A 5 CYS SG : -0.465: 72
: 2479:A 103 ILE HA :A 147 LEU O : -0.465: 64
: 2479:A 69 PHE HE2 :A 61 TYR HD2 : -0.454: 51
: 2479:A 61 TYR CD2 :A 71 VAL 2HG1 : -0.436: 51
: 2479:A 61 TYR HD2 :A 71 VAL 2HG1 : -0.435: 51
: 2479:A 16 PRO 2HD :A 94 SER 1HB : -0.423: 44
: 2479:A 34 LEU HG :A 31 LEU O : -0.420: 20
: 2479:A 114 ASP OD2 :A 164 HIS ND1 : -0.400: 44
#sum2 ::29.04 clashscore : 11.35 clashscore B<40
#summary::2479 atoms:1233 atoms B<40:280802 potential dots:17550.0 A^2:72 bumps:14 bumps B<40:381.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 19 ALA HA :A 76 PRO HA : -1.099: 44
: 2479:A 89 THR HA :A 19 ALA O : -0.431: 65
: 2479:A 21 LEU HG :A 72 GLU 2HB : -0.929: 75
: 2479:A 74 GLY 2HA :A 21 LEU 2HB : -0.873: 2
: 2479:A 74 GLY CA :A 21 LEU 2HB : -0.659: 2
: 2479:A 72 GLU OE1 :A 60 ARG 2HD : -0.624: 51
: 2479:A 60 ARG 1HG :A 72 GLU 1HB : -0.614: 75
: 2479:A 23 ARG 2HB :A 72 GLU 1HG : -0.535: 40
: 2479:A 132 TYR HD1 :A 60 ARG 2HB : -0.531: 61
: 2479:A 60 ARG CG :A 72 GLU 1HB : -0.527: 75
: 2479:A 23 ARG CB :A 72 GLU 1HG : -0.516: 40
: 2479:A 21 LEU N :A 21 LEU 3HD1 : -0.426: 74
: 2479:A 131 ALA O :A 60 ARG HA : -0.404: 72
: 2479:A 150 ARG 1HG :A 101 LEU 2HB : -0.870: 75
: 2479:A 102 TYR CE1 :A 149 THR HB : -0.549: 44
: 2479:A 101 LEU 2HD1 :A 101 LEU O : -0.524: 71
: 2479:A 58 PHE CE1 :A 134 ILE 3HG2 : -0.517: 25
: 2479:A 101 LEU O :A 7 PHE HA : -0.509: 51
: 2479:A 101 LEU HA :A 149 THR O : -0.489: 32
: 2479:A 134 ILE 3HG2 :A 58 PHE HE1 : -0.468: 25
: 2479:A 134 ILE HB :A 150 ARG 2HB : -0.417: 61
: 2479:A 83 GLY 2HA :A 88 VAL HA : -0.790: 70
: 2479:A 20 LEU 1HD1 :A 45 LEU 3HD2 : -0.698: 64
: 2479:A 45 LEU 1HD2 :A 83 GLY 1HA : -0.580: 70
: 2479:A 83 GLY CA :A 88 VAL HA : -0.550: 70
: 2479:A 45 LEU HG :A 49 GLN 1HE2 : -0.519: 72
: 2479:A 45 LEU 1HD2 :A 82 GLU O : -0.479: 64
: 2479:A 49 GLN 2HE2 :A 81 VAL 3HG1 : -0.463: 45
: 2479:A 20 LEU 2HD2 :A 20 LEU HA : -0.413: 44
: 2479:A 153 LEU 1HD2 :A 116 LEU 3HD1 : -0.776: 44
: 2479:A 112 VAL O :A 116 LEU HG : -0.523: 44
: 2479:A 153 LEU N :A 153 LEU 2HD2 : -0.411: 44
: 2479:A 70 GLU 1HB :A 62 PHE 1HB : -0.775: 53
: 2479:A 71 VAL 2HG1 :A 61 TYR HD1 : -0.773: 63
: 2479:A 130 GLU HA :A 61 TYR O : -0.630: 41
: 2479:A 154 MET 1HB :A 130 GLU 2HB : -0.619: 55
: 2479:A 61 TYR HA :A 70 GLU O : -0.546: 33
: 2479:A 71 VAL 2HG1 :A 61 TYR CD1 : -0.469: 63
: 2479:A 154 MET 2HB :A 128 SER 1HB : -0.449: 55
: 2479:A 157 GLU O :A 128 SER 2HB : -0.425: 50
: 2479:A 156 HIS 2HB :A 154 MET SD : -0.409: 74
: 2479:A 61 TYR HE2 :A 133 GLU 2HG : -0.405: 52
: 2479:A 145 ASP O :A 103 ILE HB : -0.657: 32
: 2479:A 104 GLY 1HA :A 145 ASP H : -0.644: 74
: 2479:A 104 GLY 2HA :A 5 CYS SG : -0.593: 33
: 2479:A 103 ILE H :A 103 ILE 3HD1 : -0.590: 43
: 2479:A 103 ILE HA :A 147 LEU O : -0.577: 33
: 2479:A 105 PRO 1HD :A 5 CYS SG : -0.566: 33
: 2479:A 103 ILE 2HG2 :A 148 ARG 2HB : -0.526: 64
: 2479:A 103 ILE N :A 103 ILE 3HD1 : -0.481: 43
: 2479:A 145 ASP H :A 104 GLY CA : -0.425: 74
: 2479:A 73 PHE HA :A 59 ALA HA : -0.603: 52
: 2479:A 135 TYR HE2 :A 59 ALA 3HB : -0.466: 53
: 2479:A 22 ILE 2HD1 :A 22 ILE N : -0.425: 41
: 2479:A 73 PHE CZ :A 22 ILE HB : -0.422: 32
: 2479:A 11 LEU 1HD2 :A 96 LYS 2HD : -0.577: 33
: 2479:A 11 LEU C :A 11 LEU 3HD2 : -0.463: 33
: 2479:A 120 VAL 3HG2 :A 155 LEU 2HD1 : -0.547: 62
: 2479:A 98 ALA O :A 152 SER HA : -0.488: 13
: 2479:A 155 LEU 3HD1 :A 98 ALA 2HB : -0.445: 54
: 2479:A 141 GLU H :A 139 PRO C : -0.532: 62
: 2479:A 141 GLU 2HB :A 138 ASN O : -0.506: 33
: 2479:A 52 SER 2HB :A 53 PRO 1HD : -0.501: 74
: 2479:A 75 PHE CZ :A 53 PRO 2HB : -0.417: 64
: 2479:A 136 LEU HG :A 137 ASP N : -0.470: 63
: 2479:A 32 GLY N :A 31 LEU 2HD1 : -0.460: 74
: 2479:A 14 LEU 2HD1 :A 93 PRO O : -0.436: 12
: 2479:A 114 ASP O :A 117 MET 1HG : -0.423: 61
: 2479:A 144 PRO C :A 146 GLN H : -0.420: 60
: 2479:A 6 GLN H :A 6 GLN CD : -0.419: 61
: 2479:A 68 THR O :A 161 HIS HE1 : -0.419: 42
: 2479:A 18 PRO 1HD :A 17 VAL CG1 : -0.417: 60
: 2479:A 127 LEU N :A 127 LEU 2HD1 : -0.405: 63
#sum2 ::29.45 clashscore : 12.75 clashscore B<40
#summary::2479 atoms:1255 atoms B<40:280862 potential dots:17550.0 A^2:73 bumps:16 bumps B<40:390.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 127 LEU 2HD1 :A 155 LEU 2HD1 : -0.752: 60
: 2479:A 126 ASP HA :A 155 LEU O : -0.623: 51
: 2479:A 155 LEU 1HB :A 127 LEU 1HB : -0.478: 24
: 2479:A 120 VAL 1HG2 :A 155 LEU 2HB : -0.462: 3
: 2479:A 148 ARG 2HG :A 136 LEU 1HB : -0.719: 75
: 2479:A 136 LEU H :A 136 LEU 2HD2 : -0.446: 60
: 2479:A 136 LEU 2HD2 :A 136 LEU N : -0.409: 60
: 2479:A 101 LEU HG :A 150 ARG 1HG : -0.700: 42
: 2479:A 138 ASN OD1 :A 139 PRO 1HD : -0.675: 71
: 2479:A 142 THR CG2 :A 147 LEU 2HB : -0.541: 40
: 2479:A 147 LEU H :A 147 LEU 3HD2 : -0.538: 63
: 2479:A 141 GLU H :A 139 PRO C : -0.412: 12
: 2479:A 139 PRO HA :A 147 LEU 3HD1 : -0.411: 74
: 2479:A 151 VAL 3HG2 :A 133 GLU 1HG : -0.618: 34
: 2479:A 151 VAL HA :A 133 GLU HA : -0.472: 70
: 2479:A 16 PRO 2HB :A 91 LEU 3HD2 : -0.614: 42
: 2479:A 90 GLY O :A 18 PRO HA : -0.575: 56
: 2479:A 17 VAL O :A 91 LEU HA : -0.528: 64
: 2479:A 91 LEU 3HD1 :A 91 LEU H : -0.527: 25
: 2479:A 92 THR O :A 16 PRO HA : -0.473: 54
: 2479:A 91 LEU 2HD2 :A 91 LEU C : -0.463: 72
: 2479:A 18 PRO 1HD :A 17 VAL 3HG1 : -0.420: 25
: 2479:A 91 LEU N :A 91 LEU 3HD1 : -0.409: 25
: 2479:A 11 LEU 1HB :A 119 TRP CH2 : -0.601: 40
: 2479:A 94 SER HA :A 14 LEU O : -0.601: 63
: 2479:A 96 LYS 1HG :A 11 LEU 1HD1 : -0.484: 74
: 2479:A 103 ILE HB :A 5 CYS HA : -0.597: 71
: 2479:A 103 ILE CG2 :A 145 ASP HA : -0.558: 73
: 2479:A 41 ASP O :A 42 ILE 1HG1 : -0.594: 64
: 2479:A 41 ASP C :A 43 LEU H : -0.495: 32
: 2479:A 132 TYR HA :A 59 ALA O : -0.592: 31
: 2479:A 73 PHE HA :A 59 ALA HA : -0.482: 74
: 2479:A 132 TYR HE2 :A 134 ILE 1HD1 : -0.421: 64
: 2479:A 75 PHE HE1 :A 46 LEU HG : -0.579: 32
: 2479:A 46 LEU HG :A 75 PHE CE1 : -0.404: 32
: 2479:A 10 GLU 2HG :A 8 VAL 2HG1 : -0.574: 22
: 2479:A 47 ALA HA :A 51 LYS O : -0.548: 51
: 2479:A 22 ILE CD1 :A 87 VAL HA : -0.541: 30
: 2479:A 20 LEU 1HB :A 77 VAL 1HG1 : -0.482: 71
: 2479:A 20 LEU 1HD2 :A 87 VAL 3HG1 : -0.480: 52
: 2479:A 72 GLU 2HG :A 22 ILE C : -0.418: 71
: 2479:A 22 ILE 2HG2 :A 23 ARG H : -0.406: 44
: 2479:A 19 ALA HA :A 76 PRO HA : -0.504: 21
: 2479:A 36 GLU HA :A 39 TYR CE2 : -0.494: 62
: 2479:A 36 GLU O :A 40 HIS 1HB : -0.412: 54
: 2479:A 26 THR 2HG2 :A 30 GLU 2HB : -0.482: 75
: 2479:A 70 GLU 2HB :A 62 PHE 2HB : -0.465: 33
: 2479:A 62 PHE HD1 :A 130 GLU 1HG : -0.436: 60
: 2479:A 154 MET 1HB :A 154 MET 2HE : -0.464: 64
: 2479:A 156 HIS H :A 154 MET C : -0.406: 41
: 2479:A 57 PRO 2HD :A 56 PRO HA : -0.428: 51
: 2479:A 146 GLN H :A 144 PRO C : -0.409: 14
: 2479:A 45 LEU C :A 45 LEU 3HD2 : -0.407: 74
: 2479:A 112 VAL 3HG1 :A 113 TYR HD1 : -0.404: 44
: 2479:A 113 TYR CB :A 161 HIS HE1 : -0.402: 31
#sum2 ::22.19 clashscore : 14.24 clashscore B<40
#summary::2479 atoms:1194 atoms B<40:280869 potential dots:17550.0 A^2:55 bumps:17 bumps B<40:500.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 70 GLU 2HB :A 62 PHE 2HB : -0.965: 61
: 2479:A 70 GLU 2HB :A 62 PHE CB : -0.473: 61
: 2479:A 75 PHE 2HB :A 57 PRO HA : -0.901: 62
: 2479:A 75 PHE 2HB :A 57 PRO CA : -0.559: 62
: 2479:A 57 PRO HA :A 75 PHE CB : -0.493: 62
: 2479:A 153 LEU 2HD2 :A 116 LEU 1HD1 : -0.844: 31
: 2479:A 98 ALA 3HB :A 153 LEU 1HD2 : -0.717: 31
: 2479:A 153 LEU H :A 153 LEU 3HD2 : -0.708: 31
: 2479:A 120 VAL 1HG2 :A 153 LEU 1HD1 : -0.679: 33
: 2479:A 130 GLU 2HB :A 127 LEU 2HD1 : -0.671: 55
: 2479:A 69 PHE CE2 :A 61 TYR 2HB : -0.651: 30
: 2479:A 69 PHE HE2 :A 61 TYR 2HB : -0.628: 30
: 2479:A 153 LEU 2HD1 :A 127 LEU 1HB : -0.626: 52
: 2479:A 153 LEU CD2 :A 98 ALA 3HB : -0.542: 31
: 2479:A 116 LEU O :A 120 VAL 3HG2 : -0.501: 30
: 2479:A 127 LEU 3HD2 :A 153 LEU 2HD1 : -0.481: 33
: 2479:A 116 LEU 3HD2 :A 100 SER 2HB : -0.469: 64
: 2479:A 130 GLU HA :A 61 TYR O : -0.463: 41
: 2479:A 127 LEU 2HD2 :A 126 ASP C : -0.460: 25
: 2479:A 116 LEU C :A 116 LEU 3HD1 : -0.451: 24
: 2479:A 153 LEU HA :A 131 ALA HA : -0.438: 71
: 2479:A 126 ASP O :A 127 LEU 2HD2 : -0.437: 42
: 2479:A 69 PHE HE2 :A 61 TYR HD2 : -0.401: 30
: 2479:A 45 LEU 1HD2 :A 83 GLY 1HA : -0.828: 70
: 2479:A 19 ALA HA :A 76 PRO HA : -0.727: 35
: 2479:A 87 VAL 3HG1 :A 42 ILE 2HG1 : -0.725: 74
: 2479:A 87 VAL HB :A 45 LEU 3HD2 : -0.673: 34
: 2479:A 87 VAL HA :A 22 ILE 3HD1 : -0.543: 30
: 2479:A 20 LEU 2HD1 :A 87 VAL 2HG1 : -0.535: 21
: 2479:A 42 ILE HA :A 87 VAL 2HG2 : -0.529: 71
: 2479:A 83 GLY 1HA :A 45 LEU CD2 : -0.500: 70
: 2479:A 42 ILE CG2 :A 39 TYR HA : -0.484: 53
: 2479:A 39 TYR HA :A 42 ILE 2HG2 : -0.483: 53
: 2479:A 89 THR HA :A 19 ALA O : -0.472: 53
: 2479:A 22 ILE CD1 :A 87 VAL HA : -0.469: 30
: 2479:A 45 LEU 1HD2 :A 83 GLY CA : -0.467: 70
: 2479:A 22 ILE 1HD1 :A 87 VAL 2HG2 : -0.452: 54
: 2479:A 42 ILE HA :A 87 VAL CG2 : -0.447: 71
: 2479:A 58 PHE CD1 :A 76 PRO 2HD : -0.426: 52
: 2479:A 20 LEU 2HD2 :A 89 THR HB : -0.425: 64
: 2479:A 46 LEU HG :A 51 LYS 2HG : -0.807: 64
: 2479:A 94 SER 1HB :A 16 PRO 2HG : -0.807: 63
: 2479:A 46 LEU HG :A 51 LYS CG : -0.678: 64
: 2479:A 51 LYS 2HD :A 51 LYS H : -0.655: 25
: 2479:A 51 LYS 1HE :A 51 LYS O : -0.642: 73
: 2479:A 46 LEU O :A 51 LYS 2HB : -0.605: 4
: 2479:A 46 LEU HG :A 51 LYS CB : -0.595: 54
: 2479:A 51 LYS CD :A 47 ALA HA : -0.590: 44
: 2479:A 51 LYS 1HD :A 47 ALA HA : -0.499: 44
: 2479:A 15 ALA HA :A 16 PRO 2HD : -0.417: 55
: 2479:A 21 LEU 2HD2 :A 72 GLU 2HB : -0.780: 64
: 2479:A 74 GLY 2HA :A 21 LEU 2HB : -0.766: 70
: 2479:A 72 GLU 1HB :A 60 ARG 2HB : -0.595: 64
: 2479:A 72 GLU OE1 :A 60 ARG 2HD : -0.586: 21
: 2479:A 60 ARG O :A 71 VAL HA : -0.529: 52
: 2479:A 74 GLY 2HA :A 21 LEU CB : -0.478: 70
: 2479:A 60 ARG HA :A 132 TYR HA : -0.454: 62
: 2479:A 152 SER 2HB :A 132 TYR CE1 : -0.421: 62
: 2479:A 104 GLY 1HA :A 145 ASP HA : -0.764: 43
: 2479:A 81 VAL HB :A 77 VAL 1HG2 : -0.734: 72
: 2479:A 77 VAL 2HG2 :A 18 PRO O : -0.465: 75
: 2479:A 17 VAL 3HG2 :A 18 PRO 1HD : -0.453: 51
: 2479:A 77 VAL HA :A 53 PRO HA : -0.432: 23
: 2479:A 137 ASP 2HB :A 142 THR 1HG2 : -0.618: 54
: 2479:A 136 LEU 1HB :A 148 ARG 2HB : -0.580: 62
: 2479:A 142 THR CG2 :A 137 ASP 2HB : -0.545: 54
: 2479:A 148 ARG CB :A 136 LEU 1HB : -0.534: 62
: 2479:A 136 LEU H :A 136 LEU 2HD2 : -0.524: 72
: 2479:A 137 ASP OD1 :A 148 ARG 2HG : -0.488: 5
: 2479:A 148 ARG N :A 147 LEU 3HD1 : -0.428: 63
: 2479:A 136 LEU N :A 136 LEU 2HD2 : -0.403: 72
: 2479:A 13 GLU 2HG :A 96 LYS 1HE : -0.556: 53
: 2479:A 11 LEU 1HD1 :A 96 LYS 2HB : -0.463: 43
: 2479:A 78 GLU 1HB :A 52 SER 1HB : -0.551: 70
: 2479:A 54 SER 1HB :A 78 GLU HA : -0.478: 71
: 2479:A 97 ALA 3HB :A 14 LEU 3HD2 : -0.539: 42
: 2479:A 14 LEU CD1 :A 92 THR HB : -0.469: 64
: 2479:A 30 GLU O :A 34 LEU 3HD2 : -0.520: 5
: 2479:A 146 GLN HA :A 103 ILE 1HD1 : -0.516: 74
: 2479:A 25 GLN 2HB :A 68 THR HB : -0.513: 20
: 2479:A 134 ILE 2HD1 :A 134 ILE H : -0.506: 33
: 2479:A 151 VAL HA :A 133 GLU HA : -0.440: 44
: 2479:A 150 ARG O :A 133 GLU HA : -0.417: 44
: 2479:A 139 PRO 2HD :A 138 ASN HA : -0.434: 74
: 2479:A 141 GLU H :A 139 PRO C : -0.419: 60
: 2479:A 105 PRO 2HG :A 2 ASP HA : -0.411: 61
: 2479:A 31 LEU 3HD1 :A 31 LEU HA : -0.409: 43
: 2479:A 86 ARG 1HH1 :A 86 ARG 2HD : -0.403: 41
#sum2 ::35.50 clashscore : 20.76 clashscore B<40
#summary::2479 atoms:1204 atoms B<40:280763 potential dots:17550.0 A^2:88 bumps:25 bumps B<40:339.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 70 GLU HA :A 25 GLN HA : -0.829: 12
: 2479:A 61 TYR 2HB :A 71 VAL 2HG1 : -0.798: 73
: 2479:A 24 THR O :A 71 VAL 2HG2 : -0.587: 65
: 2479:A 71 VAL 2HG1 :A 61 TYR CB : -0.537: 73
: 2479:A 61 TYR HA :A 70 GLU O : -0.447: 33
: 2479:A 113 TYR 2HB :A 110 GLU HA : -0.821: 43
: 2479:A 116 LEU HG :A 153 LEU 3HD2 : -0.813: 34
: 2479:A 113 TYR CB :A 110 GLU HA : -0.699: 43
: 2479:A 151 VAL 3HG2 :A 133 GLU 1HG : -0.674: 70
: 2479:A 153 LEU 1HB :A 116 LEU 2HB : -0.650: 4
: 2479:A 153 LEU 3HD2 :A 116 LEU CG : -0.548: 34
: 2479:A 113 TYR 2HB :A 110 GLU CA : -0.505: 43
: 2479:A 153 LEU CD2 :A 151 VAL 2HG2 : -0.467: 70
: 2479:A 153 LEU 1HB :A 116 LEU CB : -0.436: 4
: 2479:A 153 LEU 3HD1 :A 153 LEU HA : -0.423: 75
: 2479:A 116 LEU 3HD2 :A 113 TYR HA : -0.408: 34
: 2479:A 116 LEU HG :A 153 LEU CD2 : -0.406: 34
: 2479:A 153 LEU 2HD2 :A 151 VAL 2HG2 : -0.401: 70
: 2479:A 152 SER 1HB :A 132 TYR 2HB : -0.810: 65
: 2479:A 152 SER HA :A 99 SER HA : -0.460: 63
: 2479:A 45 LEU 3HD2 :A 84 SER 1HB : -0.764: 41
: 2479:A 84 SER 1HB :A 45 LEU CD2 : -0.452: 41
: 2479:A 101 LEU HA :A 150 ARG HA : -0.758: 35
: 2479:A 150 ARG 2HB :A 101 LEU 2HB : -0.655: 61
: 2479:A 134 ILE 1HD1 :A 150 ARG 1HG : -0.640: 75
: 2479:A 150 ARG O :A 150 ARG 2HG : -0.536: 1
: 2479:A 101 LEU 2HD1 :A 101 LEU O : -0.401: 52
: 2479:A 68 THR HA :A 27 ALA 2HB : -0.690: 35
: 2479:A 11 LEU 3HD1 :A 123 ASN 1HD2 : -0.688: 24
: 2479:A 123 ASN OD1 :A 125 PHE 1HB : -0.536: 35
: 2479:A 31 LEU 1HD2 :A 69 PHE HE1 : -0.616: 44
: 2479:A 63 GLY 2HA :A 69 PHE HA : -0.527: 62
: 2479:A 31 LEU 1HD2 :A 69 PHE CE1 : -0.474: 44
: 2479:A 31 LEU 2HB :A 35 PHE CE2 : -0.453: 24
: 2479:A 35 PHE HA :A 73 PHE HE1 : -0.401: 53
: 2479:A 72 GLU 1HG :A 60 ARG 1HG : -0.593: 41
: 2479:A 21 LEU 1HB :A 72 GLU 1HB : -0.587: 25
: 2479:A 60 ARG 1HG :A 72 GLU CG : -0.567: 41
: 2479:A 64 MET 2HG :A 159 LEU CD2 : -0.567: 73
: 2479:A 21 LEU N :A 21 LEU 3HD1 : -0.490: 62
: 2479:A 21 LEU H :A 21 LEU 3HD1 : -0.474: 62
: 2479:A 64 MET SD :A 64 MET N : -0.470: 72
: 2479:A 60 ARG HE :A 130 GLU 2HG : -0.469: 74
: 2479:A 130 GLU HA :A 64 MET 2HE : -0.456: 54
: 2479:A 64 MET 2HG :A 159 LEU 2HD2 : -0.452: 73
: 2479:A 159 LEU 3HD1 :A 159 LEU HA : -0.434: 71
: 2479:A 130 GLU HA :A 64 MET CE : -0.408: 54
: 2479:A 83 GLY 2HA :A 87 VAL O : -0.574: 65
: 2479:A 4 GLU 1HB :A 6 GLN 2HE2 : -0.574: 50
: 2479:A 3 PHE O :A 4 GLU 1HB : -0.438: 63
: 2479:A 119 TRP HE3 :A 119 TRP O : -0.573: 64
: 2479:A 119 TRP CD1 :A 9 CYS 1HB : -0.554: 74
: 2479:A 98 ALA 1HB :A 119 TRP CD1 : -0.461: 74
: 2479:A 76 PRO 1HB :A 54 SER H : -0.554: 52
: 2479:A 127 LEU 2HD2 :A 126 ASP C : -0.554: 74
: 2479:A 53 PRO 2HB :A 76 PRO 1HD : -0.460: 31
: 2479:A 155 LEU O :A 156 HIS 2HB : -0.426: 61
: 2479:A 156 HIS O :A 157 GLU 2HB : -0.415: 5
: 2479:A 127 LEU H :A 155 LEU 1HB : -0.409: 33
: 2479:A 135 TYR O :A 57 PRO 1HD : -0.542: 73
: 2479:A 75 PHE CD2 :A 57 PRO 2HB : -0.408: 54
: 2479:A 26 THR OG1 :A 30 GLU 2HB : -0.495: 64
: 2479:A 43 LEU 2HD1 :A 40 HIS HA : -0.493: 51
: 2479:A 37 ALA HA :A 40 HIS CD2 : -0.469: 43
: 2479:A 39 TYR O :A 43 LEU HG : -0.468: 33
: 2479:A 40 HIS NE2 :A 37 ALA HA : -0.462: 22
: 2479:A 96 LYS 2HD :A 13 GLU 2HB : -0.491: 35
: 2479:A 95 GLY O :A 13 GLU HA : -0.475: 34
: 2479:A 111 ALA H :A 108 GLU 2HG : -0.479: 60
: 2479:A 89 THR HA :A 19 ALA O : -0.467: 60
: 2479:A 117 MET O :A 120 VAL 2HG1 : -0.467: 74
: 2479:A 89 THR HB :A 20 LEU 3HD2 : -0.452: 71
: 2479:A 117 MET 2HG :A 114 ASP O : -0.452: 65
: 2479:A 20 LEU HG :A 77 VAL CG1 : -0.440: 71
: 2479:A 112 VAL 2HG2 :A 100 SER 2HB : -0.464: 15
: 2479:A 154 MET CE :A 158 SER HA : -0.460: 44
: 2479:A 154 MET SD :A 154 MET N : -0.414: 24
: 2479:A 154 MET 3HE :A 158 SER HA : -0.413: 44
: 2479:A 23 ARG N :A 22 ILE 3HD1 : -0.459: 2
: 2479:A 136 LEU HA :A 56 PRO 2HB : -0.459: 21
: 2479:A 137 ASP H :A 136 LEU 2HB : -0.458: 64
: 2479:A 86 ARG 1HG :A 22 ILE 2HG1 : -0.456: 72
: 2479:A 62 PHE HZ :A 23 ARG 2HD : -0.448: 13
: 2479:A 144 PRO HA :A 147 LEU 3HD2 : -0.426: 22
: 2479:A 141 GLU H :A 139 PRO C : -0.424: 45
: 2479:A 93 PRO 2HD :A 92 THR HA : -0.401: 41
#sum2 ::34.69 clashscore : 22.12 clashscore B<40
#summary::2479 atoms:1266 atoms B<40:280980 potential dots:17560.0 A^2:86 bumps:28 bumps B<40:362.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 132 TYR HD1 :A 60 ARG 2HB : -1.007: 52
: 2479:A 22 ILE 2HG1 :A 87 VAL HB : -0.792: 11
: 2479:A 89 THR HA :A 20 LEU HA : -0.789: 54
: 2479:A 62 PHE HD1 :A 130 GLU 1HG : -0.754: 65
: 2479:A 74 GLY 2HA :A 21 LEU 3HD2 : -0.754: 54
: 2479:A 60 ARG 2HB :A 132 TYR CD1 : -0.737: 52
: 2479:A 20 LEU 3HD1 :A 87 VAL 1HG2 : -0.732: 71
: 2479:A 60 ARG 2HG :A 72 GLU O : -0.648: 73
: 2479:A 20 LEU 2HB :A 89 THR HB : -0.611: 32
: 2479:A 84 SER 1HB :A 45 LEU 1HD2 : -0.610: 24
: 2479:A 72 GLU OE1 :A 60 ARG 1HD : -0.584: 74
: 2479:A 75 PHE CZ :A 20 LEU 1HD1 : -0.582: 53
: 2479:A 21 LEU 2HB :A 72 GLU CG : -0.552: 72
: 2479:A 23 ARG 1HB :A 72 GLU OE2 : -0.518: 70
: 2479:A 62 PHE HD1 :A 130 GLU CG : -0.518: 65
: 2479:A 22 ILE 2HG1 :A 87 VAL CB : -0.493: 11
: 2479:A 20 LEU 2HD1 :A 20 LEU O : -0.491: 41
: 2479:A 84 SER H :A 87 VAL CG1 : -0.489: 63
: 2479:A 22 ILE 2HD1 :A 22 ILE N : -0.480: 22
: 2479:A 46 LEU 1HD1 :A 75 PHE HE1 : -0.477: 61
: 2479:A 21 LEU 2HB :A 72 GLU 1HG : -0.432: 72
: 2479:A 130 GLU 1HG :A 62 PHE CD1 : -0.428: 65
: 2479:A 20 LEU 3HD1 :A 87 VAL CG2 : -0.421: 71
: 2479:A 60 ARG HE :A 130 GLU CD : -0.421: 40
: 2479:A 22 ILE O :A 72 GLU HA : -0.404: 55
: 2479:A 151 VAL HA :A 133 GLU 2HB : -0.831: 44
: 2479:A 99 SER HA :A 151 VAL O : -0.559: 42
: 2479:A 151 VAL HA :A 133 GLU CB : -0.491: 44
: 2479:A 25 GLN 1HG :A 70 GLU 1HG : -0.823: 34
: 2479:A 31 LEU H :A 31 LEU 3HD1 : -0.823: 44
: 2479:A 71 VAL 1HG1 :A 31 LEU 2HB : -0.678: 43
: 2479:A 31 LEU H :A 31 LEU CD1 : -0.655: 44
: 2479:A 30 GLU O :A 34 LEU HG : -0.548: 64
: 2479:A 34 LEU 2HB :A 24 THR 1HG2 : -0.535: 32
: 2479:A 31 LEU 3HD1 :A 31 LEU N : -0.509: 44
: 2479:A 34 LEU 2HD1 :A 31 LEU HA : -0.508: 61
: 2479:A 32 GLY N :A 31 LEU 2HD2 : -0.504: 12
: 2479:A 71 VAL 1HG1 :A 31 LEU CB : -0.478: 43
: 2479:A 64 MET SD :A 69 PHE HE1 : -0.408: 75
: 2479:A 69 PHE HD2 :A 26 THR CG2 : -0.406: 74
: 2479:A 71 VAL 3HG1 :A 26 THR 2HG2 : -0.406: 74
: 2479:A 148 ARG HA :A 102 TYR O : -0.750: 63
: 2479:A 102 TYR CG :A 149 THR 2HG2 : -0.659: 71
: 2479:A 102 TYR CD1 :A 149 THR 2HG2 : -0.622: 71
: 2479:A 149 THR H :A 102 TYR 1HB : -0.591: 30
: 2479:A 112 VAL 1HG1 :A 102 TYR CE2 : -0.482: 61
: 2479:A 101 LEU HA :A 149 THR O : -0.447: 61
: 2479:A 102 TYR CZ :A 112 VAL 1HG1 : -0.420: 61
: 2479:A 73 PHE HA :A 59 ALA HA : -0.727: 63
: 2479:A 76 PRO 2HG :A 58 PHE CZ : -0.684: 44
: 2479:A 58 PHE CD1 :A 134 ILE 2HD1 : -0.594: 42
: 2479:A 58 PHE HD1 :A 134 ILE 3HG2 : -0.516: 54
: 2479:A 58 PHE CD1 :A 134 ILE 3HG2 : -0.490: 54
: 2479:A 58 PHE 1HB :A 73 PHE O : -0.428: 53
: 2479:A 136 LEU H :A 134 ILE 2HG2 : -0.414: 73
: 2479:A 8 VAL O :A 100 SER HA : -0.649: 71
: 2479:A 150 ARG 2HH2 :A 14 LEU 2HD2 : -0.635: 72
: 2479:A 14 LEU 2HD2 :A 150 ARG NH2 : -0.442: 72
: 2479:A 1 MET HA :A 145 ASP OD2 : -0.595: 31
: 2479:A 154 MET CE :A 154 MET HA : -0.584: 72
: 2479:A 153 LEU HG :A 128 SER OG : -0.540: 42
: 2479:A 154 MET 1HB :A 128 SER 1HB : -0.484: 71
: 2479:A 3 PHE CE2 :A 5 CYS 1HB : -0.555: 73
: 2479:A 5 CYS 1HB :A 3 PHE HE2 : -0.536: 73
: 2479:A 156 HIS N :A 155 LEU 3HD1 : -0.545: 62
: 2479:A 155 LEU 2HD2 :A 155 LEU HA : -0.427: 73
: 2479:A 11 LEU 2HD1 :A 11 LEU O : -0.512: 24
: 2479:A 11 LEU HA :A 97 ALA O : -0.467: 24
: 2479:A 13 GLU CD :A 13 GLU H : -0.475: 13
: 2479:A 95 GLY O :A 13 GLU HA : -0.457: 70
: 2479:A 91 LEU 3HD2 :A 18 PRO HA : -0.443: 75
: 2479:A 36 GLU O :A 40 HIS 1HB : -0.411: 74
#sum2 ::29.04 clashscore : 11.21 clashscore B<40
#summary::2479 atoms:1160 atoms B<40:280879 potential dots:17550.0 A^2:72 bumps:13 bumps B<40:365.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 56 PRO 1HG :A 134 ILE 1HD1 : -0.844: 65
: 2479:A 73 PHE 2HB :A 22 ILE 3HD1 : -0.749: 64
: 2479:A 22 ILE O :A 72 GLU HA : -0.737: 62
: 2479:A 39 TYR HA :A 42 ILE 2HG2 : -0.700: 53
: 2479:A 136 LEU 3HD1 :A 136 LEU H : -0.699: 75
: 2479:A 75 PHE 2HB :A 57 PRO HA : -0.600: 74
: 2479:A 75 PHE HE2 :A 42 ILE 3HD1 : -0.594: 41
: 2479:A 136 LEU HA :A 56 PRO CB : -0.585: 72
: 2479:A 87 VAL 3HG1 :A 83 GLY 1HA : -0.575: 63
: 2479:A 77 VAL 1HG1 :A 20 LEU HG : -0.558: 72
: 2479:A 77 VAL 2HG2 :A 19 ALA HA : -0.537: 65
: 2479:A 136 LEU HA :A 56 PRO 1HB : -0.533: 72
: 2479:A 20 LEU O :A 74 GLY 1HA : -0.529: 75
: 2479:A 149 THR 1HG2 :A 106 TYR HE1 : -0.525: 44
: 2479:A 136 LEU N :A 136 LEU 3HD1 : -0.518: 75
: 2479:A 35 PHE CE2 :A 31 LEU HG : -0.504: 43
: 2479:A 76 PRO 2HD :A 58 PHE HE1 : -0.504: 51
: 2479:A 81 VAL 1HG1 :A 20 LEU 1HD1 : -0.498: 40
: 2479:A 20 LEU CD2 :A 89 THR HB : -0.487: 63
: 2479:A 58 PHE HA :A 134 ILE HA : -0.475: 55
: 2479:A 76 PRO 1HB :A 54 SER 1HB : -0.469: 74
: 2479:A 39 TYR HA :A 42 ILE CG2 : -0.455: 53
: 2479:A 87 VAL CG2 :A 20 LEU 2HB : -0.454: 51
: 2479:A 134 ILE 2HD1 :A 58 PHE CE2 : -0.452: 62
: 2479:A 83 GLY 2HA :A 88 VAL HA : -0.448: 75
: 2479:A 149 THR 3HG2 :A 134 ILE O : -0.444: 44
: 2479:A 57 PRO 2HB :A 73 PHE CE2 : -0.441: 32
: 2479:A 42 ILE 3HD1 :A 75 PHE CE2 : -0.440: 41
: 2479:A 22 ILE 3HG2 :A 86 ARG O : -0.436: 31
: 2479:A 58 PHE CD2 :A 134 ILE HB : -0.434: 54
: 2479:A 87 VAL 1HG2 :A 20 LEU 2HB : -0.431: 51
: 2479:A 39 TYR HD1 :A 35 PHE O : -0.424: 64
: 2479:A 76 PRO HA :A 19 ALA CB : -0.422: 53
: 2479:A 57 PRO 2HD :A 56 PRO HA : -0.421: 63
: 2479:A 19 ALA 1HB :A 75 PHE O : -0.420: 22
: 2479:A 22 ILE 2HG1 :A 87 VAL HA : -0.420: 53
: 2479:A 39 TYR HE1 :A 36 GLU HA : -0.416: 53
: 2479:A 75 PHE HA :A 76 PRO 2HD : -0.415: 73
: 2479:A 81 VAL CG1 :A 20 LEU 1HD1 : -0.408: 40
: 2479:A 42 ILE 2HG2 :A 39 TYR CA : -0.400: 53
: 2479:A 103 ILE 2HD1 :A 148 ARG 1HG : -0.823: 74
: 2479:A 5 CYS SG :A 103 ILE 1HG1 : -0.565: 72
: 2479:A 148 ARG 1HG :A 103 ILE CD1 : -0.542: 74
: 2479:A 127 LEU 2HD1 :A 127 LEU H : -0.786: 14
: 2479:A 154 MET 2HG :A 131 ALA 2HB : -0.747: 44
: 2479:A 154 MET 2HG :A 131 ALA CB : -0.452: 44
: 2479:A 147 LEU 3HD1 :A 139 PRO 2HB : -0.740: 52
: 2479:A 142 THR OG1 :A 147 LEU 1HD2 : -0.502: 54
: 2479:A 138 ASN HA :A 139 PRO 2HD : -0.446: 74
: 2479:A 139 PRO 1HG :A 105 PRO HA : -0.418: 55
: 2479:A 158 SER H :A 157 GLU 1HG : -0.707: 22
: 2479:A 120 VAL 1HG1 :A 157 GLU H : -0.618: 45
: 2479:A 163 HIS HA :A 160 GLU OE1 : -0.434: 54
: 2479:A 158 SER C :A 160 GLU H : -0.422: 41
: 2479:A 158 SER H :A 157 GLU CG : -0.413: 22
: 2479:A 33 SER 2HB :A 30 GLU 2HG : -0.697: 64
: 2479:A 30 GLU O :A 34 LEU HG : -0.429: 72
: 2479:A 155 LEU 3HD1 :A 125 PHE 2HB : -0.681: 43
: 2479:A 155 LEU 1HB :A 126 ASP C : -0.665: 23
: 2479:A 125 PHE HD2 :A 123 ASN 2HB : -0.605: 71
: 2479:A 155 LEU 3HD1 :A 125 PHE CB : -0.440: 43
: 2479:A 14 LEU 1HB :A 94 SER 1HB : -0.669: 63
: 2479:A 93 PRO HA :A 16 PRO 2HB : -0.650: 74
: 2479:A 91 LEU O :A 93 PRO 2HD : -0.437: 62
: 2479:A 133 GLU 1HG :A 61 TYR HE1 : -0.630: 75
: 2479:A 153 LEU 2HB :A 116 LEU 2HD2 : -0.630: 52
: 2479:A 26 THR 2HG2 :A 69 PHE 2HB : -0.606: 70
: 2479:A 63 GLY 2HA :A 69 PHE CE2 : -0.586: 64
: 2479:A 61 TYR 2HB :A 71 VAL 2HG1 : -0.581: 72
: 2479:A 61 TYR 1HB :A 69 PHE HE1 : -0.544: 44
: 2479:A 9 CYS SG :A 116 LEU HG : -0.529: 72
: 2479:A 26 THR CG2 :A 69 PHE 2HB : -0.524: 70
: 2479:A 61 TYR 1HB :A 69 PHE CE1 : -0.464: 44
: 2479:A 99 SER O :A 9 CYS HA : -0.431: 71
: 2479:A 100 SER 2HB :A 9 CYS 1HB : -0.427: 10
: 2479:A 116 LEU 1HB :A 112 VAL O : -0.420: 40
: 2479:A 25 GLN NE2 :A 25 GLN H : -0.617: 73
: 2479:A 25 GLN H :A 25 GLN CD : -0.476: 42
: 2479:A 11 LEU 1HB :A 119 TRP CH2 : -0.599: 74
: 2479:A 11 LEU 1HD1 :A 96 LYS 2HB : -0.481: 34
: 2479:A 79 GLY O :A 51 LYS 1HE : -0.593: 51
: 2479:A 132 TYR HA :A 59 ALA O : -0.488: 51
: 2479:A 143 ALA 3HB :A 146 GLN OE1 : -0.474: 62
: 2479:A 143 ALA 1HB :A 144 PRO 1HD : -0.450: 61
: 2479:A 21 LEU H :A 21 LEU 3HD2 : -0.445: 63
: 2479:A 159 LEU HG :A 159 LEU H : -0.437: 73
: 2479:A 95 GLY O :A 13 GLU HA : -0.432: 55
: 2479:A 60 ARG 2HB :A 130 GLU OE1 : -0.405: 45
#sum2 ::35.50 clashscore : 7.33 clashscore B<40
#summary::2479 atoms:1227 atoms B<40:280666 potential dots:17540.0 A^2:88 bumps:9 bumps B<40:310.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 149 THR HB :A 102 TYR 2HB : -0.961: 52
: 2479:A 102 TYR HE2 :A 106 TYR HA : -0.597: 45
: 2479:A 106 TYR HE2 :A 149 THR 1HG2 : -0.515: 45
: 2479:A 106 TYR HA :A 102 TYR CE2 : -0.430: 45
: 2479:A 148 ARG 2HD :A 101 LEU 3HD1 : -0.895: 71
: 2479:A 153 LEU 1HD2 :A 116 LEU HG : -0.884: 63
: 2479:A 116 LEU 2HD1 :A 98 ALA 1HB : -0.772: 52
: 2479:A 9 CYS 2HB :A 116 LEU 3HD1 : -0.588: 52
: 2479:A 153 LEU 1HD2 :A 116 LEU CG : -0.580: 63
: 2479:A 98 ALA O :A 152 SER HA : -0.414: 71
: 2479:A 153 LEU N :A 153 LEU 3HD2 : -0.406: 74
: 2479:A 150 ARG 1HB :A 134 ILE HB : -0.867: 14
: 2479:A 134 ILE 1HG1 :A 58 PHE HD1 : -0.502: 44
: 2479:A 134 ILE 1HG1 :A 58 PHE CD1 : -0.400: 44
: 2479:A 125 PHE HD2 :A 155 LEU HG : -0.806: 44
: 2479:A 97 ALA HA :A 155 LEU 1HD2 : -0.675: 51
: 2479:A 126 ASP 1HB :A 156 HIS 2HB : -0.490: 42
: 2479:A 125 PHE O :A 155 LEU 2HB : -0.432: 43
: 2479:A 126 ASP HA :A 155 LEU 1HB : -0.418: 74
: 2479:A 120 VAL 1HG2 :A 155 LEU O : -0.400: 44
: 2479:A 61 TYR 2HB :A 71 VAL 2HG1 : -0.788: 72
: 2479:A 96 LYS 2HD :A 13 GLU 2HB : -0.788: 72
: 2479:A 71 VAL 1HG1 :A 31 LEU 1HD2 : -0.683: 70
: 2479:A 70 GLU HA :A 25 GLN HA : -0.673: 51
: 2479:A 60 ARG 2HG :A 132 TYR CE2 : -0.600: 74
: 2479:A 61 TYR CE2 :A 131 ALA 3HB : -0.543: 51
: 2479:A 95 GLY O :A 13 GLU HA : -0.510: 31
: 2479:A 131 ALA O :A 60 ARG HA : -0.487: 74
: 2479:A 61 TYR HA :A 70 GLU O : -0.460: 74
: 2479:A 96 LYS 1HE :A 96 LYS 1HB : -0.445: 52
: 2479:A 137 ASP O :A 139 PRO 2HD : -0.651: 64
: 2479:A 147 LEU 1HD2 :A 139 PRO 2HG : -0.607: 61
: 2479:A 141 GLU H :A 139 PRO C : -0.590: 44
: 2479:A 139 PRO 2HG :A 147 LEU CD2 : -0.496: 61
: 2479:A 137 ASP 1HB :A 147 LEU 2HD1 : -0.444: 13
: 2479:A 137 ASP 1HB :A 147 LEU CG : -0.424: 72
: 2479:A 137 ASP 1HB :A 147 LEU CD1 : -0.414: 13
: 2479:A 143 ALA H :A 141 GLU C : -0.412: 61
: 2479:A 147 LEU 3HD1 :A 147 LEU HA : -0.400: 14
: 2479:A 62 PHE HD1 :A 130 GLU 2HG : -0.625: 35
: 2479:A 62 PHE CD1 :A 130 GLU 2HG : -0.540: 35
: 2479:A 11 LEU 2HD1 :A 11 LEU O : -0.606: 44
: 2479:A 12 LYS 1HD :A 11 LEU O : -0.488: 22
: 2479:A 87 VAL HA :A 22 ILE 3HD1 : -0.604: 63
: 2479:A 21 LEU 2HB :A 74 GLY 1HA : -0.566: 75
: 2479:A 22 ILE O :A 72 GLU HA : -0.547: 75
: 2479:A 23 ARG 1HD :A 88 VAL 1HG2 : -0.527: 60
: 2479:A 23 ARG CB :A 72 GLU 1HG : -0.482: 55
: 2479:A 88 VAL 3HG2 :A 21 LEU HG : -0.480: 65
: 2479:A 22 ILE CD1 :A 87 VAL 2HG2 : -0.451: 51
: 2479:A 44 GLN HA :A 47 ALA 3HB : -0.554: 53
: 2479:A 94 SER HA :A 14 LEU O : -0.536: 40
: 2479:A 16 PRO 2HD :A 94 SER 1HB : -0.507: 71
: 2479:A 92 THR HB :A 14 LEU 1HD2 : -0.479: 44
: 2479:A 16 PRO 2HD :A 15 ALA HA : -0.431: 25
: 2479:A 92 THR O :A 16 PRO HA : -0.411: 72
: 2479:A 41 ASP O :A 42 ILE 1HG1 : -0.523: 43
: 2479:A 42 ILE H :A 41 ASP CG : -0.505: 62
: 2479:A 53 PRO HA :A 76 PRO O : -0.511: 70
: 2479:A 52 SER 2HB :A 53 PRO 1HD : -0.500: 40
: 2479:A 36 GLU 1HB :A 32 GLY O : -0.498: 62
: 2479:A 151 VAL 3HG2 :A 133 GLU 1HG : -0.488: 74
: 2479:A 51 LYS O :A 46 LEU 2HB : -0.488: 2
: 2479:A 75 PHE HD2 :A 73 PHE HD2 : -0.425: 41
: 2479:A 99 SER HA :A 151 VAL O : -0.418: 45
: 2479:A 75 PHE HD2 :A 73 PHE CD2 : -0.415: 41
: 2479:A 46 LEU 1HD1 :A 75 PHE HE1 : -0.410: 61
: 2479:A 133 GLU 1HB :A 59 ALA 3HB : -0.408: 43
: 2479:A 144 PRO O :A 145 ASP 2HB : -0.466: 42
: 2479:A 104 GLY 1HA :A 145 ASP OD2 : -0.401: 75
: 2479:A 77 VAL 2HG2 :A 19 ALA HA : -0.450: 71
: 2479:A 91 LEU 2HD2 :A 91 LEU C : -0.428: 43
: 2479:A 90 GLY O :A 18 PRO HA : -0.416: 24
: 2479:A 127 LEU 3HD2 :A 127 LEU HA : -0.416: 44
#sum2 ::29.85 clashscore : 9.24 clashscore B<40
#summary::2479 atoms:1191 atoms B<40:280955 potential dots:17560.0 A^2:74 bumps:11 bumps B<40:339.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 70 GLU 2HB :A 62 PHE 1HB : -1.029: 24
: 2479:A 62 PHE 1HB :A 70 GLU CB : -0.632: 24
: 2479:A 70 GLU 2HB :A 62 PHE CB : -0.628: 24
: 2479:A 60 ARG NH2 :A 21 LEU HG : -0.527: 71
: 2479:A 60 ARG 2HD :A 132 TYR CE2 : -0.518: 52
: 2479:A 21 LEU 2HD2 :A 21 LEU C : -0.467: 51
: 2479:A 70 GLU OE1 :A 25 GLN 2HB : -0.441: 51
: 2479:A 21 LEU N :A 21 LEU 3HD1 : -0.433: 63
: 2479:A 60 ARG 1HD :A 62 PHE CZ : -0.433: 54
: 2479:A 113 TYR HD2 :A 110 GLU HA : -0.950: 72
: 2479:A 125 PHE CD2 :A 155 LEU 1HD2 : -0.696: 73
: 2479:A 155 LEU 3HD2 :A 153 LEU 1HB : -0.684: 41
: 2479:A 116 LEU 2HD1 :A 113 TYR HA : -0.634: 53
: 2479:A 98 ALA O :A 152 SER HA : -0.601: 43
: 2479:A 120 VAL HA :A 125 PHE CE1 : -0.594: 13
: 2479:A 110 GLU HA :A 113 TYR CD2 : -0.576: 72
: 2479:A 155 LEU 1HD2 :A 125 PHE HD2 : -0.571: 73
: 2479:A 125 PHE O :A 120 VAL 3HG1 : -0.551: 15
: 2479:A 120 VAL 2HG2 :A 125 PHE CZ : -0.529: 43
: 2479:A 116 LEU O :A 120 VAL 3HG2 : -0.501: 51
: 2479:A 155 LEU 3HD2 :A 153 LEU CB : -0.493: 41
: 2479:A 119 TRP CE3 :A 125 PHE HE1 : -0.464: 53
: 2479:A 98 ALA 2HB :A 155 LEU HG : -0.452: 50
: 2479:A 120 VAL 2HG2 :A 125 PHE CE2 : -0.452: 53
: 2479:A 100 SER 1HB :A 9 CYS SG : -0.436: 73
: 2479:A 98 ALA CB :A 155 LEU HG : -0.414: 50
: 2479:A 116 LEU 1HB :A 113 TYR O : -0.406: 42
: 2479:A 116 LEU 3HD2 :A 9 CYS SG : -0.404: 43
: 2479:A 31 LEU 2HD2 :A 26 THR 1HG2 : -0.784: 41
: 2479:A 20 LEU 3HD2 :A 77 VAL 1HG2 : -0.712: 52
: 2479:A 20 LEU 2HD1 :A 87 VAL 2HG1 : -0.635: 44
: 2479:A 83 GLY 1HA :A 20 LEU 1HD1 : -0.624: 44
: 2479:A 83 GLY 2HA :A 88 VAL HA : -0.601: 10
: 2479:A 78 GLU H :A 77 VAL 2HG1 : -0.596: 50
: 2479:A 81 VAL HB :A 77 VAL 1HG1 : -0.595: 53
: 2479:A 133 GLU 1HB :A 59 ALA 3HB : -0.576: 30
: 2479:A 35 PHE 1HB :A 73 PHE HD1 : -0.572: 54
: 2479:A 39 TYR 2HB :A 73 PHE CE2 : -0.571: 53
: 2479:A 87 VAL 3HG1 :A 22 ILE 2HG1 : -0.567: 51
: 2479:A 73 PHE CD1 :A 35 PHE 1HB : -0.529: 54
: 2479:A 42 ILE 1HG1 :A 39 TYR HA : -0.525: 34
: 2479:A 77 VAL 3HG1 :A 46 LEU 1HD1 : -0.489: 50
: 2479:A 87 VAL 1HG2 :A 42 ILE 1HG2 : -0.482: 74
: 2479:A 46 LEU 3HD1 :A 81 VAL 1HG2 : -0.480: 51
: 2479:A 78 GLU OE1 :A 81 VAL 3HG2 : -0.472: 51
: 2479:A 22 ILE 2HG2 :A 23 ARG H : -0.471: 42
: 2479:A 42 ILE 1HG1 :A 38 GLY O : -0.465: 64
: 2479:A 20 LEU CD1 :A 87 VAL 2HG1 : -0.460: 44
: 2479:A 20 LEU 3HD2 :A 77 VAL CG2 : -0.457: 52
: 2479:A 73 PHE HA :A 59 ALA HA : -0.449: 61
: 2479:A 20 LEU 2HD1 :A 87 VAL CG1 : -0.448: 44
: 2479:A 36 GLU HA :A 39 TYR CE2 : -0.440: 45
: 2479:A 36 GLU O :A 40 HIS 1HB : -0.428: 51
: 2479:A 23 ARG N :A 22 ILE 2HG2 : -0.418: 42
: 2479:A 133 GLU OE2 :A 151 VAL 3HG2 : -0.411: 22
: 2479:A 77 VAL 2HG1 :A 78 GLU OE1 : -0.403: 50
: 2479:A 109 ILE O :A 112 VAL 2HG1 : -0.702: 14
: 2479:A 94 SER 1HB :A 16 PRO 2HG : -0.702: 42
: 2479:A 15 ALA HA :A 16 PRO 2HD : -0.413: 50
: 2479:A 5 CYS 2HB :A 103 ILE 1HD1 : -0.692: 23
: 2479:A 147 LEU CD1 :A 144 PRO HA : -0.538: 74
: 2479:A 103 ILE N :A 103 ILE 3HD1 : -0.487: 64
: 2479:A 103 ILE H :A 103 ILE 3HD1 : -0.467: 64
: 2479:A 147 LEU CD1 :A 139 PRO 2HB : -0.452: 74
: 2479:A 103 ILE HA :A 147 LEU O : -0.447: 71
: 2479:A 144 PRO HA :A 147 LEU 2HD1 : -0.436: 74
: 2479:A 5 CYS 2HB :A 103 ILE CD1 : -0.401: 23
: 2479:A 56 PRO 1HB :A 135 TYR O : -0.596: 41
: 2479:A 154 MET 2HB :A 128 SER CB : -0.592: 73
: 2479:A 128 SER HA :A 159 LEU H : -0.555: 62
: 2479:A 64 MET SD :A 130 GLU 1HB : -0.545: 63
: 2479:A 154 MET 2HB :A 128 SER 1HB : -0.527: 73
: 2479:A 154 MET 1HB :A 130 GLU 2HB : -0.506: 63
: 2479:A 159 LEU HA :A 159 LEU 2HD2 : -0.427: 14
: 2479:A 101 LEU CD1 :A 101 LEU H : -0.516: 64
: 2479:A 101 LEU HA :A 150 ARG HA : -0.485: 75
: 2479:A 101 LEU C :A 101 LEU 2HD2 : -0.451: 45
: 2479:A 101 LEU H :A 101 LEU 3HD1 : -0.434: 64
: 2479:A 30 GLU O :A 34 LEU 1HB : -0.485: 11
: 2479:A 34 LEU 2HD1 :A 24 THR CG2 : -0.406: 42
: 2479:A 49 GLN 1HB :A 51 LYS CD : -0.482: 62
: 2479:A 51 LYS 1HD :A 51 LYS N : -0.417: 62
: 2479:A 44 GLN HA :A 47 ALA 3HB : -0.469: 51
: 2479:A 61 TYR 2HB :A 69 PHE CZ : -0.465: 43
: 2479:A 71 VAL 2HG1 :A 61 TYR HD1 : -0.417: 33
: 2479:A 99 SER 2HB :A 12 LYS CG : -0.462: 20
: 2479:A 12 LYS 2HG :A 99 SER 2HB : -0.434: 20
: 2479:A 52 SER 2HB :A 53 PRO 1HD : -0.440: 73
: 2479:A 53 PRO HA :A 76 PRO O : -0.423: 64
: 2479:A 148 ARG 1HD :A 136 LEU 2HD2 : -0.439: 41
: 2479:A 148 ARG 1HG :A 148 ARG O : -0.400: 32
: 2479:A 117 MET CE :A 117 MET HA : -0.422: 20
: 2479:A 11 LEU 1HD1 :A 96 LYS 2HB : -0.412: 53
#sum2 ::37.52 clashscore : 15.26 clashscore B<40
#summary::2479 atoms:1245 atoms B<40:280950 potential dots:17560.0 A^2:93 bumps:19 bumps B<40:312.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 120 VAL HA :A 123 ASN 2HD2 : -1.009: 21
: 2479:A 60 ARG 2HB :A 132 TYR 2HB : -0.840: 21
: 2479:A 153 LEU H :A 153 LEU 3HD1 : -0.831: 22
: 2479:A 11 LEU H :A 11 LEU 3HD2 : -0.824: 71
: 2479:A 98 ALA 2HB :A 119 TRP HZ2 : -0.776: 53
: 2479:A 120 VAL HA :A 123 ASN ND2 : -0.719: 21
: 2479:A 119 TRP HD1 :A 116 LEU HA : -0.677: 71
: 2479:A 98 ALA O :A 152 SER HA : -0.653: 31
: 2479:A 60 ARG HA :A 132 TYR HA : -0.646: 32
: 2479:A 120 VAL 2HG1 :A 116 LEU O : -0.568: 32
: 2479:A 153 LEU HA :A 131 ALA HA : -0.560: 72
: 2479:A 116 LEU 1HD2 :A 100 SER 2HB : -0.547: 54
: 2479:A 119 TRP CH2 :A 11 LEU 2HD2 : -0.520: 23
: 2479:A 11 LEU HG :A 11 LEU O : -0.509: 64
: 2479:A 11 LEU 2HD2 :A 119 TRP HH2 : -0.497: 23
: 2479:A 132 TYR 2HB :A 60 ARG CB : -0.489: 21
: 2479:A 60 ARG CG :A 72 GLU 1HB : -0.475: 72
: 2479:A 23 ARG CB :A 72 GLU 1HG : -0.474: 22
: 2479:A 72 GLU 1HB :A 60 ARG 2HG : -0.472: 72
: 2479:A 23 ARG 2HD :A 23 ARG H : -0.471: 53
: 2479:A 153 LEU 2HD2 :A 153 LEU O : -0.465: 33
: 2479:A 153 LEU 3HD1 :A 153 LEU N : -0.462: 22
: 2479:A 98 ALA 2HB :A 119 TRP CZ2 : -0.452: 53
: 2479:A 153 LEU H :A 153 LEU CD1 : -0.451: 22
: 2479:A 11 LEU HA :A 97 ALA O : -0.447: 41
: 2479:A 153 LEU 2HD1 :A 116 LEU 3HD1 : -0.442: 24
: 2479:A 11 LEU H :A 11 LEU CD2 : -0.437: 71
: 2479:A 11 LEU HA :A 98 ALA HA : -0.431: 70
: 2479:A 60 ARG 1HB :A 60 ARG NH1 : -0.419: 61
: 2479:A 116 LEU 2HD2 :A 153 LEU 1HD1 : -0.415: 52
: 2479:A 23 ARG 1HH1 :A 23 ARG 1HD : -0.414: 53
: 2479:A 132 TYR CE2 :A 152 SER 2HB : -0.408: 51
: 2479:A 23 ARG 1HG :A 23 ARG O : -0.407: 51
: 2479:A 153 LEU CD2 :A 98 ALA 3HB : -0.406: 14
: 2479:A 137 ASP 2HB :A 142 THR 1HG2 : -0.945: 31
: 2479:A 148 ARG CG :A 101 LEU 1HD1 : -0.592: 12
: 2479:A 148 ARG H :A 137 ASP 1HB : -0.561: 64
: 2479:A 148 ARG 1HG :A 101 LEU 1HD1 : -0.551: 12
: 2479:A 138 ASN O :A 142 THR 2HG2 : -0.421: 31
: 2479:A 20 LEU 3HD1 :A 77 VAL 1HG2 : -0.883: 41
: 2479:A 89 THR 2HG2 :A 20 LEU 1HD1 : -0.663: 63
: 2479:A 20 LEU CD1 :A 89 THR 2HG2 : -0.490: 63
: 2479:A 158 SER HA :A 154 MET 1HG : -0.872: 76
: 2479:A 84 SER H :A 87 VAL 3HG1 : -0.811: 65
: 2479:A 22 ILE HB :A 73 PHE HD2 : -0.725: 74
: 2479:A 45 LEU 3HD1 :A 87 VAL 1HG1 : -0.602: 34
: 2479:A 22 ILE 2HG1 :A 87 VAL HA : -0.585: 61
: 2479:A 22 ILE 3HD1 :A 42 ILE 1HD1 : -0.559: 75
: 2479:A 57 PRO 2HB :A 75 PHE CE2 : -0.527: 34
: 2479:A 84 SER H :A 87 VAL CG1 : -0.524: 65
: 2479:A 22 ILE HB :A 73 PHE CD2 : -0.475: 74
: 2479:A 42 ILE 1HG1 :A 75 PHE CE1 : -0.442: 41
: 2479:A 75 PHE HA :A 76 PRO 2HD : -0.440: 43
: 2479:A 22 ILE 2HD1 :A 22 ILE N : -0.431: 12
: 2479:A 22 ILE 3HD1 :A 42 ILE CD1 : -0.420: 75
: 2479:A 38 GLY O :A 42 ILE HB : -0.409: 53
: 2479:A 16 PRO 2HD :A 94 SER 1HB : -0.770: 63
: 2479:A 43 LEU H :A 43 LEU 3HD2 : -0.770: 35
: 2479:A 92 THR O :A 16 PRO HA : -0.442: 56
: 2479:A 43 LEU H :A 43 LEU CD2 : -0.423: 35
: 2479:A 92 THR HA :A 93 PRO 2HD : -0.404: 43
: 2479:A 151 VAL HA :A 133 GLU HA : -0.728: 64
: 2479:A 113 TYR HD2 :A 110 GLU HA : -0.656: 73
: 2479:A 113 TYR CD2 :A 110 GLU HA : -0.640: 73
: 2479:A 26 THR O :A 69 PHE 2HB : -0.645: 52
: 2479:A 69 PHE CE2 :A 61 TYR HE1 : -0.530: 64
: 2479:A 61 TYR HE1 :A 69 PHE HE2 : -0.432: 64
: 2479:A 134 ILE 1HG1 :A 58 PHE 2HB : -0.632: 74
: 2479:A 134 ILE 1HG1 :A 58 PHE CB : -0.583: 74
: 2479:A 58 PHE HA :A 134 ILE HA : -0.489: 52
: 2479:A 150 ARG 1HD :A 134 ILE 2HD1 : -0.444: 54
: 2479:A 129 GLY O :A 64 MET 1HG : -0.619: 62
: 2479:A 64 MET 1HB :A 62 PHE CE1 : -0.509: 60
: 2479:A 95 GLY O :A 13 GLU HA : -0.588: 51
: 2479:A 109 ILE O :A 112 VAL 2HG1 : -0.576: 74
: 2479:A 102 TYR CD1 :A 112 VAL HB : -0.499: 71
: 2479:A 149 THR 1HG2 :A 106 TYR OH : -0.536: 63
: 2479:A 25 GLN H :A 25 GLN CD : -0.523: 74
: 2479:A 163 HIS 1HB :A 162 HIS O : -0.478: 35
: 2479:A 162 HIS 1HB :A 161 HIS O : -0.452: 55
: 2479:A 160 GLU O :A 161 HIS 1HB : -0.416: 35
: 2479:A 144 PRO C :A 146 GLN H : -0.469: 56
: 2479:A 144 PRO O :A 145 ASP 2HB : -0.428: 34
: 2479:A 21 LEU N :A 21 LEU 3HD2 : -0.441: 43
: 2479:A 21 LEU H :A 21 LEU 3HD2 : -0.429: 43
: 2479:A 141 GLU H :A 139 PRO C : -0.433: 21
: 2479:A 34 LEU 3HD1 :A 34 LEU HA : -0.432: 45
: 2479:A 147 LEU 2HD2 :A 147 LEU HA : -0.409: 35
: 2479:A 127 LEU 2HD2 :A 126 ASP C : -0.408: 60
: 2479:A 51 LYS 2HB :A 51 LYS 1HE : -0.400: 50
#sum2 ::36.30 clashscore : 23.89 clashscore B<40
#summary::2479 atoms:1256 atoms B<40:280716 potential dots:17540.0 A^2:90 bumps:30 bumps B<40:360.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 70 GLU HA :A 25 GLN HA : -0.907: 11
: 2479:A 70 GLU HA :A 25 GLN CA : -0.452: 11
: 2479:A 25 GLN 2HG :A 25 GLN O : -0.417: 54
: 2479:A 152 SER 2HB :A 132 TYR 2HB : -0.902: 55
: 2479:A 133 GLU 1HB :A 59 ALA 3HB : -0.769: 40
: 2479:A 73 PHE HA :A 59 ALA HA : -0.758: 53
: 2479:A 152 SER 1HB :A 97 ALA 3HB : -0.582: 55
: 2479:A 132 TYR HA :A 59 ALA O : -0.507: 52
: 2479:A 132 TYR 2HB :A 152 SER CB : -0.488: 55
: 2479:A 11 LEU 1HD1 :A 96 LYS 2HD : -0.885: 42
: 2479:A 96 LYS 1HD :A 127 LEU 2HD2 : -0.856: 62
: 2479:A 11 LEU 1HD2 :A 96 LYS 2HB : -0.841: 61
: 2479:A 155 LEU 1HD1 :A 126 ASP 2HB : -0.725: 75
: 2479:A 120 VAL CG2 :A 125 PHE HA : -0.720: 75
: 2479:A 120 VAL 2HG2 :A 125 PHE HA : -0.646: 75
: 2479:A 155 LEU H :A 155 LEU 2HD2 : -0.619: 12
: 2479:A 155 LEU 2HD2 :A 155 LEU N : -0.559: 12
: 2479:A 120 VAL 1HG2 :A 155 LEU 2HB : -0.557: 75
: 2479:A 120 VAL 2HG1 :A 117 MET HA : -0.539: 72
: 2479:A 155 LEU 2HD1 :A 120 VAL CG2 : -0.494: 75
: 2479:A 11 LEU 3HD1 :A 11 LEU C : -0.488: 32
: 2479:A 126 ASP H :A 155 LEU HG : -0.449: 52
: 2479:A 155 LEU H :A 155 LEU CD2 : -0.439: 12
: 2479:A 126 ASP 2HB :A 155 LEU CD1 : -0.409: 75
: 2479:A 11 LEU 3HD2 :A 126 ASP OD2 : -0.408: 46
: 2479:A 155 LEU 2HD1 :A 120 VAL HB : -0.401: 75
: 2479:A 131 ALA 3HB :A 61 TYR 1HB : -0.871: 35
: 2479:A 23 ARG 2HD :A 23 ARG H : -0.837: 32
: 2479:A 23 ARG H :A 23 ARG CD : -0.576: 32
: 2479:A 12 LYS 1HE :A 10 GLU 1HB : -0.822: 34
: 2479:A 8 VAL 2HG2 :A 10 GLU 2HG : -0.519: 72
: 2479:A 136 LEU H :A 136 LEU 3HD2 : -0.817: 33
: 2479:A 136 LEU HA :A 56 PRO 2HB : -0.671: 74
: 2479:A 136 LEU HA :A 56 PRO CB : -0.617: 74
: 2479:A 136 LEU H :A 136 LEU CD2 : -0.522: 33
: 2479:A 135 TYR O :A 57 PRO 1HD : -0.457: 53
: 2479:A 57 PRO 2HD :A 56 PRO HA : -0.421: 53
: 2479:A 151 VAL 1HG2 :A 109 ILE 1HD1 : -0.736: 31
: 2479:A 116 LEU 1HD2 :A 100 SER 2HB : -0.539: 55
: 2479:A 99 SER HA :A 151 VAL O : -0.489: 61
: 2479:A 112 VAL HB :A 109 ILE O : -0.471: 65
: 2479:A 109 ILE 2HD1 :A 106 TYR HE1 : -0.446: 14
: 2479:A 112 VAL CG1 :A 100 SER 1HB : -0.445: 55
: 2479:A 103 ILE HA :A 147 LEU O : -0.694: 42
: 2479:A 145 ASP O :A 103 ILE HB : -0.471: 52
: 2479:A 139 PRO 2HD :A 147 LEU HG : -0.453: 41
: 2479:A 42 ILE 2HG2 :A 43 LEU H : -0.691: 63
: 2479:A 43 LEU N :A 42 ILE 2HG2 : -0.523: 63
: 2479:A 42 ILE C :A 44 GLN H : -0.442: 23
: 2479:A 4 GLU 1HG :A 146 GLN 2HG : -0.688: 36
: 2479:A 144 PRO C :A 146 GLN H : -0.451: 70
: 2479:A 45 LEU H :A 45 LEU 3HD2 : -0.655: 73
: 2479:A 45 LEU 2HD1 :A 82 GLU 2HB : -0.524: 72
: 2479:A 45 LEU H :A 45 LEU CD2 : -0.469: 73
: 2479:A 77 VAL HB :A 81 VAL 1HG2 : -0.651: 65
: 2479:A 77 VAL 2HG2 :A 19 ALA HA : -0.608: 54
: 2479:A 77 VAL 2HG2 :A 19 ALA CA : -0.465: 54
: 2479:A 62 PHE HD1 :A 130 GLU 1HG : -0.616: 34
: 2479:A 62 PHE HD1 :A 130 GLU CG : -0.419: 34
: 2479:A 65 SER HA :A 160 GLU O : -0.598: 13
: 2479:A 159 LEU 2HD1 :A 64 MET 1HB : -0.577: 75
: 2479:A 159 LEU 2HB :A 65 SER 2HB : -0.569: 42
: 2479:A 64 MET SD :A 128 SER 2HB : -0.416: 62
: 2479:A 87 VAL HA :A 22 ILE HB : -0.590: 55
: 2479:A 20 LEU HG :A 87 VAL 2HG1 : -0.548: 30
: 2479:A 87 VAL CG1 :A 20 LEU HG : -0.500: 30
: 2479:A 87 VAL H :A 85 GLY C : -0.417: 64
: 2479:A 91 LEU 3HD2 :A 16 PRO 1HB : -0.544: 50
: 2479:A 66 ALA 3HB :A 162 HIS H : -0.537: 31
: 2479:A 162 HIS H :A 66 ALA CB : -0.406: 31
: 2479:A 21 LEU 2HD1 :A 72 GLU OE1 : -0.491: 74
: 2479:A 72 GLU OE2 :A 93 PRO 1HD : -0.453: 65
: 2479:A 21 LEU N :A 21 LEU 3HD2 : -0.429: 63
: 2479:A 21 LEU 3HD1 :A 92 THR HA : -0.421: 74
: 2479:A 21 LEU H :A 21 LEU 3HD2 : -0.403: 63
: 2479:A 52 SER 1HB :A 53 PRO 1HD : -0.473: 61
: 2479:A 24 THR O :A 71 VAL 2HG2 : -0.423: 2
: 2479:A 153 LEU 3HD1 :A 113 TYR CD2 : -0.406: 62
: 2479:A 134 ILE 2HG2 :A 150 ARG O : -0.403: 62
#sum2 ::31.87 clashscore : 19.17 clashscore B<40
#summary::2479 atoms:1252 atoms B<40:281123 potential dots:17570.0 A^2:79 bumps:24 bumps B<40:302.5 score
Output from PDB validation software
Summary from PDB validation
May. 9, 23:39:58 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
Chain Atom Res Seq Chain Atom Res Seq Mol_ID Distance
-------------------------------------------------------------------------
A HA VAL 120 - A 2HD2 ASN 123 19 Dist = 1.15
A 2HB ARG 60 - A HD1 TYR 132 15 Dist = 1.17
A HA GLU 110 - A HD2 TYR 113 18 Dist = 1.21
A HA ALA 19 - A HA PRO 76 11 Dist = 1.21
A 2HB LEU 21 - A 2HA GLY 74 5 Dist = 1.22
A HE2 TYR 102 - A HA TYR 106 7 Dist = 1.30
A HD2 PHE 125 - A 3HD1 LEU 155 4 Dist = 1.31
A 1HB PHE 62 - A 2HB GLU 70 18 Dist = 1.31
A 3HD1 LEU 14 - A HH TYR 132 7 Dist = 1.32
A 1HB TYR 61 - A 1HB ALA 131 5 Dist = 1.32
A 2HB TYR 102 - A HB THR 149 17 Dist = 1.33
A 2HG2 VAL 120 - A 1HB LEU 155 5 Dist = 1.33
A 2HB PHE 62 - A 2HB GLU 70 13 Dist = 1.34
A H SER 84 - A 3HG1 VAL 87 9 Dist = 1.35
A 2HB TYR 102 - A HB THR 149 4 Dist = 1.36
A HD2 PHE 125 - A HG LEU 155 17 Dist = 1.36
A 1HB LEU 11 - A HH2 TRP 119 10 Dist = 1.36
A 2HB SER 54 - A 1HB PRO 76 9 Dist = 1.37
A 1HB LEU 11 - A HH2 TRP 119 7 Dist = 1.37
A HB ILE 22 - A 1HG2 VAL 87 1 Dist = 1.38
A HA GLU 110 - A HD2 TYR 113 1 Dist = 1.38
A HD1 PHE 62 - A 2HB GLU 130 9 Dist = 1.38
A H ALA 98 - A 3HD2 LEU 155 5 Dist = 1.38
A HG LEU 21 - A 2HB GLU 72 11 Dist = 1.39
A HA MET 64 - A 2HE MET 154 1 Dist = 1.39
A H SER 84 - A 2HG1 VAL 87 19 Dist = 1.39
A HA PRO 57 - A 2HB PHE 75 5 Dist = 1.39
A HG LEU 34 - A HZ PHE 73 1 Dist = 1.39
A 2HB PHE 62 - A 1HB GLU 70 10 Dist = 1.41
A H MET 64 - A HE1 PHE 69 6 Dist = 1.41
A HA PRO 57 - A 2HB PHE 75 13 Dist = 1.42
A 2HB TYR 132 - A 1HB SER 152 20 Dist = 1.42
A HA PRO 139 - A 2HD2 LEU 147 1 Dist = 1.42
A HD1 TYR 61 - A HE2 PHE 69 5 Dist = 1.42
A HA GLN 25 - A HA GLU 70 20 Dist = 1.42
A HD1 TYR 61 - A 3HG1 VAL 71 11 Dist = 1.43
A 2HB ASP 137 - A 3HG2 THR 142 19 Dist = 1.43
A 1HB SER 100 - A 2HG2 VAL 112 3 Dist = 1.44
A HD1 PHE 62 - A 2HB GLU 130 10 Dist = 1.44
A 1HB LEU 127 - A 1HB LEU 155 2 Dist = 1.44
A 2HD1 LEU 101 - A 2HD ARG 148 17 Dist = 1.45
A HD1 PHE 62 - A 1HG GLU 130 15 Dist = 1.45
A HG LEU 116 - A 3HD2 LEU 153 17 Dist = 1.45
A 1HB TYR 61 - A 1HB ALA 131 20 Dist = 1.45
A 2HB LEU 21 - A 2HA GLY 74 11 Dist = 1.45
A 3HB ALA 98 - A HZ2 TRP 119 19 Dist = 1.45
A HA ALA 59 - A HA PHE 73 3 Dist = 1.46
A HA ALA 19 - A HA PRO 76 5 Dist = 1.46
A 1HB SER 128 - A 1HD2 LEU 155 3 Dist = 1.47
A 2HB LEU 101 - A 1HG ARG 150 11 Dist = 1.47
A 3HB ALA 98 - A 1HD1 LEU 155 4 Dist = 1.48
A 3HD1 LEU 11 - A 2HD LYS 96 20 Dist = 1.48
A HB ILE 22 - A HD2 PHE 73 19 Dist = 1.48
A 1HG MET 154 - A HA SER 158 19 Dist = 1.48
A 2HG GLU 160 - A HD2 HIS 162 2 Dist = 1.49
A HA ARG 23 - A 1HG GLU 72 2 Dist = 1.49
A 1HB ALA 131 - A 2HG MET 154 7 Dist = 1.49
A 1HD1 LEU 116 - A 1HD2 LEU 153 13 Dist = 1.50
A HB ILE 134 - A 1HB ARG 150 17 Dist = 1.50
A 2HD2 LEU 116 - A 3HD1 LEU 153 5 Dist = 1.50
A HA LEU 116 - A HD1 TRP 119 19 Dist = 1.50
A HG LEU 127 - A H GLY 129 5 Dist = 1.50
A 1HG PRO 57 - A 1HB TYR 135 3 Dist = 1.50
A 2HD1 LEU 20 - A 3HG2 VAL 77 19 Dist = 1.50
A H ALA 98 - A 1HD2 LEU 155 8 Dist = 1.50
A 1HD LYS 96 - A 2HD2 LEU 127 20 Dist = 1.50
A 1HG2 VAL 112 - A 3HG1 VAL 151 3 Dist = 1.50
A 1HB PHE 62 - A 2HB GLU 70 8 Dist = 1.51
A HA GLN 25 - A HA GLU 70 14 Dist = 1.51
A 1HG PRO 56 - A 3HD1 ILE 134 16 Dist = 1.51
A HG LEU 46 - A 2HG LYS 51 13 Dist = 1.51
A 1HB LEU 21 - A 1HG GLU 72 10 Dist = 1.51
A 1HD1 ILE 103 - A 1HG ARG 148 16 Dist = 1.51
A 1HD1 LEU 11 - A 1HD2 ASN 123 14 Dist = 1.51
A HD2 TYR 113 - A 2HD1 LEU 153 5 Dist = 1.51
A HD1 PHE 58 - A 1HG1 ILE 134 2 Dist = 1.52
A 2HD2 LEU 45 - A 1HA GLY 83 13 Dist = 1.52
A 2HB TYR 132 - A 2HB SER 152 14 Dist = 1.52
A 1HG2 VAL 120 - A 1HB PHE 125 7 Dist = 1.52
A 3HD1 ILE 42 - A HE1 PHE 75 10 Dist = 1.52
A 3HD2 LEU 11 - A 2HB LYS 96 20 Dist = 1.52
A HA SER 128 - A 3HE MET 154 6 Dist = 1.52
A HA GLU 110 - A HD2 TYR 113 19 Dist = 1.53
A 2HB TYR 61 - A HE2 PHE 69 13 Dist = 1.53
A HD1 PHE 58 - A 1HG1 ILE 134 7 Dist = 1.53
A 1HG GLU 110 - A HA HIS 162 1 Dist = 1.53
A 2HD1 LEU 127 - A HA LEU 159 7 Dist = 1.53
A HE1 TYR 106 - A 2HD1 ILE 109 4 Dist = 1.53
A HA VAL 120 - A 2HD2 ASN 123 1 Dist = 1.54
A HA LEU 116 - A HD1 TRP 119 1 Dist = 1.54
A 2HD2 LEU 14 - A 2HH2 ARG 150 15 Dist = 1.54
A 2HA GLY 63 - A HD2 PHE 69 4 Dist = 1.54
A 2HB ARG 60 - A 2HB TYR 132 19 Dist = 1.54
A 2HA GLY 83 - A HA VAL 88 11 Dist = 1.54
A 2HB SER 84 - A HB VAL 87 6 Dist = 1.54
A OD2 ASP 114 - A HD1 HIS 164 10 Dist = 1.54
A 2HB GLU 133 - A HA VAL 151 15 Dist = 1.54
A 1HA GLY 104 - A 1HB PRO 144 2 Dist = 1.55
A 1HZ LYS 118 - A O2 HIS 166 12 Dist = 1.55
A 2HG PRO 16 - A 2HB SER 94 13 Dist = 1.55
A 1HB GLU 10 - A 1HE LYS 12 20 Dist = 1.55
A 2HB LEU 116 - A 2HD2 LEU 153 4 Dist = 1.55
A 2HG ARG 60 - A 1HB GLU 72 9 Dist = 1.55
A 2HB TYR 61 - A 2HG1 VAL 71 14 Dist = 1.55
A HA GLU 110 - A 2HB TYR 113 14 Dist = 1.55
A 1HG2 VAL 120 - A 2HB LEU 155 1 Dist = 1.55
A 2HB SER 54 - A 1HB PRO 76 5 Dist = 1.55
A 2HB PRO 139 - A 2HD1 LEU 147 9 Dist = 1.55
A 1HA GLY 104 - A HA ASP 145 1 Dist = 1.55
A 1HG1 VAL 120 - A H GLU 157 16 Dist = 1.55
A 2HB PHE 73 - A HE1 PHE 75 8 Dist = 1.55
A 1HG GLN 25 - A 1HG GLU 70 15 Dist = 1.56
A 2HB ARG 23 - A 1HG GLU 72 7 Dist = 1.56
A 1HE2 GLN 49 - A 3HG1 VAL 81 10 Dist = 1.56
A HD2 TYR 61 - A HE2 PHE 69 10 Dist = 1.56
A 1HB TYR 61 - A 1HB ALA 131 3 Dist = 1.56
A 2HB LEU 21 - A 2HA GLY 74 13 Dist = 1.56
A HG LEU 116 - A 2HD2 LEU 153 14 Dist = 1.56
A 2HB TYR 61 - A 1HG1 VAL 71 17 Dist = 1.57
A HE1 TYR 61 - A 1HG GLU 133 16 Dist = 1.57
A HE1 TYR 61 - A HE2 PHE 69 19 Dist = 1.57
A 2HB ASN 123 - A HD2 PHE 125 1 Dist = 1.57
A HD1 PHE 62 - A 2HG GLU 130 17 Dist = 1.57
A OD1 ASP 114 - A HD1 HIS 161 10 Dist = 1.57
A HD2 PHE 73 - A HD2 PHE 75 2 Dist = 1.57
A 1HA GLY 104 - A HA ASP 145 13 Dist = 1.57
A 1HB ALA 131 - A 2HG MET 154 16 Dist = 1.57
A HA LEU 101 - A HA ARG 150 14 Dist = 1.57
A 1HD1 LEU 116 - A 1HD2 LEU 153 11 Dist = 1.58
A 2HB GLU 13 - A 2HD LYS 96 17 Dist = 1.58
A 2HG2 THR 26 - A 3HD2 LEU 31 18 Dist = 1.58
A 3HB ALA 98 - A 3HD1 LEU 116 17 Dist = 1.58
A 1HB ASP 126 - A HA HIS 156 10 Dist = 1.58
A 2HD2 LEU 31 - A HE1 PHE 69 14 Dist = 1.58
A O THR 24 - A H VAL 71 18 Dist = 1.58
A 2HG1 ILE 22 - A HB VAL 87 15 Dist = 1.58
A 1HB PHE 62 - A 1HB GLU 70 11 Dist = 1.58
A HA LEU 20 - A HA THR 89 15 Dist = 1.58
A HD1 PHE 62 - A 1HG GLU 130 20 Dist = 1.58
A OD2 ASP 114 - A 1HZ LYS 118 5 Dist = 1.58
A 2HD PRO 16 - A 2HB SER 94 19 Dist = 1.58
A OD2 ASP 126 - A HD1 HIS 156 12 Dist = 1.59
A 3HG2 THR 24 - A 3HD2 LEU 34 6 Dist = 1.59
A 2HD1 LEU 127 - A 2HD1 LEU 155 12 Dist = 1.59
A HE2 TYR 102 - A HA TYR 106 17 Dist = 1.59
A HA GLN 25 - A HA GLU 70 7 Dist = 1.59
A HA GLU 110 - A HD2 TYR 113 2 Dist = 1.59
A 2HB ALA 59 - A 1HB GLU 133 20 Dist = 1.59
A 1HD2 LEU 21 - A 2HB GLU 72 13 Dist = 1.59
A 2HZ LYS 51 - A OE1 GLU 78 19 Dist = 1.59
A 2HZ LYS 118 - A OD1 ASP 122 7 Dist = 1.59
A HE1 TYR 102 - A HB VAL 151 2 Dist = 1.59
A 2HD2 LEU 43 - A 2HD2 LEU 45 1 Dist = 1.59
A 1HA GLY 104 - A H ASP 145 11 Dist = 1.59
A 1HB MET 1 - A 1HB ASP 145 9 Dist = 1.59
A 2HB ASN 123 - A HD2 PHE 125 16 Dist = 1.59
A 1H MET 1 - A OE1 GLU 108 7 Dist = 1.59
A OE2 GLU 13 - A 2HZ LYS 96 16 Dist = 1.59
A OE1 GLU 110 - A HE2 HIS 163 16 Dist = 1.59
A OE1 GLU 13 - A 2HZ LYS 96 6 Dist = 1.59
A HD2 PHE 125 - A 3HD2 LEU 155 18 Dist = 1.59
A 1HD1 ILE 22 - A 2HB PHE 73 16 Dist = 1.60
A OE2 GLU 130 - A HD1 HIS 161 9 Dist = 1.60
A 3HZ LYS 51 - A OE2 GLU 78 18 Dist = 1.60
A 2HB SER 99 - A 1HB SER 152 8 Dist = 1.60
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.004 Angstroms
The following table contains a list of the covalent bonds
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 Bond Dictionary
Name ID Number Distance Value
------------------------------------------------------------------------
0.027 LEU A 21 3 CA - CB 1.557 1.530
0.031 ILE A 42 12 N - CA 1.489 1.458
0.028 LEU A 153 19 CA - CB 1.558 1.530
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.7 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
4.1 HIS A 156 3 C - N - CA 125.8 121.7
4.1 GLY A 74 9 N - CA - C 116.6 112.5
4.2 LEU A 155 18 N - CA - C 115.4 111.2
-4.3 GLU A 157 18 N - CA - C 106.9 111.2
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A GLN 6 1HE2
1 A GLN 6 2HE2
1 A GLN 25 1HE2
1 A GLN 25 2HE2
1 A GLN 44 1HE2
1 A GLN 44 2HE2
1 A GLN 49 1HE2
1 A GLN 49 2HE2
1 A ASN 123 1HD2
1 A ASN 123 2HD2
1 A ASN 138 1HD2
1 A ASN 138 2HD2
1 A GLN 146 1HE2
1 A GLN 146 2HE2
2 A GLN 6 1HE2
2 A GLN 6 2HE2
2 A GLN 25 1HE2
2 A GLN 25 2HE2
2 A GLN 44 1HE2
2 A GLN 44 2HE2
2 A GLN 49 1HE2
2 A GLN 49 2HE2
2 A ASN 123 1HD2
2 A ASN 123 2HD2
2 A ASN 138 1HD2
2 A ASN 138 2HD2
2 A GLN 146 1HE2
2 A GLN 146 2HE2
3 A GLN 6 1HE2
3 A GLN 6 2HE2
3 A GLN 25 1HE2
3 A GLN 25 2HE2
3 A GLN 44 1HE2
3 A GLN 44 2HE2
3 A GLN 49 1HE2
3 A GLN 49 2HE2
3 A ASN 123 1HD2
3 A ASN 123 2HD2
3 A ASN 138 1HD2
3 A ASN 138 2HD2
3 A GLN 146 1HE2
3 A GLN 146 2HE2
4 A GLN 6 1HE2
4 A GLN 6 2HE2
4 A GLN 25 1HE2
4 A GLN 25 2HE2
4 A GLN 44 1HE2
4 A GLN 44 2HE2
4 A GLN 49 1HE2
4 A GLN 49 2HE2
4 A ASN 123 1HD2
4 A ASN 123 2HD2
4 A ASN 138 1HD2
4 A ASN 138 2HD2
4 A GLN 146 1HE2
4 A GLN 146 2HE2
5 A GLN 6 1HE2
5 A GLN 6 2HE2
5 A GLN 25 1HE2
5 A GLN 25 2HE2
5 A GLN 44 1HE2
5 A GLN 44 2HE2
5 A GLN 49 1HE2
5 A GLN 49 2HE2
5 A ASN 123 1HD2
5 A ASN 123 2HD2
5 A ASN 138 1HD2
5 A ASN 138 2HD2
5 A GLN 146 1HE2
5 A GLN 146 2HE2
6 A GLN 6 1HE2
6 A GLN 6 2HE2
6 A GLN 25 1HE2
6 A GLN 25 2HE2
6 A GLN 44 1HE2
6 A GLN 44 2HE2
6 A GLN 49 1HE2
6 A GLN 49 2HE2
6 A ASN 123 1HD2
6 A ASN 123 2HD2
6 A ASN 138 1HD2
6 A ASN 138 2HD2
6 A GLN 146 1HE2
6 A GLN 146 2HE2
7 A GLN 6 1HE2
7 A GLN 6 2HE2
7 A GLN 25 1HE2
7 A GLN 25 2HE2
7 A GLN 44 1HE2
7 A GLN 44 2HE2
7 A GLN 49 1HE2
7 A GLN 49 2HE2
7 A ASN 123 1HD2
7 A ASN 123 2HD2
7 A ASN 138 1HD2
7 A ASN 138 2HD2
7 A GLN 146 1HE2
7 A GLN 146 2HE2
8 A GLN 6 1HE2
8 A GLN 6 2HE2
8 A GLN 25 1HE2
8 A GLN 25 2HE2
8 A GLN 44 1HE2
8 A GLN 44 2HE2
8 A GLN 49 1HE2
8 A GLN 49 2HE2
8 A ASN 123 1HD2
8 A ASN 123 2HD2
8 A ASN 138 1HD2
8 A ASN 138 2HD2
8 A GLN 146 1HE2
8 A GLN 146 2HE2
9 A GLN 6 1HE2
9 A GLN 6 2HE2
9 A GLN 25 1HE2
9 A GLN 25 2HE2
9 A GLN 44 1HE2
9 A GLN 44 2HE2
9 A GLN 49 1HE2
9 A GLN 49 2HE2
9 A ASN 123 1HD2
9 A ASN 123 2HD2
9 A ASN 138 1HD2
9 A ASN 138 2HD2
9 A GLN 146 1HE2
9 A GLN 146 2HE2
10 A GLN 6 1HE2
10 A GLN 6 2HE2
10 A GLN 25 1HE2
10 A GLN 25 2HE2
10 A GLN 44 1HE2
10 A GLN 44 2HE2
10 A GLN 49 1HE2
10 A GLN 49 2HE2
10 A ASN 123 1HD2
10 A ASN 123 2HD2
10 A ASN 138 1HD2
10 A ASN 138 2HD2
10 A GLN 146 1HE2
10 A GLN 146 2HE2
11 A GLN 6 1HE2
11 A GLN 6 2HE2
11 A GLN 25 1HE2
11 A GLN 25 2HE2
11 A GLN 44 1HE2
11 A GLN 44 2HE2
11 A GLN 49 1HE2
11 A GLN 49 2HE2
11 A ASN 123 1HD2
11 A ASN 123 2HD2
11 A ASN 138 1HD2
11 A ASN 138 2HD2
11 A GLN 146 1HE2
11 A GLN 146 2HE2
12 A GLN 6 1HE2
12 A GLN 6 2HE2
12 A GLN 25 1HE2
12 A GLN 25 2HE2
12 A GLN 44 1HE2
12 A GLN 44 2HE2
12 A GLN 49 1HE2
12 A GLN 49 2HE2
12 A ASN 123 1HD2
12 A ASN 123 2HD2
12 A ASN 138 1HD2
12 A ASN 138 2HD2
12 A GLN 146 1HE2
12 A GLN 146 2HE2
13 A GLN 6 1HE2
13 A GLN 6 2HE2
13 A GLN 25 1HE2
13 A GLN 25 2HE2
13 A GLN 44 1HE2
13 A GLN 44 2HE2
13 A GLN 49 1HE2
13 A GLN 49 2HE2
13 A ASN 123 1HD2
13 A ASN 123 2HD2
13 A ASN 138 1HD2
13 A ASN 138 2HD2
13 A GLN 146 1HE2
13 A GLN 146 2HE2
14 A GLN 6 1HE2
14 A GLN 6 2HE2
14 A GLN 25 1HE2
14 A GLN 25 2HE2
14 A GLN 44 1HE2
14 A GLN 44 2HE2
14 A GLN 49 1HE2
14 A GLN 49 2HE2
14 A ASN 123 1HD2
14 A ASN 123 2HD2
14 A ASN 138 1HD2
14 A ASN 138 2HD2
14 A GLN 146 1HE2
14 A GLN 146 2HE2
15 A GLN 6 1HE2
15 A GLN 6 2HE2
15 A GLN 25 1HE2
15 A GLN 25 2HE2
15 A GLN 44 1HE2
15 A GLN 44 2HE2
15 A GLN 49 1HE2
15 A GLN 49 2HE2
15 A ASN 123 1HD2
15 A ASN 123 2HD2
15 A ASN 138 1HD2
15 A ASN 138 2HD2
15 A GLN 146 1HE2
15 A GLN 146 2HE2
16 A GLN 6 1HE2
16 A GLN 6 2HE2
16 A GLN 25 1HE2
16 A GLN 25 2HE2
16 A GLN 44 1HE2
16 A GLN 44 2HE2
16 A GLN 49 1HE2
16 A GLN 49 2HE2
16 A ASN 123 1HD2
16 A ASN 123 2HD2
16 A ASN 138 1HD2
16 A ASN 138 2HD2
16 A GLN 146 1HE2
16 A GLN 146 2HE2
17 A GLN 6 1HE2
17 A GLN 6 2HE2
17 A GLN 25 1HE2
17 A GLN 25 2HE2
17 A GLN 44 1HE2
17 A GLN 44 2HE2
17 A GLN 49 1HE2
17 A GLN 49 2HE2
17 A ASN 123 1HD2
17 A ASN 123 2HD2
17 A ASN 138 1HD2
17 A ASN 138 2HD2
17 A GLN 146 1HE2
17 A GLN 146 2HE2
18 A GLN 6 1HE2
18 A GLN 6 2HE2
18 A GLN 25 1HE2
18 A GLN 25 2HE2
18 A GLN 44 1HE2
18 A GLN 44 2HE2
18 A GLN 49 1HE2
18 A GLN 49 2HE2
18 A ASN 123 1HD2
18 A ASN 123 2HD2
18 A ASN 138 1HD2
18 A ASN 138 2HD2
18 A GLN 146 1HE2
18 A GLN 146 2HE2
19 A GLN 6 1HE2
19 A GLN 6 2HE2
19 A GLN 25 1HE2
19 A GLN 25 2HE2
19 A GLN 44 1HE2
19 A GLN 44 2HE2
19 A GLN 49 1HE2
19 A GLN 49 2HE2
19 A ASN 123 1HD2
19 A ASN 123 2HD2
19 A ASN 138 1HD2
19 A ASN 138 2HD2
19 A GLN 146 1HE2
19 A GLN 146 2HE2
20 A GLN 6 1HE2
20 A GLN 6 2HE2
20 A GLN 25 1HE2
20 A GLN 25 2HE2
20 A GLN 44 1HE2
20 A GLN 44 2HE2
20 A GLN 49 1HE2
20 A GLN 49 2HE2
20 A ASN 123 1HD2
20 A ASN 123 2HD2
20 A ASN 138 1HD2
20 A ASN 138 2HD2
20 A GLN 146 1HE2
20 A GLN 146 2HE2
OTHER IMPORTANT ISSUES
==> The following residues are missing:
(Note: The SEQ number starts from 1 for each chain according to SEQRES
sequence record.)
RES MOD#C SEQ
MET( 1 A-165 )
ASP( 1 A-164 )
PHE( 1 A-163 )
GLU( 1 A-162 )
CYS( 1 A-161 )
GLN( 1 A-160 )
PHE( 1 A-159 )
VAL( 1 A-158 )
CYS( 1 A-157 )
GLU( 1 A-156 )
LEU( 1 A-155 )
LYS( 1 A-154 )
GLU( 1 A-153 )
LEU( 1 A-152 )
ALA( 1 A-151 )
PRO( 1 A-150 )
VAL( 1 A-149 )
PRO( 1 A-148 )
ALA( 1 A-147 )
LEU( 1 A-146 )
LEU( 1 A-145 )
ILE( 1 A-144 )
ARG( 1 A-143 )
THR( 1 A-142 )
GLN( 1 A-141 )
THR( 1 A-140 )
ALA( 1 A-139 )
MET( 1 A-138 )
SER( 1 A-137 )
GLU( 1 A-136 )
LEU( 1 A-135 )
GLY( 1 A-134 )
SER( 1 A-133 )
LEU( 1 A-132 )
PHE( 1 A-131 )
GLU( 1 A-130 )
ALA( 1 A-129 )
GLY( 1 A-128 )
TYR( 1 A-127 )
HIS( 1 A-126 )
ASP( 1 A-125 )
ILE( 1 A-124 )
LEU( 1 A-123 )
GLN( 1 A-122 )
LEU( 1 A-121 )
LEU( 1 A-120 )
ALA( 1 A-119 )
GLY( 1 A-118 )
GLN( 1 A-117 )
GLY( 1 A-116 )
LYS( 1 A-115 )
SER( 1 A-114 )
PRO( 1 A-113 )
SER( 1 A-112 )
GLY( 1 A-111 )
PRO( 1 A-110 )
PRO( 1 A-109 )
PHE( 1 A-108 )
ALA( 1 A-107 )
ARG( 1 A-106 )
TYR( 1 A-105 )
PHE( 1 A-104 )
GLY( 1 A-103 )
MET( 1 A-102 )
SER( 1 A-101 )
ALA( 1 A-100 )
GLY( 1 A -99 )
THR( 1 A -98 )
PHE( 1 A -97 )
GLU( 1 A -96 )
VAL( 1 A -95 )
GLU( 1 A -94 )
PHE( 1 A -93 )
GLY( 1 A -92 )
PHE( 1 A -91 )
PRO( 1 A -90 )
VAL( 1 A -89 )
GLU( 1 A -88 )
GLY( 1 A -87 )
GLY( 1 A -86 )
VAL( 1 A -85 )
GLU( 1 A -84 )
GLY( 1 A -83 )
SER( 1 A -82 )
GLY( 1 A -81 )
ARG( 1 A -80 )
VAL( 1 A -79 )
VAL( 1 A -78 )
THR( 1 A -77 )
GLY( 1 A -76 )
LEU( 1 A -75 )
THR( 1 A -74 )
PRO( 1 A -73 )
SER( 1 A -72 )
GLY( 1 A -71 )
LYS( 1 A -70 )
ALA( 1 A -69 )
ALA( 1 A -68 )
SER( 1 A -67 )
SER( 1 A -66 )
LEU( 1 A -65 )
TYR( 1 A -64 )
ILE( 1 A -63 )
GLY( 1 A -62 )
PRO( 1 A -61 )
TYR( 1 A -60 )
GLY( 1 A -59 )
GLU( 1 A -58 )
ILE( 1 A -57 )
GLU( 1 A -56 )
ALA( 1 A -55 )
VAL( 1 A -54 )
TYR( 1 A -53 )
ASP( 1 A -52 )
ALA( 1 A -51 )
LEU( 1 A -50 )
MET( 1 A -49 )
LYS( 1 A -48 )
TRP( 1 A -47 )
VAL( 1 A -46 )
ASP( 1 A -45 )
ASP( 1 A -44 )
ASN( 1 A -43 )
GLY( 1 A -42 )
PHE( 1 A -41 )
ASP( 1 A -40 )
LEU( 1 A -39 )
SER( 1 A -38 )
GLY( 1 A -37 )
GLU( 1 A -36 )
ALA( 1 A -35 )
TYR( 1 A -34 )
GLU( 1 A -33 )
ILE( 1 A -32 )
TYR( 1 A -31 )
LEU( 1 A -30 )
ASP( 1 A -29 )
ASN( 1 A -28 )
PRO( 1 A -27 )
ALA( 1 A -26 )
GLU( 1 A -25 )
THR( 1 A -24 )
ALA( 1 A -23 )
PRO( 1 A -22 )
ASP( 1 A -21 )
GLN( 1 A -20 )
LEU( 1 A -19 )
ARG( 1 A -18 )
THR( 1 A -17 )
ARG( 1 A -16 )
VAL( 1 A -15 )
SER( 1 A -14 )
LEU( 1 A -13 )
MET( 1 A -12 )
LEU( 1 A -11 )
HIS( 1 A -10 )
GLU( 1 A -9 )
SER( 1 A -8 )
LEU( 1 A -7 )
GLU( 1 A -6 )
HIS( 1 A -5 )
HIS( 1 A -4 )
HIS( 1 A -3 )
HIS( 1 A -2 )
HIS( 1 A -1 )
HIS( 1 A 0 )
MET( 2 A-165 )
ASP( 2 A-164 )
PHE( 2 A-163 )
GLU( 2 A-162 )
CYS( 2 A-161 )
GLN( 2 A-160 )
PHE( 2 A-159 )
VAL( 2 A-158 )
CYS( 2 A-157 )
GLU( 2 A-156 )
LEU( 2 A-155 )
LYS( 2 A-154 )
GLU( 2 A-153 )
LEU( 2 A-152 )
ALA( 2 A-151 )
PRO( 2 A-150 )
VAL( 2 A-149 )
PRO( 2 A-148 )
ALA( 2 A-147 )
LEU( 2 A-146 )
LEU( 2 A-145 )
ILE( 2 A-144 )
ARG( 2 A-143 )
THR( 2 A-142 )
GLN( 2 A-141 )
THR( 2 A-140 )
ALA( 2 A-139 )
MET( 2 A-138 )
SER( 2 A-137 )
GLU( 2 A-136 )
LEU( 2 A-135 )
GLY( 2 A-134 )
SER( 2 A-133 )
LEU( 2 A-132 )
PHE( 2 A-131 )
GLU( 2 A-130 )
ALA( 2 A-129 )
GLY( 2 A-128 )
TYR( 2 A-127 )
HIS( 2 A-126 )
ASP( 2 A-125 )
ILE( 2 A-124 )
LEU( 2 A-123 )
GLN( 2 A-122 )
LEU( 2 A-121 )
LEU( 2 A-120 )
ALA( 2 A-119 )
GLY( 2 A-118 )
GLN( 2 A-117 )
GLY( 2 A-116 )
LYS( 2 A-115 )
SER( 2 A-114 )
PRO( 2 A-113 )
SER( 2 A-112 )
GLY( 2 A-111 )
PRO( 2 A-110 )
PRO( 2 A-109 )
PHE( 2 A-108 )
ALA( 2 A-107 )
ARG( 2 A-106 )
TYR( 2 A-105 )
PHE( 2 A-104 )
GLY( 2 A-103 )
MET( 2 A-102 )
SER( 2 A-101 )
ALA( 2 A-100 )
GLY( 2 A -99 )
THR( 2 A -98 )
PHE( 2 A -97 )
GLU( 2 A -96 )
VAL( 2 A -95 )
GLU( 2 A -94 )
PHE( 2 A -93 )
GLY( 2 A -92 )
PHE( 2 A -91 )
PRO( 2 A -90 )
VAL( 2 A -89 )
GLU( 2 A -88 )
GLY( 2 A -87 )
GLY( 2 A -86 )
VAL( 2 A -85 )
GLU( 2 A -84 )
GLY( 2 A -83 )
SER( 2 A -82 )
GLY( 2 A -81 )
ARG( 2 A -80 )
VAL( 2 A -79 )
VAL( 2 A -78 )
THR( 2 A -77 )
GLY( 2 A -76 )
LEU( 2 A -75 )
THR( 2 A -74 )
PRO( 2 A -73 )
SER( 2 A -72 )
GLY( 2 A -71 )
LYS( 2 A -70 )
ALA( 2 A -69 )
ALA( 2 A -68 )
SER( 2 A -67 )
SER( 2 A -66 )
LEU( 2 A -65 )
TYR( 2 A -64 )
ILE( 2 A -63 )
GLY( 2 A -62 )
PRO( 2 A -61 )
TYR( 2 A -60 )
GLY( 2 A -59 )
GLU( 2 A -58 )
ILE( 2 A -57 )
GLU( 2 A -56 )
ALA( 2 A -55 )
VAL( 2 A -54 )
TYR( 2 A -53 )
ASP( 2 A -52 )
ALA( 2 A -51 )
LEU( 2 A -50 )
MET( 2 A -49 )
LYS( 2 A -48 )
TRP( 2 A -47 )
VAL( 2 A -46 )
ASP( 2 A -45 )
ASP( 2 A -44 )
ASN( 2 A -43 )
GLY( 2 A -42 )
PHE( 2 A -41 )
ASP( 2 A -40 )
LEU( 2 A -39 )
SER( 2 A -38 )
GLY( 2 A -37 )
GLU( 2 A -36 )
ALA( 2 A -35 )
TYR( 2 A -34 )
GLU( 2 A -33 )
ILE( 2 A -32 )
TYR( 2 A -31 )
LEU( 2 A -30 )
ASP( 2 A -29 )
ASN( 2 A -28 )
PRO( 2 A -27 )
ALA( 2 A -26 )
GLU( 2 A -25 )
THR( 2 A -24 )
ALA( 2 A -23 )
PRO( 2 A -22 )
ASP( 2 A -21 )
GLN( 2 A -20 )
LEU( 2 A -19 )
ARG( 2 A -18 )
THR( 2 A -17 )
ARG( 2 A -16 )
VAL( 2 A -15 )
SER( 2 A -14 )
LEU( 2 A -13 )
MET( 2 A -12 )
LEU( 2 A -11 )
HIS( 2 A -10 )
GLU( 2 A -9 )
SER( 2 A -8 )
LEU( 2 A -7 )
GLU( 2 A -6 )
HIS( 2 A -5 )
HIS( 2 A -4 )
HIS( 2 A -3 )
HIS( 2 A -2 )
HIS( 2 A -1 )
HIS( 2 A 0 )
MET( 3 A-165 )
ASP( 3 A-164 )
PHE( 3 A-163 )
GLU( 3 A-162 )
CYS( 3 A-161 )
GLN( 3 A-160 )
PHE( 3 A-159 )
VAL( 3 A-158 )
CYS( 3 A-157 )
GLU( 3 A-156 )
LEU( 3 A-155 )
LYS( 3 A-154 )
GLU( 3 A-153 )
LEU( 3 A-152 )
ALA( 3 A-151 )
PRO( 3 A-150 )
VAL( 3 A-149 )
PRO( 3 A-148 )
ALA( 3 A-147 )
LEU( 3 A-146 )
LEU( 3 A-145 )
ILE( 3 A-144 )
ARG( 3 A-143 )
THR( 3 A-142 )
GLN( 3 A-141 )
THR( 3 A-140 )
ALA( 3 A-139 )
MET( 3 A-138 )
SER( 3 A-137 )
GLU( 3 A-136 )
LEU( 3 A-135 )
GLY( 3 A-134 )
SER( 3 A-133 )
LEU( 3 A-132 )
PHE( 3 A-131 )
GLU( 3 A-130 )
ALA( 3 A-129 )
GLY( 3 A-128 )
TYR( 3 A-127 )
HIS( 3 A-126 )
ASP( 3 A-125 )
ILE( 3 A-124 )
LEU( 3 A-123 )
GLN( 3 A-122 )
LEU( 3 A-121 )
LEU( 3 A-120 )
ALA( 3 A-119 )
GLY( 3 A-118 )
GLN( 3 A-117 )
GLY( 3 A-116 )
LYS( 3 A-115 )
SER( 3 A-114 )
PRO( 3 A-113 )
SER( 3 A-112 )
GLY( 3 A-111 )
PRO( 3 A-110 )
PRO( 3 A-109 )
PHE( 3 A-108 )
ALA( 3 A-107 )
ARG( 3 A-106 )
TYR( 3 A-105 )
PHE( 3 A-104 )
GLY( 3 A-103 )
MET( 3 A-102 )
SER( 3 A-101 )
ALA( 3 A-100 )
GLY( 3 A -99 )
THR( 3 A -98 )
PHE( 3 A -97 )
GLU( 3 A -96 )
VAL( 3 A -95 )
GLU( 3 A -94 )
PHE( 3 A -93 )
GLY( 3 A -92 )
PHE( 3 A -91 )
PRO( 3 A -90 )
VAL( 3 A -89 )
GLU( 3 A -88 )
GLY( 3 A -87 )
GLY( 3 A -86 )
VAL( 3 A -85 )
GLU( 3 A -84 )
GLY( 3 A -83 )
SER( 3 A -82 )
GLY( 3 A -81 )
ARG( 3 A -80 )
VAL( 3 A -79 )
VAL( 3 A -78 )
THR( 3 A -77 )
GLY( 3 A -76 )
LEU( 3 A -75 )
THR( 3 A -74 )
PRO( 3 A -73 )
SER( 3 A -72 )
GLY( 3 A -71 )
LYS( 3 A -70 )
ALA( 3 A -69 )
ALA( 3 A -68 )
SER( 3 A -67 )
SER( 3 A -66 )
LEU( 3 A -65 )
TYR( 3 A -64 )
ILE( 3 A -63 )
GLY( 3 A -62 )
PRO( 3 A -61 )
TYR( 3 A -60 )
GLY( 3 A -59 )
GLU( 3 A -58 )
ILE( 3 A -57 )
GLU( 3 A -56 )
ALA( 3 A -55 )
VAL( 3 A -54 )
TYR( 3 A -53 )
ASP( 3 A -52 )
ALA( 3 A -51 )
LEU( 3 A -50 )
MET( 3 A -49 )
LYS( 3 A -48 )
TRP( 3 A -47 )
VAL( 3 A -46 )
ASP( 3 A -45 )
ASP( 3 A -44 )
ASN( 3 A -43 )
GLY( 3 A -42 )
PHE( 3 A -41 )
ASP( 3 A -40 )
LEU( 3 A -39 )
SER( 3 A -38 )
GLY( 3 A -37 )
GLU( 3 A -36 )
ALA( 3 A -35 )
TYR( 3 A -34 )
GLU( 3 A -33 )
ILE( 3 A -32 )
TYR( 3 A -31 )
LEU( 3 A -30 )
ASP( 3 A -29 )
ASN( 3 A -28 )
PRO( 3 A -27 )
ALA( 3 A -26 )
GLU( 3 A -25 )
THR( 3 A -24 )
ALA( 3 A -23 )
PRO( 3 A -22 )
ASP( 3 A -21 )
GLN( 3 A -20 )
LEU( 3 A -19 )
ARG( 3 A -18 )
THR( 3 A -17 )
ARG( 3 A -16 )
VAL( 3 A -15 )
SER( 3 A -14 )
LEU( 3 A -13 )
MET( 3 A -12 )
LEU( 3 A -11 )
HIS( 3 A -10 )
GLU( 3 A -9 )
SER( 3 A -8 )
LEU( 3 A -7 )
GLU( 3 A -6 )
HIS( 3 A -5 )
HIS( 3 A -4 )
HIS( 3 A -3 )
HIS( 3 A -2 )
HIS( 3 A -1 )
HIS( 3 A 0 )
MET( 4 A-165 )
ASP( 4 A-164 )
PHE( 4 A-163 )
GLU( 4 A-162 )
CYS( 4 A-161 )
GLN( 4 A-160 )
PHE( 4 A-159 )
VAL( 4 A-158 )
CYS( 4 A-157 )
GLU( 4 A-156 )
LEU( 4 A-155 )
LYS( 4 A-154 )
GLU( 4 A-153 )
LEU( 4 A-152 )
ALA( 4 A-151 )
PRO( 4 A-150 )
VAL( 4 A-149 )
PRO( 4 A-148 )
ALA( 4 A-147 )
LEU( 4 A-146 )
LEU( 4 A-145 )
ILE( 4 A-144 )
ARG( 4 A-143 )
THR( 4 A-142 )
GLN( 4 A-141 )
THR( 4 A-140 )
ALA( 4 A-139 )
MET( 4 A-138 )
SER( 4 A-137 )
GLU( 4 A-136 )
LEU( 4 A-135 )
GLY( 4 A-134 )
SER( 4 A-133 )
LEU( 4 A-132 )
PHE( 4 A-131 )
GLU( 4 A-130 )
ALA( 4 A-129 )
GLY( 4 A-128 )
TYR( 4 A-127 )
HIS( 4 A-126 )
ASP( 4 A-125 )
ILE( 4 A-124 )
LEU( 4 A-123 )
GLN( 4 A-122 )
LEU( 4 A-121 )
LEU( 4 A-120 )
ALA( 4 A-119 )
GLY( 4 A-118 )
GLN( 4 A-117 )
GLY( 4 A-116 )
LYS( 4 A-115 )
SER( 4 A-114 )
PRO( 4 A-113 )
SER( 4 A-112 )
GLY( 4 A-111 )
PRO( 4 A-110 )
PRO( 4 A-109 )
PHE( 4 A-108 )
ALA( 4 A-107 )
ARG( 4 A-106 )
TYR( 4 A-105 )
PHE( 4 A-104 )
GLY( 4 A-103 )
MET( 4 A-102 )
SER( 4 A-101 )
ALA( 4 A-100 )
GLY( 4 A -99 )
THR( 4 A -98 )
PHE( 4 A -97 )
GLU( 4 A -96 )
VAL( 4 A -95 )
GLU( 4 A -94 )
PHE( 4 A -93 )
GLY( 4 A -92 )
PHE( 4 A -91 )
PRO( 4 A -90 )
VAL( 4 A -89 )
GLU( 4 A -88 )
GLY( 4 A -87 )
GLY( 4 A -86 )
VAL( 4 A -85 )
GLU( 4 A -84 )
GLY( 4 A -83 )
SER( 4 A -82 )
GLY( 4 A -81 )
ARG( 4 A -80 )
VAL( 4 A -79 )
VAL( 4 A -78 )
THR( 4 A -77 )
GLY( 4 A -76 )
LEU( 4 A -75 )
THR( 4 A -74 )
PRO( 4 A -73 )
SER( 4 A -72 )
GLY( 4 A -71 )
LYS( 4 A -70 )
ALA( 4 A -69 )
ALA( 4 A -68 )
SER( 4 A -67 )
SER( 4 A -66 )
LEU( 4 A -65 )
TYR( 4 A -64 )
ILE( 4 A -63 )
GLY( 4 A -62 )
PRO( 4 A -61 )
TYR( 4 A -60 )
GLY( 4 A -59 )
GLU( 4 A -58 )
ILE( 4 A -57 )
GLU( 4 A -56 )
ALA( 4 A -55 )
VAL( 4 A -54 )
TYR( 4 A -53 )
ASP( 4 A -52 )
ALA( 4 A -51 )
LEU( 4 A -50 )
MET( 4 A -49 )
LYS( 4 A -48 )
TRP( 4 A -47 )
VAL( 4 A -46 )
ASP( 4 A -45 )
ASP( 4 A -44 )
ASN( 4 A -43 )
GLY( 4 A -42 )
PHE( 4 A -41 )
ASP( 4 A -40 )
LEU( 4 A -39 )
SER( 4 A -38 )
GLY( 4 A -37 )
GLU( 4 A -36 )
ALA( 4 A -35 )
TYR( 4 A -34 )
GLU( 4 A -33 )
ILE( 4 A -32 )
TYR( 4 A -31 )
LEU( 4 A -30 )
ASP( 4 A -29 )
ASN( 4 A -28 )
PRO( 4 A -27 )
ALA( 4 A -26 )
GLU( 4 A -25 )
THR( 4 A -24 )
ALA( 4 A -23 )
PRO( 4 A -22 )
ASP( 4 A -21 )
GLN( 4 A -20 )
LEU( 4 A -19 )
ARG( 4 A -18 )
THR( 4 A -17 )
ARG( 4 A -16 )
VAL( 4 A -15 )
SER( 4 A -14 )
LEU( 4 A -13 )
MET( 4 A -12 )
LEU( 4 A -11 )
HIS( 4 A -10 )
GLU( 4 A -9 )
SER( 4 A -8 )
LEU( 4 A -7 )
GLU( 4 A -6 )
HIS( 4 A -5 )
HIS( 4 A -4 )
HIS( 4 A -3 )
HIS( 4 A -2 )
HIS( 4 A -1 )
HIS( 4 A 0 )
MET( 5 A-165 )
ASP( 5 A-164 )
PHE( 5 A-163 )
GLU( 5 A-162 )
CYS( 5 A-161 )
GLN( 5 A-160 )
PHE( 5 A-159 )
VAL( 5 A-158 )
CYS( 5 A-157 )
GLU( 5 A-156 )
LEU( 5 A-155 )
LYS( 5 A-154 )
GLU( 5 A-153 )
LEU( 5 A-152 )
ALA( 5 A-151 )
PRO( 5 A-150 )
VAL( 5 A-149 )
PRO( 5 A-148 )
ALA( 5 A-147 )
LEU( 5 A-146 )
LEU( 5 A-145 )
ILE( 5 A-144 )
ARG( 5 A-143 )
THR( 5 A-142 )
GLN( 5 A-141 )
THR( 5 A-140 )
ALA( 5 A-139 )
MET( 5 A-138 )
SER( 5 A-137 )
GLU( 5 A-136 )
LEU( 5 A-135 )
GLY( 5 A-134 )
SER( 5 A-133 )
LEU( 5 A-132 )
PHE( 5 A-131 )
GLU( 5 A-130 )
ALA( 5 A-129 )
GLY( 5 A-128 )
TYR( 5 A-127 )
HIS( 5 A-126 )
ASP( 5 A-125 )
ILE( 5 A-124 )
LEU( 5 A-123 )
GLN( 5 A-122 )
LEU( 5 A-121 )
LEU( 5 A-120 )
ALA( 5 A-119 )
GLY( 5 A-118 )
GLN( 5 A-117 )
GLY( 5 A-116 )
LYS( 5 A-115 )
SER( 5 A-114 )
PRO( 5 A-113 )
SER( 5 A-112 )
GLY( 5 A-111 )
PRO( 5 A-110 )
PRO( 5 A-109 )
PHE( 5 A-108 )
ALA( 5 A-107 )
ARG( 5 A-106 )
TYR( 5 A-105 )
PHE( 5 A-104 )
GLY( 5 A-103 )
MET( 5 A-102 )
SER( 5 A-101 )
ALA( 5 A-100 )
GLY( 5 A -99 )
THR( 5 A -98 )
PHE( 5 A -97 )
GLU( 5 A -96 )
VAL( 5 A -95 )
GLU( 5 A -94 )
PHE( 5 A -93 )
GLY( 5 A -92 )
PHE( 5 A -91 )
PRO( 5 A -90 )
VAL( 5 A -89 )
GLU( 5 A -88 )
GLY( 5 A -87 )
GLY( 5 A -86 )
VAL( 5 A -85 )
GLU( 5 A -84 )
GLY( 5 A -83 )
SER( 5 A -82 )
GLY( 5 A -81 )
ARG( 5 A -80 )
VAL( 5 A -79 )
VAL( 5 A -78 )
THR( 5 A -77 )
GLY( 5 A -76 )
LEU( 5 A -75 )
THR( 5 A -74 )
PRO( 5 A -73 )
SER( 5 A -72 )
GLY( 5 A -71 )
LYS( 5 A -70 )
ALA( 5 A -69 )
ALA( 5 A -68 )
SER( 5 A -67 )
SER( 5 A -66 )
LEU( 5 A -65 )
TYR( 5 A -64 )
ILE( 5 A -63 )
GLY( 5 A -62 )
PRO( 5 A -61 )
TYR( 5 A -60 )
GLY( 5 A -59 )
GLU( 5 A -58 )
ILE( 5 A -57 )
GLU( 5 A -56 )
ALA( 5 A -55 )
VAL( 5 A -54 )
TYR( 5 A -53 )
ASP( 5 A -52 )
ALA( 5 A -51 )
LEU( 5 A -50 )
MET( 5 A -49 )
LYS( 5 A -48 )
TRP( 5 A -47 )
VAL( 5 A -46 )
ASP( 5 A -45 )
ASP( 5 A -44 )
ASN( 5 A -43 )
GLY( 5 A -42 )
PHE( 5 A -41 )
ASP( 5 A -40 )
LEU( 5 A -39 )
SER( 5 A -38 )
GLY( 5 A -37 )
GLU( 5 A -36 )
ALA( 5 A -35 )
TYR( 5 A -34 )
GLU( 5 A -33 )
ILE( 5 A -32 )
TYR( 5 A -31 )
LEU( 5 A -30 )
ASP( 5 A -29 )
ASN( 5 A -28 )
PRO( 5 A -27 )
ALA( 5 A -26 )
GLU( 5 A -25 )
THR( 5 A -24 )
ALA( 5 A -23 )
PRO( 5 A -22 )
ASP( 5 A -21 )
GLN( 5 A -20 )
LEU( 5 A -19 )
ARG( 5 A -18 )
THR( 5 A -17 )
ARG( 5 A -16 )
VAL( 5 A -15 )
SER( 5 A -14 )
LEU( 5 A -13 )
MET( 5 A -12 )
LEU( 5 A -11 )
HIS( 5 A -10 )
GLU( 5 A -9 )
SER( 5 A -8 )
LEU( 5 A -7 )
GLU( 5 A -6 )
HIS( 5 A -5 )
HIS( 5 A -4 )
HIS( 5 A -3 )
HIS( 5 A -2 )
HIS( 5 A -1 )
HIS( 5 A 0 )
MET( 6 A-165 )
ASP( 6 A-164 )
PHE( 6 A-163 )
GLU( 6 A-162 )
CYS( 6 A-161 )
GLN( 6 A-160 )
PHE( 6 A-159 )
VAL( 6 A-158 )
CYS( 6 A-157 )
GLU( 6 A-156 )
LEU( 6 A-155 )
LYS( 6 A-154 )
GLU( 6 A-153 )
LEU( 6 A-152 )
ALA( 6 A-151 )
PRO( 6 A-150 )
VAL( 6 A-149 )
PRO( 6 A-148 )
ALA( 6 A-147 )
LEU( 6 A-146 )
LEU( 6 A-145 )
ILE( 6 A-144 )
ARG( 6 A-143 )
THR( 6 A-142 )
GLN( 6 A-141 )
THR( 6 A-140 )
ALA( 6 A-139 )
MET( 6 A-138 )
SER( 6 A-137 )
GLU( 6 A-136 )
LEU( 6 A-135 )
GLY( 6 A-134 )
SER( 6 A-133 )
LEU( 6 A-132 )
PHE( 6 A-131 )
GLU( 6 A-130 )
ALA( 6 A-129 )
GLY( 6 A-128 )
TYR( 6 A-127 )
HIS( 6 A-126 )
ASP( 6 A-125 )
ILE( 6 A-124 )
LEU( 6 A-123 )
GLN( 6 A-122 )
LEU( 6 A-121 )
LEU( 6 A-120 )
ALA( 6 A-119 )
GLY( 6 A-118 )
GLN( 6 A-117 )
GLY( 6 A-116 )
LYS( 6 A-115 )
SER( 6 A-114 )
PRO( 6 A-113 )
SER( 6 A-112 )
GLY( 6 A-111 )
PRO( 6 A-110 )
PRO( 6 A-109 )
PHE( 6 A-108 )
ALA( 6 A-107 )
ARG( 6 A-106 )
TYR( 6 A-105 )
PHE( 6 A-104 )
GLY( 6 A-103 )
MET( 6 A-102 )
SER( 6 A-101 )
ALA( 6 A-100 )
GLY( 6 A -99 )
THR( 6 A -98 )
PHE( 6 A -97 )
GLU( 6 A -96 )
VAL( 6 A -95 )
GLU( 6 A -94 )
PHE( 6 A -93 )
GLY( 6 A -92 )
PHE( 6 A -91 )
PRO( 6 A -90 )
VAL( 6 A -89 )
GLU( 6 A -88 )
GLY( 6 A -87 )
GLY( 6 A -86 )
VAL( 6 A -85 )
GLU( 6 A -84 )
GLY( 6 A -83 )
SER( 6 A -82 )
GLY( 6 A -81 )
ARG( 6 A -80 )
VAL( 6 A -79 )
VAL( 6 A -78 )
THR( 6 A -77 )
GLY( 6 A -76 )
LEU( 6 A -75 )
THR( 6 A -74 )
PRO( 6 A -73 )
SER( 6 A -72 )
GLY( 6 A -71 )
LYS( 6 A -70 )
ALA( 6 A -69 )
ALA( 6 A -68 )
SER( 6 A -67 )
SER( 6 A -66 )
LEU( 6 A -65 )
TYR( 6 A -64 )
ILE( 6 A -63 )
GLY( 6 A -62 )
PRO( 6 A -61 )
TYR( 6 A -60 )
GLY( 6 A -59 )
GLU( 6 A -58 )
ILE( 6 A -57 )
GLU( 6 A -56 )
ALA( 6 A -55 )
VAL( 6 A -54 )
TYR( 6 A -53 )
ASP( 6 A -52 )
ALA( 6 A -51 )
LEU( 6 A -50 )
MET( 6 A -49 )
LYS( 6 A -48 )
TRP( 6 A -47 )
VAL( 6 A -46 )
ASP( 6 A -45 )
ASP( 6 A -44 )
ASN( 6 A -43 )
GLY( 6 A -42 )
PHE( 6 A -41 )
ASP( 6 A -40 )
LEU( 6 A -39 )
SER( 6 A -38 )
GLY( 6 A -37 )
GLU( 6 A -36 )
ALA( 6 A -35 )
TYR( 6 A -34 )
GLU( 6 A -33 )
ILE( 6 A -32 )
TYR( 6 A -31 )
LEU( 6 A -30 )
ASP( 6 A -29 )
ASN( 6 A -28 )
PRO( 6 A -27 )
ALA( 6 A -26 )
GLU( 6 A -25 )
THR( 6 A -24 )
ALA( 6 A -23 )
PRO( 6 A -22 )
ASP( 6 A -21 )
GLN( 6 A -20 )
LEU( 6 A -19 )
ARG( 6 A -18 )
THR( 6 A -17 )
ARG( 6 A -16 )
VAL( 6 A -15 )
SER( 6 A -14 )
LEU( 6 A -13 )
MET( 6 A -12 )
LEU( 6 A -11 )
HIS( 6 A -10 )
GLU( 6 A -9 )
SER( 6 A -8 )
LEU( 6 A -7 )
GLU( 6 A -6 )
HIS( 6 A -5 )
HIS( 6 A -4 )
HIS( 6 A -3 )
HIS( 6 A -2 )
HIS( 6 A -1 )
HIS( 6 A 0 )
MET( 7 A-165 )
ASP( 7 A-164 )
PHE( 7 A-163 )
GLU( 7 A-162 )
CYS( 7 A-161 )
GLN( 7 A-160 )
PHE( 7 A-159 )
VAL( 7 A-158 )
CYS( 7 A-157 )
GLU( 7 A-156 )
LEU( 7 A-155 )
LYS( 7 A-154 )
GLU( 7 A-153 )
LEU( 7 A-152 )
ALA( 7 A-151 )
PRO( 7 A-150 )
VAL( 7 A-149 )
PRO( 7 A-148 )
ALA( 7 A-147 )
LEU( 7 A-146 )
LEU( 7 A-145 )
ILE( 7 A-144 )
ARG( 7 A-143 )
THR( 7 A-142 )
GLN( 7 A-141 )
THR( 7 A-140 )
ALA( 7 A-139 )
MET( 7 A-138 )
SER( 7 A-137 )
GLU( 7 A-136 )
LEU( 7 A-135 )
GLY( 7 A-134 )
SER( 7 A-133 )
LEU( 7 A-132 )
PHE( 7 A-131 )
GLU( 7 A-130 )
ALA( 7 A-129 )
GLY( 7 A-128 )
TYR( 7 A-127 )
HIS( 7 A-126 )
ASP( 7 A-125 )
ILE( 7 A-124 )
LEU( 7 A-123 )
GLN( 7 A-122 )
LEU( 7 A-121 )
LEU( 7 A-120 )
ALA( 7 A-119 )
GLY( 7 A-118 )
GLN( 7 A-117 )
GLY( 7 A-116 )
LYS( 7 A-115 )
SER( 7 A-114 )
PRO( 7 A-113 )
SER( 7 A-112 )
GLY( 7 A-111 )
PRO( 7 A-110 )
PRO( 7 A-109 )
PHE( 7 A-108 )
ALA( 7 A-107 )
ARG( 7 A-106 )
TYR( 7 A-105 )
PHE( 7 A-104 )
GLY( 7 A-103 )
MET( 7 A-102 )
SER( 7 A-101 )
ALA( 7 A-100 )
GLY( 7 A -99 )
THR( 7 A -98 )
PHE( 7 A -97 )
GLU( 7 A -96 )
VAL( 7 A -95 )
GLU( 7 A -94 )
PHE( 7 A -93 )
GLY( 7 A -92 )
PHE( 7 A -91 )
PRO( 7 A -90 )
VAL( 7 A -89 )
GLU( 7 A -88 )
GLY( 7 A -87 )
GLY( 7 A -86 )
VAL( 7 A -85 )
GLU( 7 A -84 )
GLY( 7 A -83 )
SER( 7 A -82 )
GLY( 7 A -81 )
ARG( 7 A -80 )
VAL( 7 A -79 )
VAL( 7 A -78 )
THR( 7 A -77 )
GLY( 7 A -76 )
LEU( 7 A -75 )
THR( 7 A -74 )
PRO( 7 A -73 )
SER( 7 A -72 )
GLY( 7 A -71 )
LYS( 7 A -70 )
ALA( 7 A -69 )
ALA( 7 A -68 )
SER( 7 A -67 )
SER( 7 A -66 )
LEU( 7 A -65 )
TYR( 7 A -64 )
ILE( 7 A -63 )
GLY( 7 A -62 )
PRO( 7 A -61 )
TYR( 7 A -60 )
GLY( 7 A -59 )
GLU( 7 A -58 )
ILE( 7 A -57 )
GLU( 7 A -56 )
ALA( 7 A -55 )
VAL( 7 A -54 )
TYR( 7 A -53 )
ASP( 7 A -52 )
ALA( 7 A -51 )
LEU( 7 A -50 )
MET( 7 A -49 )
LYS( 7 A -48 )
TRP( 7 A -47 )
VAL( 7 A -46 )
ASP( 7 A -45 )
ASP( 7 A -44 )
ASN( 7 A -43 )
GLY( 7 A -42 )
PHE( 7 A -41 )
ASP( 7 A -40 )
LEU( 7 A -39 )
SER( 7 A -38 )
GLY( 7 A -37 )
GLU( 7 A -36 )
ALA( 7 A -35 )
TYR( 7 A -34 )
GLU( 7 A -33 )
ILE( 7 A -32 )
TYR( 7 A -31 )
LEU( 7 A -30 )
ASP( 7 A -29 )
ASN( 7 A -28 )
PRO( 7 A -27 )
ALA( 7 A -26 )
GLU( 7 A -25 )
THR( 7 A -24 )
ALA( 7 A -23 )
PRO( 7 A -22 )
ASP( 7 A -21 )
GLN( 7 A -20 )
LEU( 7 A -19 )
ARG( 7 A -18 )
THR( 7 A -17 )
ARG( 7 A -16 )
VAL( 7 A -15 )
SER( 7 A -14 )
LEU( 7 A -13 )
MET( 7 A -12 )
LEU( 7 A -11 )
HIS( 7 A -10 )
GLU( 7 A -9 )
SER( 7 A -8 )
LEU( 7 A -7 )
GLU( 7 A -6 )
HIS( 7 A -5 )
HIS( 7 A -4 )
HIS( 7 A -3 )
HIS( 7 A -2 )
HIS( 7 A -1 )
HIS( 7 A 0 )
MET( 8 A-165 )
ASP( 8 A-164 )
PHE( 8 A-163 )
GLU( 8 A-162 )
CYS( 8 A-161 )
GLN( 8 A-160 )
PHE( 8 A-159 )
VAL( 8 A-158 )
CYS( 8 A-157 )
GLU( 8 A-156 )
LEU( 8 A-155 )
LYS( 8 A-154 )
GLU( 8 A-153 )
LEU( 8 A-152 )
ALA( 8 A-151 )
PRO( 8 A-150 )
VAL( 8 A-149 )
PRO( 8 A-148 )
ALA( 8 A-147 )
LEU( 8 A-146 )
LEU( 8 A-145 )
ILE( 8 A-144 )
ARG( 8 A-143 )
THR( 8 A-142 )
GLN( 8 A-141 )
THR( 8 A-140 )
ALA( 8 A-139 )
MET( 8 A-138 )
SER( 8 A-137 )
GLU( 8 A-136 )
LEU( 8 A-135 )
GLY( 8 A-134 )
SER( 8 A-133 )
LEU( 8 A-132 )
PHE( 8 A-131 )
GLU( 8 A-130 )
ALA( 8 A-129 )
GLY( 8 A-128 )
TYR( 8 A-127 )
HIS( 8 A-126 )
ASP( 8 A-125 )
ILE( 8 A-124 )
LEU( 8 A-123 )
GLN( 8 A-122 )
LEU( 8 A-121 )
LEU( 8 A-120 )
ALA( 8 A-119 )
GLY( 8 A-118 )
GLN( 8 A-117 )
GLY( 8 A-116 )
LYS( 8 A-115 )
SER( 8 A-114 )
PRO( 8 A-113 )
SER( 8 A-112 )
GLY( 8 A-111 )
PRO( 8 A-110 )
PRO( 8 A-109 )
PHE( 8 A-108 )
ALA( 8 A-107 )
ARG( 8 A-106 )
TYR( 8 A-105 )
PHE( 8 A-104 )
GLY( 8 A-103 )
MET( 8 A-102 )
SER( 8 A-101 )
ALA( 8 A-100 )
GLY( 8 A -99 )
THR( 8 A -98 )
PHE( 8 A -97 )
GLU( 8 A -96 )
VAL( 8 A -95 )
GLU( 8 A -94 )
PHE( 8 A -93 )
GLY( 8 A -92 )
PHE( 8 A -91 )
PRO( 8 A -90 )
VAL( 8 A -89 )
GLU( 8 A -88 )
GLY( 8 A -87 )
GLY( 8 A -86 )
VAL( 8 A -85 )
GLU( 8 A -84 )
GLY( 8 A -83 )
SER( 8 A -82 )
GLY( 8 A -81 )
ARG( 8 A -80 )
VAL( 8 A -79 )
VAL( 8 A -78 )
THR( 8 A -77 )
GLY( 8 A -76 )
LEU( 8 A -75 )
THR( 8 A -74 )
PRO( 8 A -73 )
SER( 8 A -72 )
GLY( 8 A -71 )
LYS( 8 A -70 )
ALA( 8 A -69 )
ALA( 8 A -68 )
SER( 8 A -67 )
SER( 8 A -66 )
LEU( 8 A -65 )
TYR( 8 A -64 )
ILE( 8 A -63 )
GLY( 8 A -62 )
PRO( 8 A -61 )
TYR( 8 A -60 )
GLY( 8 A -59 )
GLU( 8 A -58 )
ILE( 8 A -57 )
GLU( 8 A -56 )
ALA( 8 A -55 )
VAL( 8 A -54 )
TYR( 8 A -53 )
ASP( 8 A -52 )
ALA( 8 A -51 )
LEU( 8 A -50 )
MET( 8 A -49 )
LYS( 8 A -48 )
TRP( 8 A -47 )
VAL( 8 A -46 )
ASP( 8 A -45 )
ASP( 8 A -44 )
ASN( 8 A -43 )
GLY( 8 A -42 )
PHE( 8 A -41 )
ASP( 8 A -40 )
LEU( 8 A -39 )
SER( 8 A -38 )
GLY( 8 A -37 )
GLU( 8 A -36 )
ALA( 8 A -35 )
TYR( 8 A -34 )
GLU( 8 A -33 )
ILE( 8 A -32 )
TYR( 8 A -31 )
LEU( 8 A -30 )
ASP( 8 A -29 )
ASN( 8 A -28 )
PRO( 8 A -27 )
ALA( 8 A -26 )
GLU( 8 A -25 )
THR( 8 A -24 )
ALA( 8 A -23 )
PRO( 8 A -22 )
ASP( 8 A -21 )
GLN( 8 A -20 )
LEU( 8 A -19 )
ARG( 8 A -18 )
THR( 8 A -17 )
ARG( 8 A -16 )
VAL( 8 A -15 )
SER( 8 A -14 )
LEU( 8 A -13 )
MET( 8 A -12 )
LEU( 8 A -11 )
HIS( 8 A -10 )
GLU( 8 A -9 )
SER( 8 A -8 )
LEU( 8 A -7 )
GLU( 8 A -6 )
HIS( 8 A -5 )
HIS( 8 A -4 )
HIS( 8 A -3 )
HIS( 8 A -2 )
HIS( 8 A -1 )
HIS( 8 A 0 )
MET( 9 A-165 )
ASP( 9 A-164 )
PHE( 9 A-163 )
GLU( 9 A-162 )
CYS( 9 A-161 )
GLN( 9 A-160 )
PHE( 9 A-159 )
VAL( 9 A-158 )
CYS( 9 A-157 )
GLU( 9 A-156 )
LEU( 9 A-155 )
LYS( 9 A-154 )
GLU( 9 A-153 )
LEU( 9 A-152 )
ALA( 9 A-151 )
PRO( 9 A-150 )
VAL( 9 A-149 )
PRO( 9 A-148 )
ALA( 9 A-147 )
LEU( 9 A-146 )
LEU( 9 A-145 )
ILE( 9 A-144 )
ARG( 9 A-143 )
THR( 9 A-142 )
GLN( 9 A-141 )
THR( 9 A-140 )
ALA( 9 A-139 )
MET( 9 A-138 )
SER( 9 A-137 )
GLU( 9 A-136 )
LEU( 9 A-135 )
GLY( 9 A-134 )
SER( 9 A-133 )
LEU( 9 A-132 )
PHE( 9 A-131 )
GLU( 9 A-130 )
ALA( 9 A-129 )
GLY( 9 A-128 )
TYR( 9 A-127 )
HIS( 9 A-126 )
ASP( 9 A-125 )
ILE( 9 A-124 )
LEU( 9 A-123 )
GLN( 9 A-122 )
LEU( 9 A-121 )
LEU( 9 A-120 )
ALA( 9 A-119 )
GLY( 9 A-118 )
GLN( 9 A-117 )
GLY( 9 A-116 )
LYS( 9 A-115 )
SER( 9 A-114 )
PRO( 9 A-113 )
SER( 9 A-112 )
GLY( 9 A-111 )
PRO( 9 A-110 )
PRO( 9 A-109 )
PHE( 9 A-108 )
ALA( 9 A-107 )
ARG( 9 A-106 )
TYR( 9 A-105 )
PHE( 9 A-104 )
GLY( 9 A-103 )
MET( 9 A-102 )
SER( 9 A-101 )
ALA( 9 A-100 )
GLY( 9 A -99 )
THR( 9 A -98 )
PHE( 9 A -97 )
GLU( 9 A -96 )
VAL( 9 A -95 )
GLU( 9 A -94 )
PHE( 9 A -93 )
GLY( 9 A -92 )
PHE( 9 A -91 )
PRO( 9 A -90 )
VAL( 9 A -89 )
GLU( 9 A -88 )
GLY( 9 A -87 )
GLY( 9 A -86 )
VAL( 9 A -85 )
GLU( 9 A -84 )
GLY( 9 A -83 )
SER( 9 A -82 )
GLY( 9 A -81 )
ARG( 9 A -80 )
VAL( 9 A -79 )
VAL( 9 A -78 )
THR( 9 A -77 )
GLY( 9 A -76 )
LEU( 9 A -75 )
THR( 9 A -74 )
PRO( 9 A -73 )
SER( 9 A -72 )
GLY( 9 A -71 )
LYS( 9 A -70 )
ALA( 9 A -69 )
ALA( 9 A -68 )
SER( 9 A -67 )
SER( 9 A -66 )
LEU( 9 A -65 )
TYR( 9 A -64 )
ILE( 9 A -63 )
GLY( 9 A -62 )
PRO( 9 A -61 )
TYR( 9 A -60 )
GLY( 9 A -59 )
GLU( 9 A -58 )
ILE( 9 A -57 )
GLU( 9 A -56 )
ALA( 9 A -55 )
VAL( 9 A -54 )
TYR( 9 A -53 )
ASP( 9 A -52 )
ALA( 9 A -51 )
LEU( 9 A -50 )
MET( 9 A -49 )
LYS( 9 A -48 )
TRP( 9 A -47 )
VAL( 9 A -46 )
ASP( 9 A -45 )
ASP( 9 A -44 )
ASN( 9 A -43 )
GLY( 9 A -42 )
PHE( 9 A -41 )
ASP( 9 A -40 )
LEU( 9 A -39 )
SER( 9 A -38 )
GLY( 9 A -37 )
GLU( 9 A -36 )
ALA( 9 A -35 )
TYR( 9 A -34 )
GLU( 9 A -33 )
ILE( 9 A -32 )
TYR( 9 A -31 )
LEU( 9 A -30 )
ASP( 9 A -29 )
ASN( 9 A -28 )
PRO( 9 A -27 )
ALA( 9 A -26 )
GLU( 9 A -25 )
THR( 9 A -24 )
ALA( 9 A -23 )
PRO( 9 A -22 )
ASP( 9 A -21 )
GLN( 9 A -20 )
LEU( 9 A -19 )
ARG( 9 A -18 )
THR( 9 A -17 )
ARG( 9 A -16 )
VAL( 9 A -15 )
SER( 9 A -14 )
LEU( 9 A -13 )
MET( 9 A -12 )
LEU( 9 A -11 )
HIS( 9 A -10 )
GLU( 9 A -9 )
SER( 9 A -8 )
LEU( 9 A -7 )
GLU( 9 A -6 )
HIS( 9 A -5 )
HIS( 9 A -4 )
HIS( 9 A -3 )
HIS( 9 A -2 )
HIS( 9 A -1 )
HIS( 9 A 0 )
MET( 10 A-165 )
ASP( 10 A-164 )
PHE( 10 A-163 )
GLU( 10 A-162 )
CYS( 10 A-161 )
GLN( 10 A-160 )
PHE( 10 A-159 )
VAL( 10 A-158 )
CYS( 10 A-157 )
GLU( 10 A-156 )
LEU( 10 A-155 )
LYS( 10 A-154 )
GLU( 10 A-153 )
LEU( 10 A-152 )
ALA( 10 A-151 )
PRO( 10 A-150 )
VAL( 10 A-149 )
PRO( 10 A-148 )
ALA( 10 A-147 )
LEU( 10 A-146 )
LEU( 10 A-145 )
ILE( 10 A-144 )
ARG( 10 A-143 )
THR( 10 A-142 )
GLN( 10 A-141 )
THR( 10 A-140 )
ALA( 10 A-139 )
MET( 10 A-138 )
SER( 10 A-137 )
GLU( 10 A-136 )
LEU( 10 A-135 )
GLY( 10 A-134 )
SER( 10 A-133 )
LEU( 10 A-132 )
PHE( 10 A-131 )
GLU( 10 A-130 )
ALA( 10 A-129 )
GLY( 10 A-128 )
TYR( 10 A-127 )
HIS( 10 A-126 )
ASP( 10 A-125 )
ILE( 10 A-124 )
LEU( 10 A-123 )
GLN( 10 A-122 )
LEU( 10 A-121 )
LEU( 10 A-120 )
ALA( 10 A-119 )
GLY( 10 A-118 )
GLN( 10 A-117 )
GLY( 10 A-116 )
LYS( 10 A-115 )
SER( 10 A-114 )
PRO( 10 A-113 )
SER( 10 A-112 )
GLY( 10 A-111 )
PRO( 10 A-110 )
PRO( 10 A-109 )
PHE( 10 A-108 )
ALA( 10 A-107 )
ARG( 10 A-106 )
TYR( 10 A-105 )
PHE( 10 A-104 )
GLY( 10 A-103 )
MET( 10 A-102 )
SER( 10 A-101 )
ALA( 10 A-100 )
GLY( 10 A -99 )
THR( 10 A -98 )
PHE( 10 A -97 )
GLU( 10 A -96 )
VAL( 10 A -95 )
GLU( 10 A -94 )
PHE( 10 A -93 )
GLY( 10 A -92 )
PHE( 10 A -91 )
PRO( 10 A -90 )
VAL( 10 A -89 )
GLU( 10 A -88 )
GLY( 10 A -87 )
GLY( 10 A -86 )
VAL( 10 A -85 )
GLU( 10 A -84 )
GLY( 10 A -83 )
SER( 10 A -82 )
GLY( 10 A -81 )
ARG( 10 A -80 )
VAL( 10 A -79 )
VAL( 10 A -78 )
THR( 10 A -77 )
GLY( 10 A -76 )
LEU( 10 A -75 )
THR( 10 A -74 )
PRO( 10 A -73 )
SER( 10 A -72 )
GLY( 10 A -71 )
LYS( 10 A -70 )
ALA( 10 A -69 )
ALA( 10 A -68 )
SER( 10 A -67 )
SER( 10 A -66 )
LEU( 10 A -65 )
TYR( 10 A -64 )
ILE( 10 A -63 )
GLY( 10 A -62 )
PRO( 10 A -61 )
TYR( 10 A -60 )
GLY( 10 A -59 )
GLU( 10 A -58 )
ILE( 10 A -57 )
GLU( 10 A -56 )
ALA( 10 A -55 )
VAL( 10 A -54 )
TYR( 10 A -53 )
ASP( 10 A -52 )
ALA( 10 A -51 )
LEU( 10 A -50 )
MET( 10 A -49 )
LYS( 10 A -48 )
TRP( 10 A -47 )
VAL( 10 A -46 )
ASP( 10 A -45 )
ASP( 10 A -44 )
ASN( 10 A -43 )
GLY( 10 A -42 )
PHE( 10 A -41 )
ASP( 10 A -40 )
LEU( 10 A -39 )
SER( 10 A -38 )
GLY( 10 A -37 )
GLU( 10 A -36 )
ALA( 10 A -35 )
TYR( 10 A -34 )
GLU( 10 A -33 )
ILE( 10 A -32 )
TYR( 10 A -31 )
LEU( 10 A -30 )
ASP( 10 A -29 )
ASN( 10 A -28 )
PRO( 10 A -27 )
ALA( 10 A -26 )
GLU( 10 A -25 )
THR( 10 A -24 )
ALA( 10 A -23 )
PRO( 10 A -22 )
ASP( 10 A -21 )
GLN( 10 A -20 )
LEU( 10 A -19 )
ARG( 10 A -18 )
THR( 10 A -17 )
ARG( 10 A -16 )
VAL( 10 A -15 )
SER( 10 A -14 )
LEU( 10 A -13 )
MET( 10 A -12 )
LEU( 10 A -11 )
HIS( 10 A -10 )
GLU( 10 A -9 )
SER( 10 A -8 )
LEU( 10 A -7 )
GLU( 10 A -6 )
HIS( 10 A -5 )
HIS( 10 A -4 )
HIS( 10 A -3 )
HIS( 10 A -2 )
HIS( 10 A -1 )
HIS( 10 A 0 )
MET( 11 A-165 )
ASP( 11 A-164 )
PHE( 11 A-163 )
GLU( 11 A-162 )
CYS( 11 A-161 )
GLN( 11 A-160 )
PHE( 11 A-159 )
VAL( 11 A-158 )
CYS( 11 A-157 )
GLU( 11 A-156 )
LEU( 11 A-155 )
LYS( 11 A-154 )
GLU( 11 A-153 )
LEU( 11 A-152 )
ALA( 11 A-151 )
PRO( 11 A-150 )
VAL( 11 A-149 )
PRO( 11 A-148 )
ALA( 11 A-147 )
LEU( 11 A-146 )
LEU( 11 A-145 )
ILE( 11 A-144 )
ARG( 11 A-143 )
THR( 11 A-142 )
GLN( 11 A-141 )
THR( 11 A-140 )
ALA( 11 A-139 )
MET( 11 A-138 )
SER( 11 A-137 )
GLU( 11 A-136 )
LEU( 11 A-135 )
GLY( 11 A-134 )
SER( 11 A-133 )
LEU( 11 A-132 )
PHE( 11 A-131 )
GLU( 11 A-130 )
ALA( 11 A-129 )
GLY( 11 A-128 )
TYR( 11 A-127 )
HIS( 11 A-126 )
ASP( 11 A-125 )
ILE( 11 A-124 )
LEU( 11 A-123 )
GLN( 11 A-122 )
LEU( 11 A-121 )
LEU( 11 A-120 )
ALA( 11 A-119 )
GLY( 11 A-118 )
GLN( 11 A-117 )
GLY( 11 A-116 )
LYS( 11 A-115 )
SER( 11 A-114 )
PRO( 11 A-113 )
SER( 11 A-112 )
GLY( 11 A-111 )
PRO( 11 A-110 )
PRO( 11 A-109 )
PHE( 11 A-108 )
ALA( 11 A-107 )
ARG( 11 A-106 )
TYR( 11 A-105 )
PHE( 11 A-104 )
GLY( 11 A-103 )
MET( 11 A-102 )
SER( 11 A-101 )
ALA( 11 A-100 )
GLY( 11 A -99 )
THR( 11 A -98 )
PHE( 11 A -97 )
GLU( 11 A -96 )
VAL( 11 A -95 )
GLU( 11 A -94 )
PHE( 11 A -93 )
GLY( 11 A -92 )
PHE( 11 A -91 )
PRO( 11 A -90 )
VAL( 11 A -89 )
GLU( 11 A -88 )
GLY( 11 A -87 )
GLY( 11 A -86 )
VAL( 11 A -85 )
GLU( 11 A -84 )
GLY( 11 A -83 )
SER( 11 A -82 )
GLY( 11 A -81 )
ARG( 11 A -80 )
VAL( 11 A -79 )
VAL( 11 A -78 )
THR( 11 A -77 )
GLY( 11 A -76 )
LEU( 11 A -75 )
THR( 11 A -74 )
PRO( 11 A -73 )
SER( 11 A -72 )
GLY( 11 A -71 )
LYS( 11 A -70 )
ALA( 11 A -69 )
ALA( 11 A -68 )
SER( 11 A -67 )
SER( 11 A -66 )
LEU( 11 A -65 )
TYR( 11 A -64 )
ILE( 11 A -63 )
GLY( 11 A -62 )
PRO( 11 A -61 )
TYR( 11 A -60 )
GLY( 11 A -59 )
GLU( 11 A -58 )
ILE( 11 A -57 )
GLU( 11 A -56 )
ALA( 11 A -55 )
VAL( 11 A -54 )
TYR( 11 A -53 )
ASP( 11 A -52 )
ALA( 11 A -51 )
LEU( 11 A -50 )
MET( 11 A -49 )
LYS( 11 A -48 )
TRP( 11 A -47 )
VAL( 11 A -46 )
ASP( 11 A -45 )
ASP( 11 A -44 )
ASN( 11 A -43 )
GLY( 11 A -42 )
PHE( 11 A -41 )
ASP( 11 A -40 )
LEU( 11 A -39 )
SER( 11 A -38 )
GLY( 11 A -37 )
GLU( 11 A -36 )
ALA( 11 A -35 )
TYR( 11 A -34 )
GLU( 11 A -33 )
ILE( 11 A -32 )
TYR( 11 A -31 )
LEU( 11 A -30 )
ASP( 11 A -29 )
ASN( 11 A -28 )
PRO( 11 A -27 )
ALA( 11 A -26 )
GLU( 11 A -25 )
THR( 11 A -24 )
ALA( 11 A -23 )
PRO( 11 A -22 )
ASP( 11 A -21 )
GLN( 11 A -20 )
LEU( 11 A -19 )
ARG( 11 A -18 )
THR( 11 A -17 )
ARG( 11 A -16 )
VAL( 11 A -15 )
SER( 11 A -14 )
LEU( 11 A -13 )
MET( 11 A -12 )
LEU( 11 A -11 )
HIS( 11 A -10 )
GLU( 11 A -9 )
SER( 11 A -8 )
LEU( 11 A -7 )
GLU( 11 A -6 )
HIS( 11 A -5 )
HIS( 11 A -4 )
HIS( 11 A -3 )
HIS( 11 A -2 )
HIS( 11 A -1 )
HIS( 11 A 0 )
MET( 12 A-165 )
ASP( 12 A-164 )
PHE( 12 A-163 )
GLU( 12 A-162 )
CYS( 12 A-161 )
GLN( 12 A-160 )
PHE( 12 A-159 )
VAL( 12 A-158 )
CYS( 12 A-157 )
GLU( 12 A-156 )
LEU( 12 A-155 )
LYS( 12 A-154 )
GLU( 12 A-153 )
LEU( 12 A-152 )
ALA( 12 A-151 )
PRO( 12 A-150 )
VAL( 12 A-149 )
PRO( 12 A-148 )
ALA( 12 A-147 )
LEU( 12 A-146 )
LEU( 12 A-145 )
ILE( 12 A-144 )
ARG( 12 A-143 )
THR( 12 A-142 )
GLN( 12 A-141 )
THR( 12 A-140 )
ALA( 12 A-139 )
MET( 12 A-138 )
SER( 12 A-137 )
GLU( 12 A-136 )
LEU( 12 A-135 )
GLY( 12 A-134 )
SER( 12 A-133 )
LEU( 12 A-132 )
PHE( 12 A-131 )
GLU( 12 A-130 )
ALA( 12 A-129 )
GLY( 12 A-128 )
TYR( 12 A-127 )
HIS( 12 A-126 )
ASP( 12 A-125 )
ILE( 12 A-124 )
LEU( 12 A-123 )
GLN( 12 A-122 )
LEU( 12 A-121 )
LEU( 12 A-120 )
ALA( 12 A-119 )
GLY( 12 A-118 )
GLN( 12 A-117 )
GLY( 12 A-116 )
LYS( 12 A-115 )
SER( 12 A-114 )
PRO( 12 A-113 )
SER( 12 A-112 )
GLY( 12 A-111 )
PRO( 12 A-110 )
PRO( 12 A-109 )
PHE( 12 A-108 )
ALA( 12 A-107 )
ARG( 12 A-106 )
TYR( 12 A-105 )
PHE( 12 A-104 )
GLY( 12 A-103 )
MET( 12 A-102 )
SER( 12 A-101 )
ALA( 12 A-100 )
GLY( 12 A -99 )
THR( 12 A -98 )
PHE( 12 A -97 )
GLU( 12 A -96 )
VAL( 12 A -95 )
GLU( 12 A -94 )
PHE( 12 A -93 )
GLY( 12 A -92 )
PHE( 12 A -91 )
PRO( 12 A -90 )
VAL( 12 A -89 )
GLU( 12 A -88 )
GLY( 12 A -87 )
GLY( 12 A -86 )
VAL( 12 A -85 )
GLU( 12 A -84 )
GLY( 12 A -83 )
SER( 12 A -82 )
GLY( 12 A -81 )
ARG( 12 A -80 )
VAL( 12 A -79 )
VAL( 12 A -78 )
THR( 12 A -77 )
GLY( 12 A -76 )
LEU( 12 A -75 )
THR( 12 A -74 )
PRO( 12 A -73 )
SER( 12 A -72 )
GLY( 12 A -71 )
LYS( 12 A -70 )
ALA( 12 A -69 )
ALA( 12 A -68 )
SER( 12 A -67 )
SER( 12 A -66 )
LEU( 12 A -65 )
TYR( 12 A -64 )
ILE( 12 A -63 )
GLY( 12 A -62 )
PRO( 12 A -61 )
TYR( 12 A -60 )
GLY( 12 A -59 )
GLU( 12 A -58 )
ILE( 12 A -57 )
GLU( 12 A -56 )
ALA( 12 A -55 )
VAL( 12 A -54 )
TYR( 12 A -53 )
ASP( 12 A -52 )
ALA( 12 A -51 )
LEU( 12 A -50 )
MET( 12 A -49 )
LYS( 12 A -48 )
TRP( 12 A -47 )
VAL( 12 A -46 )
ASP( 12 A -45 )
ASP( 12 A -44 )
ASN( 12 A -43 )
GLY( 12 A -42 )
PHE( 12 A -41 )
ASP( 12 A -40 )
LEU( 12 A -39 )
SER( 12 A -38 )
GLY( 12 A -37 )
GLU( 12 A -36 )
ALA( 12 A -35 )
TYR( 12 A -34 )
GLU( 12 A -33 )
ILE( 12 A -32 )
TYR( 12 A -31 )
LEU( 12 A -30 )
ASP( 12 A -29 )
ASN( 12 A -28 )
PRO( 12 A -27 )
ALA( 12 A -26 )
GLU( 12 A -25 )
THR( 12 A -24 )
ALA( 12 A -23 )
PRO( 12 A -22 )
ASP( 12 A -21 )
GLN( 12 A -20 )
LEU( 12 A -19 )
ARG( 12 A -18 )
THR( 12 A -17 )
ARG( 12 A -16 )
VAL( 12 A -15 )
SER( 12 A -14 )
LEU( 12 A -13 )
MET( 12 A -12 )
LEU( 12 A -11 )
HIS( 12 A -10 )
GLU( 12 A -9 )
SER( 12 A -8 )
LEU( 12 A -7 )
GLU( 12 A -6 )
HIS( 12 A -5 )
HIS( 12 A -4 )
HIS( 12 A -3 )
HIS( 12 A -2 )
HIS( 12 A -1 )
HIS( 12 A 0 )
MET( 13 A-165 )
ASP( 13 A-164 )
PHE( 13 A-163 )
GLU( 13 A-162 )
CYS( 13 A-161 )
GLN( 13 A-160 )
PHE( 13 A-159 )
VAL( 13 A-158 )
CYS( 13 A-157 )
GLU( 13 A-156 )
LEU( 13 A-155 )
LYS( 13 A-154 )
GLU( 13 A-153 )
LEU( 13 A-152 )
ALA( 13 A-151 )
PRO( 13 A-150 )
VAL( 13 A-149 )
PRO( 13 A-148 )
ALA( 13 A-147 )
LEU( 13 A-146 )
LEU( 13 A-145 )
ILE( 13 A-144 )
ARG( 13 A-143 )
THR( 13 A-142 )
GLN( 13 A-141 )
THR( 13 A-140 )
ALA( 13 A-139 )
MET( 13 A-138 )
SER( 13 A-137 )
GLU( 13 A-136 )
LEU( 13 A-135 )
GLY( 13 A-134 )
SER( 13 A-133 )
LEU( 13 A-132 )
PHE( 13 A-131 )
GLU( 13 A-130 )
ALA( 13 A-129 )
GLY( 13 A-128 )
TYR( 13 A-127 )
HIS( 13 A-126 )
ASP( 13 A-125 )
ILE( 13 A-124 )
LEU( 13 A-123 )
GLN( 13 A-122 )
LEU( 13 A-121 )
LEU( 13 A-120 )
ALA( 13 A-119 )
GLY( 13 A-118 )
GLN( 13 A-117 )
GLY( 13 A-116 )
LYS( 13 A-115 )
SER( 13 A-114 )
PRO( 13 A-113 )
SER( 13 A-112 )
GLY( 13 A-111 )
PRO( 13 A-110 )
PRO( 13 A-109 )
PHE( 13 A-108 )
ALA( 13 A-107 )
ARG( 13 A-106 )
TYR( 13 A-105 )
PHE( 13 A-104 )
GLY( 13 A-103 )
MET( 13 A-102 )
SER( 13 A-101 )
ALA( 13 A-100 )
GLY( 13 A -99 )
THR( 13 A -98 )
PHE( 13 A -97 )
GLU( 13 A -96 )
VAL( 13 A -95 )
GLU( 13 A -94 )
PHE( 13 A -93 )
GLY( 13 A -92 )
PHE( 13 A -91 )
PRO( 13 A -90 )
VAL( 13 A -89 )
GLU( 13 A -88 )
GLY( 13 A -87 )
GLY( 13 A -86 )
VAL( 13 A -85 )
GLU( 13 A -84 )
GLY( 13 A -83 )
SER( 13 A -82 )
GLY( 13 A -81 )
ARG( 13 A -80 )
VAL( 13 A -79 )
VAL( 13 A -78 )
THR( 13 A -77 )
GLY( 13 A -76 )
LEU( 13 A -75 )
THR( 13 A -74 )
PRO( 13 A -73 )
SER( 13 A -72 )
GLY( 13 A -71 )
LYS( 13 A -70 )
ALA( 13 A -69 )
ALA( 13 A -68 )
SER( 13 A -67 )
SER( 13 A -66 )
LEU( 13 A -65 )
TYR( 13 A -64 )
ILE( 13 A -63 )
GLY( 13 A -62 )
PRO( 13 A -61 )
TYR( 13 A -60 )
GLY( 13 A -59 )
GLU( 13 A -58 )
ILE( 13 A -57 )
GLU( 13 A -56 )
ALA( 13 A -55 )
VAL( 13 A -54 )
TYR( 13 A -53 )
ASP( 13 A -52 )
ALA( 13 A -51 )
LEU( 13 A -50 )
MET( 13 A -49 )
LYS( 13 A -48 )
TRP( 13 A -47 )
VAL( 13 A -46 )
ASP( 13 A -45 )
ASP( 13 A -44 )
ASN( 13 A -43 )
GLY( 13 A -42 )
PHE( 13 A -41 )
ASP( 13 A -40 )
LEU( 13 A -39 )
SER( 13 A -38 )
GLY( 13 A -37 )
GLU( 13 A -36 )
ALA( 13 A -35 )
TYR( 13 A -34 )
GLU( 13 A -33 )
ILE( 13 A -32 )
TYR( 13 A -31 )
LEU( 13 A -30 )
ASP( 13 A -29 )
ASN( 13 A -28 )
PRO( 13 A -27 )
ALA( 13 A -26 )
GLU( 13 A -25 )
THR( 13 A -24 )
ALA( 13 A -23 )
PRO( 13 A -22 )
ASP( 13 A -21 )
GLN( 13 A -20 )
LEU( 13 A -19 )
ARG( 13 A -18 )
THR( 13 A -17 )
ARG( 13 A -16 )
VAL( 13 A -15 )
SER( 13 A -14 )
LEU( 13 A -13 )
MET( 13 A -12 )
LEU( 13 A -11 )
HIS( 13 A -10 )
GLU( 13 A -9 )
SER( 13 A -8 )
LEU( 13 A -7 )
GLU( 13 A -6 )
HIS( 13 A -5 )
HIS( 13 A -4 )
HIS( 13 A -3 )
HIS( 13 A -2 )
HIS( 13 A -1 )
HIS( 13 A 0 )
MET( 14 A-165 )
ASP( 14 A-164 )
PHE( 14 A-163 )
GLU( 14 A-162 )
CYS( 14 A-161 )
GLN( 14 A-160 )
PHE( 14 A-159 )
VAL( 14 A-158 )
CYS( 14 A-157 )
GLU( 14 A-156 )
LEU( 14 A-155 )
LYS( 14 A-154 )
GLU( 14 A-153 )
LEU( 14 A-152 )
ALA( 14 A-151 )
PRO( 14 A-150 )
VAL( 14 A-149 )
PRO( 14 A-148 )
ALA( 14 A-147 )
LEU( 14 A-146 )
LEU( 14 A-145 )
ILE( 14 A-144 )
ARG( 14 A-143 )
THR( 14 A-142 )
GLN( 14 A-141 )
THR( 14 A-140 )
ALA( 14 A-139 )
MET( 14 A-138 )
SER( 14 A-137 )
GLU( 14 A-136 )
LEU( 14 A-135 )
GLY( 14 A-134 )
SER( 14 A-133 )
LEU( 14 A-132 )
PHE( 14 A-131 )
GLU( 14 A-130 )
ALA( 14 A-129 )
GLY( 14 A-128 )
TYR( 14 A-127 )
HIS( 14 A-126 )
ASP( 14 A-125 )
ILE( 14 A-124 )
LEU( 14 A-123 )
GLN( 14 A-122 )
LEU( 14 A-121 )
LEU( 14 A-120 )
ALA( 14 A-119 )
GLY( 14 A-118 )
GLN( 14 A-117 )
GLY( 14 A-116 )
LYS( 14 A-115 )
SER( 14 A-114 )
PRO( 14 A-113 )
SER( 14 A-112 )
GLY( 14 A-111 )
PRO( 14 A-110 )
PRO( 14 A-109 )
PHE( 14 A-108 )
ALA( 14 A-107 )
ARG( 14 A-106 )
TYR( 14 A-105 )
PHE( 14 A-104 )
GLY( 14 A-103 )
MET( 14 A-102 )
SER( 14 A-101 )
ALA( 14 A-100 )
GLY( 14 A -99 )
THR( 14 A -98 )
PHE( 14 A -97 )
GLU( 14 A -96 )
VAL( 14 A -95 )
GLU( 14 A -94 )
PHE( 14 A -93 )
GLY( 14 A -92 )
PHE( 14 A -91 )
PRO( 14 A -90 )
VAL( 14 A -89 )
GLU( 14 A -88 )
GLY( 14 A -87 )
GLY( 14 A -86 )
VAL( 14 A -85 )
GLU( 14 A -84 )
GLY( 14 A -83 )
SER( 14 A -82 )
GLY( 14 A -81 )
ARG( 14 A -80 )
VAL( 14 A -79 )
VAL( 14 A -78 )
THR( 14 A -77 )
GLY( 14 A -76 )
LEU( 14 A -75 )
THR( 14 A -74 )
PRO( 14 A -73 )
SER( 14 A -72 )
GLY( 14 A -71 )
LYS( 14 A -70 )
ALA( 14 A -69 )
ALA( 14 A -68 )
SER( 14 A -67 )
SER( 14 A -66 )
LEU( 14 A -65 )
TYR( 14 A -64 )
ILE( 14 A -63 )
GLY( 14 A -62 )
PRO( 14 A -61 )
TYR( 14 A -60 )
GLY( 14 A -59 )
GLU( 14 A -58 )
ILE( 14 A -57 )
GLU( 14 A -56 )
ALA( 14 A -55 )
VAL( 14 A -54 )
TYR( 14 A -53 )
ASP( 14 A -52 )
ALA( 14 A -51 )
LEU( 14 A -50 )
MET( 14 A -49 )
LYS( 14 A -48 )
TRP( 14 A -47 )
VAL( 14 A -46 )
ASP( 14 A -45 )
ASP( 14 A -44 )
ASN( 14 A -43 )
GLY( 14 A -42 )
PHE( 14 A -41 )
ASP( 14 A -40 )
LEU( 14 A -39 )
SER( 14 A -38 )
GLY( 14 A -37 )
GLU( 14 A -36 )
ALA( 14 A -35 )
TYR( 14 A -34 )
GLU( 14 A -33 )
ILE( 14 A -32 )
TYR( 14 A -31 )
LEU( 14 A -30 )
ASP( 14 A -29 )
ASN( 14 A -28 )
PRO( 14 A -27 )
ALA( 14 A -26 )
GLU( 14 A -25 )
THR( 14 A -24 )
ALA( 14 A -23 )
PRO( 14 A -22 )
ASP( 14 A -21 )
GLN( 14 A -20 )
LEU( 14 A -19 )
ARG( 14 A -18 )
THR( 14 A -17 )
ARG( 14 A -16 )
VAL( 14 A -15 )
SER( 14 A -14 )
LEU( 14 A -13 )
MET( 14 A -12 )
LEU( 14 A -11 )
HIS( 14 A -10 )
GLU( 14 A -9 )
SER( 14 A -8 )
LEU( 14 A -7 )
GLU( 14 A -6 )
HIS( 14 A -5 )
HIS( 14 A -4 )
HIS( 14 A -3 )
HIS( 14 A -2 )
HIS( 14 A -1 )
HIS( 14 A 0 )
MET( 15 A-165 )
ASP( 15 A-164 )
PHE( 15 A-163 )
GLU( 15 A-162 )
CYS( 15 A-161 )
GLN( 15 A-160 )
PHE( 15 A-159 )
VAL( 15 A-158 )
CYS( 15 A-157 )
GLU( 15 A-156 )
LEU( 15 A-155 )
LYS( 15 A-154 )
GLU( 15 A-153 )
LEU( 15 A-152 )
ALA( 15 A-151 )
PRO( 15 A-150 )
VAL( 15 A-149 )
PRO( 15 A-148 )
ALA( 15 A-147 )
LEU( 15 A-146 )
LEU( 15 A-145 )
ILE( 15 A-144 )
ARG( 15 A-143 )
THR( 15 A-142 )
GLN( 15 A-141 )
THR( 15 A-140 )
ALA( 15 A-139 )
MET( 15 A-138 )
SER( 15 A-137 )
GLU( 15 A-136 )
LEU( 15 A-135 )
GLY( 15 A-134 )
SER( 15 A-133 )
LEU( 15 A-132 )
PHE( 15 A-131 )
GLU( 15 A-130 )
ALA( 15 A-129 )
GLY( 15 A-128 )
TYR( 15 A-127 )
HIS( 15 A-126 )
ASP( 15 A-125 )
ILE( 15 A-124 )
LEU( 15 A-123 )
GLN( 15 A-122 )
LEU( 15 A-121 )
LEU( 15 A-120 )
ALA( 15 A-119 )
GLY( 15 A-118 )
GLN( 15 A-117 )
GLY( 15 A-116 )
LYS( 15 A-115 )
SER( 15 A-114 )
PRO( 15 A-113 )
SER( 15 A-112 )
GLY( 15 A-111 )
PRO( 15 A-110 )
PRO( 15 A-109 )
PHE( 15 A-108 )
ALA( 15 A-107 )
ARG( 15 A-106 )
TYR( 15 A-105 )
PHE( 15 A-104 )
GLY( 15 A-103 )
MET( 15 A-102 )
SER( 15 A-101 )
ALA( 15 A-100 )
GLY( 15 A -99 )
THR( 15 A -98 )
PHE( 15 A -97 )
GLU( 15 A -96 )
VAL( 15 A -95 )
GLU( 15 A -94 )
PHE( 15 A -93 )
GLY( 15 A -92 )
PHE( 15 A -91 )
PRO( 15 A -90 )
VAL( 15 A -89 )
GLU( 15 A -88 )
GLY( 15 A -87 )
GLY( 15 A -86 )
VAL( 15 A -85 )
GLU( 15 A -84 )
GLY( 15 A -83 )
SER( 15 A -82 )
GLY( 15 A -81 )
ARG( 15 A -80 )
VAL( 15 A -79 )
VAL( 15 A -78 )
THR( 15 A -77 )
GLY( 15 A -76 )
LEU( 15 A -75 )
THR( 15 A -74 )
PRO( 15 A -73 )
SER( 15 A -72 )
GLY( 15 A -71 )
LYS( 15 A -70 )
ALA( 15 A -69 )
ALA( 15 A -68 )
SER( 15 A -67 )
SER( 15 A -66 )
LEU( 15 A -65 )
TYR( 15 A -64 )
ILE( 15 A -63 )
GLY( 15 A -62 )
PRO( 15 A -61 )
TYR( 15 A -60 )
GLY( 15 A -59 )
GLU( 15 A -58 )
ILE( 15 A -57 )
GLU( 15 A -56 )
ALA( 15 A -55 )
VAL( 15 A -54 )
TYR( 15 A -53 )
ASP( 15 A -52 )
ALA( 15 A -51 )
LEU( 15 A -50 )
MET( 15 A -49 )
LYS( 15 A -48 )
TRP( 15 A -47 )
VAL( 15 A -46 )
ASP( 15 A -45 )
ASP( 15 A -44 )
ASN( 15 A -43 )
GLY( 15 A -42 )
PHE( 15 A -41 )
ASP( 15 A -40 )
LEU( 15 A -39 )
SER( 15 A -38 )
GLY( 15 A -37 )
GLU( 15 A -36 )
ALA( 15 A -35 )
TYR( 15 A -34 )
GLU( 15 A -33 )
ILE( 15 A -32 )
TYR( 15 A -31 )
LEU( 15 A -30 )
ASP( 15 A -29 )
ASN( 15 A -28 )
PRO( 15 A -27 )
ALA( 15 A -26 )
GLU( 15 A -25 )
THR( 15 A -24 )
ALA( 15 A -23 )
PRO( 15 A -22 )
ASP( 15 A -21 )
GLN( 15 A -20 )
LEU( 15 A -19 )
ARG( 15 A -18 )
THR( 15 A -17 )
ARG( 15 A -16 )
VAL( 15 A -15 )
SER( 15 A -14 )
LEU( 15 A -13 )
MET( 15 A -12 )
LEU( 15 A -11 )
HIS( 15 A -10 )
GLU( 15 A -9 )
SER( 15 A -8 )
LEU( 15 A -7 )
GLU( 15 A -6 )
HIS( 15 A -5 )
HIS( 15 A -4 )
HIS( 15 A -3 )
HIS( 15 A -2 )
HIS( 15 A -1 )
HIS( 15 A 0 )
MET( 16 A-165 )
ASP( 16 A-164 )
PHE( 16 A-163 )
GLU( 16 A-162 )
CYS( 16 A-161 )
GLN( 16 A-160 )
PHE( 16 A-159 )
VAL( 16 A-158 )
CYS( 16 A-157 )
GLU( 16 A-156 )
LEU( 16 A-155 )
LYS( 16 A-154 )
GLU( 16 A-153 )
LEU( 16 A-152 )
ALA( 16 A-151 )
PRO( 16 A-150 )
VAL( 16 A-149 )
PRO( 16 A-148 )
ALA( 16 A-147 )
LEU( 16 A-146 )
LEU( 16 A-145 )
ILE( 16 A-144 )
ARG( 16 A-143 )
THR( 16 A-142 )
GLN( 16 A-141 )
THR( 16 A-140 )
ALA( 16 A-139 )
MET( 16 A-138 )
SER( 16 A-137 )
GLU( 16 A-136 )
LEU( 16 A-135 )
GLY( 16 A-134 )
SER( 16 A-133 )
LEU( 16 A-132 )
PHE( 16 A-131 )
GLU( 16 A-130 )
ALA( 16 A-129 )
GLY( 16 A-128 )
TYR( 16 A-127 )
HIS( 16 A-126 )
ASP( 16 A-125 )
ILE( 16 A-124 )
LEU( 16 A-123 )
GLN( 16 A-122 )
LEU( 16 A-121 )
LEU( 16 A-120 )
ALA( 16 A-119 )
GLY( 16 A-118 )
GLN( 16 A-117 )
GLY( 16 A-116 )
LYS( 16 A-115 )
SER( 16 A-114 )
PRO( 16 A-113 )
SER( 16 A-112 )
GLY( 16 A-111 )
PRO( 16 A-110 )
PRO( 16 A-109 )
PHE( 16 A-108 )
ALA( 16 A-107 )
ARG( 16 A-106 )
TYR( 16 A-105 )
PHE( 16 A-104 )
GLY( 16 A-103 )
MET( 16 A-102 )
SER( 16 A-101 )
ALA( 16 A-100 )
GLY( 16 A -99 )
THR( 16 A -98 )
PHE( 16 A -97 )
GLU( 16 A -96 )
VAL( 16 A -95 )
GLU( 16 A -94 )
PHE( 16 A -93 )
GLY( 16 A -92 )
PHE( 16 A -91 )
PRO( 16 A -90 )
VAL( 16 A -89 )
GLU( 16 A -88 )
GLY( 16 A -87 )
GLY( 16 A -86 )
VAL( 16 A -85 )
GLU( 16 A -84 )
GLY( 16 A -83 )
SER( 16 A -82 )
GLY( 16 A -81 )
ARG( 16 A -80 )
VAL( 16 A -79 )
VAL( 16 A -78 )
THR( 16 A -77 )
GLY( 16 A -76 )
LEU( 16 A -75 )
THR( 16 A -74 )
PRO( 16 A -73 )
SER( 16 A -72 )
GLY( 16 A -71 )
LYS( 16 A -70 )
ALA( 16 A -69 )
ALA( 16 A -68 )
SER( 16 A -67 )
SER( 16 A -66 )
LEU( 16 A -65 )
TYR( 16 A -64 )
ILE( 16 A -63 )
GLY( 16 A -62 )
PRO( 16 A -61 )
TYR( 16 A -60 )
GLY( 16 A -59 )
GLU( 16 A -58 )
ILE( 16 A -57 )
GLU( 16 A -56 )
ALA( 16 A -55 )
VAL( 16 A -54 )
TYR( 16 A -53 )
ASP( 16 A -52 )
ALA( 16 A -51 )
LEU( 16 A -50 )
MET( 16 A -49 )
LYS( 16 A -48 )
TRP( 16 A -47 )
VAL( 16 A -46 )
ASP( 16 A -45 )
ASP( 16 A -44 )
ASN( 16 A -43 )
GLY( 16 A -42 )
PHE( 16 A -41 )
ASP( 16 A -40 )
LEU( 16 A -39 )
SER( 16 A -38 )
GLY( 16 A -37 )
GLU( 16 A -36 )
ALA( 16 A -35 )
TYR( 16 A -34 )
GLU( 16 A -33 )
ILE( 16 A -32 )
TYR( 16 A -31 )
LEU( 16 A -30 )
ASP( 16 A -29 )
ASN( 16 A -28 )
PRO( 16 A -27 )
ALA( 16 A -26 )
GLU( 16 A -25 )
THR( 16 A -24 )
ALA( 16 A -23 )
PRO( 16 A -22 )
ASP( 16 A -21 )
GLN( 16 A -20 )
LEU( 16 A -19 )
ARG( 16 A -18 )
THR( 16 A -17 )
ARG( 16 A -16 )
VAL( 16 A -15 )
SER( 16 A -14 )
LEU( 16 A -13 )
MET( 16 A -12 )
LEU( 16 A -11 )
HIS( 16 A -10 )
GLU( 16 A -9 )
SER( 16 A -8 )
LEU( 16 A -7 )
GLU( 16 A -6 )
HIS( 16 A -5 )
HIS( 16 A -4 )
HIS( 16 A -3 )
HIS( 16 A -2 )
HIS( 16 A -1 )
HIS( 16 A 0 )
MET( 17 A-165 )
ASP( 17 A-164 )
PHE( 17 A-163 )
GLU( 17 A-162 )
CYS( 17 A-161 )
GLN( 17 A-160 )
PHE( 17 A-159 )
VAL( 17 A-158 )
CYS( 17 A-157 )
GLU( 17 A-156 )
LEU( 17 A-155 )
LYS( 17 A-154 )
GLU( 17 A-153 )
LEU( 17 A-152 )
ALA( 17 A-151 )
PRO( 17 A-150 )
VAL( 17 A-149 )
PRO( 17 A-148 )
ALA( 17 A-147 )
LEU( 17 A-146 )
LEU( 17 A-145 )
ILE( 17 A-144 )
ARG( 17 A-143 )
THR( 17 A-142 )
GLN( 17 A-141 )
THR( 17 A-140 )
ALA( 17 A-139 )
MET( 17 A-138 )
SER( 17 A-137 )
GLU( 17 A-136 )
LEU( 17 A-135 )
GLY( 17 A-134 )
SER( 17 A-133 )
LEU( 17 A-132 )
PHE( 17 A-131 )
GLU( 17 A-130 )
ALA( 17 A-129 )
GLY( 17 A-128 )
TYR( 17 A-127 )
HIS( 17 A-126 )
ASP( 17 A-125 )
ILE( 17 A-124 )
LEU( 17 A-123 )
GLN( 17 A-122 )
LEU( 17 A-121 )
LEU( 17 A-120 )
ALA( 17 A-119 )
GLY( 17 A-118 )
GLN( 17 A-117 )
GLY( 17 A-116 )
LYS( 17 A-115 )
SER( 17 A-114 )
PRO( 17 A-113 )
SER( 17 A-112 )
GLY( 17 A-111 )
PRO( 17 A-110 )
PRO( 17 A-109 )
PHE( 17 A-108 )
ALA( 17 A-107 )
ARG( 17 A-106 )
TYR( 17 A-105 )
PHE( 17 A-104 )
GLY( 17 A-103 )
MET( 17 A-102 )
SER( 17 A-101 )
ALA( 17 A-100 )
GLY( 17 A -99 )
THR( 17 A -98 )
PHE( 17 A -97 )
GLU( 17 A -96 )
VAL( 17 A -95 )
GLU( 17 A -94 )
PHE( 17 A -93 )
GLY( 17 A -92 )
PHE( 17 A -91 )
PRO( 17 A -90 )
VAL( 17 A -89 )
GLU( 17 A -88 )
GLY( 17 A -87 )
GLY( 17 A -86 )
VAL( 17 A -85 )
GLU( 17 A -84 )
GLY( 17 A -83 )
SER( 17 A -82 )
GLY( 17 A -81 )
ARG( 17 A -80 )
VAL( 17 A -79 )
VAL( 17 A -78 )
THR( 17 A -77 )
GLY( 17 A -76 )
LEU( 17 A -75 )
THR( 17 A -74 )
PRO( 17 A -73 )
SER( 17 A -72 )
GLY( 17 A -71 )
LYS( 17 A -70 )
ALA( 17 A -69 )
ALA( 17 A -68 )
SER( 17 A -67 )
SER( 17 A -66 )
LEU( 17 A -65 )
TYR( 17 A -64 )
ILE( 17 A -63 )
GLY( 17 A -62 )
PRO( 17 A -61 )
TYR( 17 A -60 )
GLY( 17 A -59 )
GLU( 17 A -58 )
ILE( 17 A -57 )
GLU( 17 A -56 )
ALA( 17 A -55 )
VAL( 17 A -54 )
TYR( 17 A -53 )
ASP( 17 A -52 )
ALA( 17 A -51 )
LEU( 17 A -50 )
MET( 17 A -49 )
LYS( 17 A -48 )
TRP( 17 A -47 )
VAL( 17 A -46 )
ASP( 17 A -45 )
ASP( 17 A -44 )
ASN( 17 A -43 )
GLY( 17 A -42 )
PHE( 17 A -41 )
ASP( 17 A -40 )
LEU( 17 A -39 )
SER( 17 A -38 )
GLY( 17 A -37 )
GLU( 17 A -36 )
ALA( 17 A -35 )
TYR( 17 A -34 )
GLU( 17 A -33 )
ILE( 17 A -32 )
TYR( 17 A -31 )
LEU( 17 A -30 )
ASP( 17 A -29 )
ASN( 17 A -28 )
PRO( 17 A -27 )
ALA( 17 A -26 )
GLU( 17 A -25 )
THR( 17 A -24 )
ALA( 17 A -23 )
PRO( 17 A -22 )
ASP( 17 A -21 )
GLN( 17 A -20 )
LEU( 17 A -19 )
ARG( 17 A -18 )
THR( 17 A -17 )
ARG( 17 A -16 )
VAL( 17 A -15 )
SER( 17 A -14 )
LEU( 17 A -13 )
MET( 17 A -12 )
LEU( 17 A -11 )
HIS( 17 A -10 )
GLU( 17 A -9 )
SER( 17 A -8 )
LEU( 17 A -7 )
GLU( 17 A -6 )
HIS( 17 A -5 )
HIS( 17 A -4 )
HIS( 17 A -3 )
HIS( 17 A -2 )
HIS( 17 A -1 )
HIS( 17 A 0 )
MET( 18 A-165 )
ASP( 18 A-164 )
PHE( 18 A-163 )
GLU( 18 A-162 )
CYS( 18 A-161 )
GLN( 18 A-160 )
PHE( 18 A-159 )
VAL( 18 A-158 )
CYS( 18 A-157 )
GLU( 18 A-156 )
LEU( 18 A-155 )
LYS( 18 A-154 )
GLU( 18 A-153 )
LEU( 18 A-152 )
ALA( 18 A-151 )
PRO( 18 A-150 )
VAL( 18 A-149 )
PRO( 18 A-148 )
ALA( 18 A-147 )
LEU( 18 A-146 )
LEU( 18 A-145 )
ILE( 18 A-144 )
ARG( 18 A-143 )
THR( 18 A-142 )
GLN( 18 A-141 )
THR( 18 A-140 )
ALA( 18 A-139 )
MET( 18 A-138 )
SER( 18 A-137 )
GLU( 18 A-136 )
LEU( 18 A-135 )
GLY( 18 A-134 )
SER( 18 A-133 )
LEU( 18 A-132 )
PHE( 18 A-131 )
GLU( 18 A-130 )
ALA( 18 A-129 )
GLY( 18 A-128 )
TYR( 18 A-127 )
HIS( 18 A-126 )
ASP( 18 A-125 )
ILE( 18 A-124 )
LEU( 18 A-123 )
GLN( 18 A-122 )
LEU( 18 A-121 )
LEU( 18 A-120 )
ALA( 18 A-119 )
GLY( 18 A-118 )
GLN( 18 A-117 )
GLY( 18 A-116 )
LYS( 18 A-115 )
SER( 18 A-114 )
PRO( 18 A-113 )
SER( 18 A-112 )
GLY( 18 A-111 )
PRO( 18 A-110 )
PRO( 18 A-109 )
PHE( 18 A-108 )
ALA( 18 A-107 )
ARG( 18 A-106 )
TYR( 18 A-105 )
PHE( 18 A-104 )
GLY( 18 A-103 )
MET( 18 A-102 )
SER( 18 A-101 )
ALA( 18 A-100 )
GLY( 18 A -99 )
THR( 18 A -98 )
PHE( 18 A -97 )
GLU( 18 A -96 )
VAL( 18 A -95 )
GLU( 18 A -94 )
PHE( 18 A -93 )
GLY( 18 A -92 )
PHE( 18 A -91 )
PRO( 18 A -90 )
VAL( 18 A -89 )
GLU( 18 A -88 )
GLY( 18 A -87 )
GLY( 18 A -86 )
VAL( 18 A -85 )
GLU( 18 A -84 )
GLY( 18 A -83 )
SER( 18 A -82 )
GLY( 18 A -81 )
ARG( 18 A -80 )
VAL( 18 A -79 )
VAL( 18 A -78 )
THR( 18 A -77 )
GLY( 18 A -76 )
LEU( 18 A -75 )
THR( 18 A -74 )
PRO( 18 A -73 )
SER( 18 A -72 )
GLY( 18 A -71 )
LYS( 18 A -70 )
ALA( 18 A -69 )
ALA( 18 A -68 )
SER( 18 A -67 )
SER( 18 A -66 )
LEU( 18 A -65 )
TYR( 18 A -64 )
ILE( 18 A -63 )
GLY( 18 A -62 )
PRO( 18 A -61 )
TYR( 18 A -60 )
GLY( 18 A -59 )
GLU( 18 A -58 )
ILE( 18 A -57 )
GLU( 18 A -56 )
ALA( 18 A -55 )
VAL( 18 A -54 )
TYR( 18 A -53 )
ASP( 18 A -52 )
ALA( 18 A -51 )
LEU( 18 A -50 )
MET( 18 A -49 )
LYS( 18 A -48 )
TRP( 18 A -47 )
VAL( 18 A -46 )
ASP( 18 A -45 )
ASP( 18 A -44 )
ASN( 18 A -43 )
GLY( 18 A -42 )
PHE( 18 A -41 )
ASP( 18 A -40 )
LEU( 18 A -39 )
SER( 18 A -38 )
GLY( 18 A -37 )
GLU( 18 A -36 )
ALA( 18 A -35 )
TYR( 18 A -34 )
GLU( 18 A -33 )
ILE( 18 A -32 )
TYR( 18 A -31 )
LEU( 18 A -30 )
ASP( 18 A -29 )
ASN( 18 A -28 )
PRO( 18 A -27 )
ALA( 18 A -26 )
GLU( 18 A -25 )
THR( 18 A -24 )
ALA( 18 A -23 )
PRO( 18 A -22 )
ASP( 18 A -21 )
GLN( 18 A -20 )
LEU( 18 A -19 )
ARG( 18 A -18 )
THR( 18 A -17 )
ARG( 18 A -16 )
VAL( 18 A -15 )
SER( 18 A -14 )
LEU( 18 A -13 )
MET( 18 A -12 )
LEU( 18 A -11 )
HIS( 18 A -10 )
GLU( 18 A -9 )
SER( 18 A -8 )
LEU( 18 A -7 )
GLU( 18 A -6 )
HIS( 18 A -5 )
HIS( 18 A -4 )
HIS( 18 A -3 )
HIS( 18 A -2 )
HIS( 18 A -1 )
HIS( 18 A 0 )
MET( 19 A-165 )
ASP( 19 A-164 )
PHE( 19 A-163 )
GLU( 19 A-162 )
CYS( 19 A-161 )
GLN( 19 A-160 )
PHE( 19 A-159 )
VAL( 19 A-158 )
CYS( 19 A-157 )
GLU( 19 A-156 )
LEU( 19 A-155 )
LYS( 19 A-154 )
GLU( 19 A-153 )
LEU( 19 A-152 )
ALA( 19 A-151 )
PRO( 19 A-150 )
VAL( 19 A-149 )
PRO( 19 A-148 )
ALA( 19 A-147 )
LEU( 19 A-146 )
LEU( 19 A-145 )
ILE( 19 A-144 )
ARG( 19 A-143 )
THR( 19 A-142 )
GLN( 19 A-141 )
THR( 19 A-140 )
ALA( 19 A-139 )
MET( 19 A-138 )
SER( 19 A-137 )
GLU( 19 A-136 )
LEU( 19 A-135 )
GLY( 19 A-134 )
SER( 19 A-133 )
LEU( 19 A-132 )
PHE( 19 A-131 )
GLU( 19 A-130 )
ALA( 19 A-129 )
GLY( 19 A-128 )
TYR( 19 A-127 )
HIS( 19 A-126 )
ASP( 19 A-125 )
ILE( 19 A-124 )
LEU( 19 A-123 )
GLN( 19 A-122 )
LEU( 19 A-121 )
LEU( 19 A-120 )
ALA( 19 A-119 )
GLY( 19 A-118 )
GLN( 19 A-117 )
GLY( 19 A-116 )
LYS( 19 A-115 )
SER( 19 A-114 )
PRO( 19 A-113 )
SER( 19 A-112 )
GLY( 19 A-111 )
PRO( 19 A-110 )
PRO( 19 A-109 )
PHE( 19 A-108 )
ALA( 19 A-107 )
ARG( 19 A-106 )
TYR( 19 A-105 )
PHE( 19 A-104 )
GLY( 19 A-103 )
MET( 19 A-102 )
SER( 19 A-101 )
ALA( 19 A-100 )
GLY( 19 A -99 )
THR( 19 A -98 )
PHE( 19 A -97 )
GLU( 19 A -96 )
VAL( 19 A -95 )
GLU( 19 A -94 )
PHE( 19 A -93 )
GLY( 19 A -92 )
PHE( 19 A -91 )
PRO( 19 A -90 )
VAL( 19 A -89 )
GLU( 19 A -88 )
GLY( 19 A -87 )
GLY( 19 A -86 )
VAL( 19 A -85 )
GLU( 19 A -84 )
GLY( 19 A -83 )
SER( 19 A -82 )
GLY( 19 A -81 )
ARG( 19 A -80 )
VAL( 19 A -79 )
VAL( 19 A -78 )
THR( 19 A -77 )
GLY( 19 A -76 )
LEU( 19 A -75 )
THR( 19 A -74 )
PRO( 19 A -73 )
SER( 19 A -72 )
GLY( 19 A -71 )
LYS( 19 A -70 )
ALA( 19 A -69 )
ALA( 19 A -68 )
SER( 19 A -67 )
SER( 19 A -66 )
LEU( 19 A -65 )
TYR( 19 A -64 )
ILE( 19 A -63 )
GLY( 19 A -62 )
PRO( 19 A -61 )
TYR( 19 A -60 )
GLY( 19 A -59 )
GLU( 19 A -58 )
ILE( 19 A -57 )
GLU( 19 A -56 )
ALA( 19 A -55 )
VAL( 19 A -54 )
TYR( 19 A -53 )
ASP( 19 A -52 )
ALA( 19 A -51 )
LEU( 19 A -50 )
MET( 19 A -49 )
LYS( 19 A -48 )
TRP( 19 A -47 )
VAL( 19 A -46 )
ASP( 19 A -45 )
ASP( 19 A -44 )
ASN( 19 A -43 )
GLY( 19 A -42 )
PHE( 19 A -41 )
ASP( 19 A -40 )
LEU( 19 A -39 )
SER( 19 A -38 )
GLY( 19 A -37 )
GLU( 19 A -36 )
ALA( 19 A -35 )
TYR( 19 A -34 )
GLU( 19 A -33 )
ILE( 19 A -32 )
TYR( 19 A -31 )
LEU( 19 A -30 )
ASP( 19 A -29 )
ASN( 19 A -28 )
PRO( 19 A -27 )
ALA( 19 A -26 )
GLU( 19 A -25 )
THR( 19 A -24 )
ALA( 19 A -23 )
PRO( 19 A -22 )
ASP( 19 A -21 )
GLN( 19 A -20 )
LEU( 19 A -19 )
ARG( 19 A -18 )
THR( 19 A -17 )
ARG( 19 A -16 )
VAL( 19 A -15 )
SER( 19 A -14 )
LEU( 19 A -13 )
MET( 19 A -12 )
LEU( 19 A -11 )
HIS( 19 A -10 )
GLU( 19 A -9 )
SER( 19 A -8 )
LEU( 19 A -7 )
GLU( 19 A -6 )
HIS( 19 A -5 )
HIS( 19 A -4 )
HIS( 19 A -3 )
HIS( 19 A -2 )
HIS( 19 A -1 )
HIS( 19 A 0 )
MET( 20 A-165 )
ASP( 20 A-164 )
PHE( 20 A-163 )
GLU( 20 A-162 )
CYS( 20 A-161 )
GLN( 20 A-160 )
PHE( 20 A-159 )
VAL( 20 A-158 )
CYS( 20 A-157 )
GLU( 20 A-156 )
LEU( 20 A-155 )
LYS( 20 A-154 )
GLU( 20 A-153 )
LEU( 20 A-152 )
ALA( 20 A-151 )
PRO( 20 A-150 )
VAL( 20 A-149 )
PRO( 20 A-148 )
ALA( 20 A-147 )
LEU( 20 A-146 )
LEU( 20 A-145 )
ILE( 20 A-144 )
ARG( 20 A-143 )
THR( 20 A-142 )
GLN( 20 A-141 )
THR( 20 A-140 )
ALA( 20 A-139 )
MET( 20 A-138 )
SER( 20 A-137 )
GLU( 20 A-136 )
LEU( 20 A-135 )
GLY( 20 A-134 )
SER( 20 A-133 )
LEU( 20 A-132 )
PHE( 20 A-131 )
GLU( 20 A-130 )
ALA( 20 A-129 )
GLY( 20 A-128 )
TYR( 20 A-127 )
HIS( 20 A-126 )
ASP( 20 A-125 )
ILE( 20 A-124 )
LEU( 20 A-123 )
GLN( 20 A-122 )
LEU( 20 A-121 )
LEU( 20 A-120 )
ALA( 20 A-119 )
GLY( 20 A-118 )
GLN( 20 A-117 )
GLY( 20 A-116 )
LYS( 20 A-115 )
SER( 20 A-114 )
PRO( 20 A-113 )
SER( 20 A-112 )
GLY( 20 A-111 )
PRO( 20 A-110 )
PRO( 20 A-109 )
PHE( 20 A-108 )
ALA( 20 A-107 )
ARG( 20 A-106 )
TYR( 20 A-105 )
PHE( 20 A-104 )
GLY( 20 A-103 )
MET( 20 A-102 )
SER( 20 A-101 )
ALA( 20 A-100 )
GLY( 20 A -99 )
THR( 20 A -98 )
PHE( 20 A -97 )
GLU( 20 A -96 )
VAL( 20 A -95 )
GLU( 20 A -94 )
PHE( 20 A -93 )
GLY( 20 A -92 )
PHE( 20 A -91 )
PRO( 20 A -90 )
VAL( 20 A -89 )
GLU( 20 A -88 )
GLY( 20 A -87 )
GLY( 20 A -86 )
VAL( 20 A -85 )
GLU( 20 A -84 )
GLY( 20 A -83 )
SER( 20 A -82 )
GLY( 20 A -81 )
ARG( 20 A -80 )
VAL( 20 A -79 )
VAL( 20 A -78 )
THR( 20 A -77 )
GLY( 20 A -76 )
LEU( 20 A -75 )
THR( 20 A -74 )
PRO( 20 A -73 )
SER( 20 A -72 )
GLY( 20 A -71 )
LYS( 20 A -70 )
ALA( 20 A -69 )
ALA( 20 A -68 )
SER( 20 A -67 )
SER( 20 A -66 )
LEU( 20 A -65 )
TYR( 20 A -64 )
ILE( 20 A -63 )
GLY( 20 A -62 )
PRO( 20 A -61 )
TYR( 20 A -60 )
GLY( 20 A -59 )
GLU( 20 A -58 )
ILE( 20 A -57 )
GLU( 20 A -56 )
ALA( 20 A -55 )
VAL( 20 A -54 )
TYR( 20 A -53 )
ASP( 20 A -52 )
ALA( 20 A -51 )
LEU( 20 A -50 )
MET( 20 A -49 )
LYS( 20 A -48 )
TRP( 20 A -47 )
VAL( 20 A -46 )
ASP( 20 A -45 )
ASP( 20 A -44 )
ASN( 20 A -43 )
GLY( 20 A -42 )
PHE( 20 A -41 )
ASP( 20 A -40 )
LEU( 20 A -39 )
SER( 20 A -38 )
GLY( 20 A -37 )
GLU( 20 A -36 )
ALA( 20 A -35 )
TYR( 20 A -34 )
GLU( 20 A -33 )
ILE( 20 A -32 )
TYR( 20 A -31 )
LEU( 20 A -30 )
ASP( 20 A -29 )
ASN( 20 A -28 )
PRO( 20 A -27 )
ALA( 20 A -26 )
GLU( 20 A -25 )
THR( 20 A -24 )
ALA( 20 A -23 )
PRO( 20 A -22 )
ASP( 20 A -21 )
GLN( 20 A -20 )
LEU( 20 A -19 )
ARG( 20 A -18 )
THR( 20 A -17 )
ARG( 20 A -16 )
VAL( 20 A -15 )
SER( 20 A -14 )
LEU( 20 A -13 )
MET( 20 A -12 )
LEU( 20 A -11 )
HIS( 20 A -10 )
GLU( 20 A -9 )
SER( 20 A -8 )
LEU( 20 A -7 )
GLU( 20 A -6 )
HIS( 20 A -5 )
HIS( 20 A -4 )
HIS( 20 A -3 )
HIS( 20 A -2 )
HIS( 20 A -1 )
HIS( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET ASP PHE GLU CYS GLN PHE VAL CYS GLU LEU LYS GLU LEU ALA
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: PRO VAL PRO ALA LEU LEU ILE ARG THR GLN THR ALA MET SER GLU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: LEU GLY SER LEU PHE GLU ALA GLY TYR HIS ASP ILE LEU GLN LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: LEU ALA GLY GLN GLY LYS SER PRO SER GLY PRO PRO PHE ALA ARG
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: TYR PHE GLY MET SER ALA GLY THR PHE GLU VAL GLU PHE GLY PHE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: PRO VAL GLU GLY GLY VAL GLU GLY SER GLY ARG VAL VAL THR GLY
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: LEU THR PRO SER GLY LYS ALA ALA SER SER LEU TYR ILE GLY PRO
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
106 120
SEQRES: TYR GLY GLU ILE GLU ALA VAL TYR ASP ALA LEU MET LYS TRP VAL
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
121 135
SEQRES: ASP ASP ASN GLY PHE ASP LEU SER GLY GLU ALA TYR GLU ILE TYR
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
136 150
SEQRES: LEU ASP ASN PRO ALA GLU THR ALA PRO ASP GLN LEU ARG THR ARG
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
151 165
SEQRES: VAL SER LEU MET LEU HIS GLU SER LEU GLU HIS HIS HIS HIS HIS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
166 180
SEQRES: HIS MET ASP PHE GLU CYS GLN PHE VAL CYS GLU LEU LYS GLU LEU
COORDS: ... MET ASP PHE GLU CYS GLN PHE VAL CYS GLU LEU LYS GLU LEU
1 14
181 195
SEQRES: ALA PRO VAL PRO ALA LEU LEU ILE ARG THR GLN THR ALA MET SER
COORDS: ALA PRO VAL PRO ALA LEU LEU ILE ARG THR GLN THR ALA MET SER
15 29
196 210
SEQRES: GLU LEU GLY SER LEU PHE GLU ALA GLY TYR HIS ASP ILE LEU GLN
COORDS: GLU LEU GLY SER LEU PHE GLU ALA GLY TYR HIS ASP ILE LEU GLN
30 44
211 225
SEQRES: LEU LEU ALA GLY GLN GLY LYS SER PRO SER GLY PRO PRO PHE ALA
COORDS: LEU LEU ALA GLY GLN GLY LYS SER PRO SER GLY PRO PRO PHE ALA
45 59
226 240
SEQRES: ARG TYR PHE GLY MET SER ALA GLY THR PHE GLU VAL GLU PHE GLY
COORDS: ARG TYR PHE GLY MET SER ALA GLY THR PHE GLU VAL GLU PHE GLY
60 74
241 255
SEQRES: PHE PRO VAL GLU GLY GLY VAL GLU GLY SER GLY ARG VAL VAL THR
COORDS: PHE PRO VAL GLU GLY GLY VAL GLU GLY SER GLY ARG VAL VAL THR
75 89
256 270
SEQRES: GLY LEU THR PRO SER GLY LYS ALA ALA SER SER LEU TYR ILE GLY
COORDS: GLY LEU THR PRO SER GLY LYS ALA ALA SER SER LEU TYR ILE GLY
90 104
271 285
SEQRES: PRO TYR GLY GLU ILE GLU ALA VAL TYR ASP ALA LEU MET LYS TRP
COORDS: PRO TYR GLY GLU ILE GLU ALA VAL TYR ASP ALA LEU MET LYS TRP
105 119
286 300
SEQRES: VAL ASP ASP ASN GLY PHE ASP LEU SER GLY GLU ALA TYR GLU ILE
COORDS: VAL ASP ASP ASN GLY PHE ASP LEU SER GLY GLU ALA TYR GLU ILE
120 134
301 315
SEQRES: TYR LEU ASP ASN PRO ALA GLU THR ALA PRO ASP GLN LEU ARG THR
COORDS: TYR LEU ASP ASN PRO ALA GLU THR ALA PRO ASP GLN LEU ARG THR
135 149
316 330
SEQRES: ARG VAL SER LEU MET LEU HIS GLU SER LEU GLU HIS HIS HIS HIS
COORDS: ARG VAL SER LEU MET LEU HIS GLU SER LEU GLU HIS HIS HIS HIS
150 164
331 332
SEQRES: HIS HIS
COORDS: HIS HIS
165 166
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 2) HD2
GLU( 1 A 4) HE2
GLU( 1 A 10) HE2
GLU( 1 A 13) HE2
GLU( 1 A 30) HE2
GLU( 1 A 36) HE2
ASP( 1 A 41) HD2
GLU( 1 A 70) HE2
GLU( 1 A 72) HE2
GLU( 1 A 78) HE2
GLU( 1 A 82) HE2
GLU( 1 A 108) HE2
GLU( 1 A 110) HE2
ASP( 1 A 114) HD2
ASP( 1 A 121) HD2
ASP( 1 A 122) HD2
ASP( 1 A 126) HD2
GLU( 1 A 130) HE2
GLU( 1 A 133) HE2
ASP( 1 A 137) HD2
GLU( 1 A 141) HE2
ASP( 1 A 145) HD2
GLU( 1 A 157) HE2
GLU( 1 A 160) HE2
ASP( 2 A 2) HD2
GLU( 2 A 4) HE2
GLU( 2 A 10) HE2
GLU( 2 A 13) HE2
GLU( 2 A 30) HE2
GLU( 2 A 36) HE2
ASP( 2 A 41) HD2
GLU( 2 A 70) HE2
GLU( 2 A 72) HE2
GLU( 2 A 78) HE2
GLU( 2 A 82) HE2
GLU( 2 A 108) HE2
GLU( 2 A 110) HE2
ASP( 2 A 114) HD2
ASP( 2 A 121) HD2
ASP( 2 A 122) HD2
ASP( 2 A 126) HD2
GLU( 2 A 130) HE2
GLU( 2 A 133) HE2
ASP( 2 A 137) HD2
GLU( 2 A 141) HE2
ASP( 2 A 145) HD2
GLU( 2 A 157) HE2
GLU( 2 A 160) HE2
ASP( 3 A 2) HD2
GLU( 3 A 4) HE2
GLU( 3 A 10) HE2
GLU( 3 A 13) HE2
GLU( 3 A 30) HE2
GLU( 3 A 36) HE2
ASP( 3 A 41) HD2
GLU( 3 A 70) HE2
GLU( 3 A 72) HE2
GLU( 3 A 78) HE2
GLU( 3 A 82) HE2
GLU( 3 A 108) HE2
GLU( 3 A 110) HE2
ASP( 3 A 114) HD2
ASP( 3 A 121) HD2
ASP( 3 A 122) HD2
ASP( 3 A 126) HD2
GLU( 3 A 130) HE2
GLU( 3 A 133) HE2
ASP( 3 A 137) HD2
GLU( 3 A 141) HE2
ASP( 3 A 145) HD2
GLU( 3 A 157) HE2
GLU( 3 A 160) HE2
ASP( 4 A 2) HD2
GLU( 4 A 4) HE2
GLU( 4 A 10) HE2
GLU( 4 A 13) HE2
GLU( 4 A 30) HE2
GLU( 4 A 36) HE2
ASP( 4 A 41) HD2
GLU( 4 A 70) HE2
GLU( 4 A 72) HE2
GLU( 4 A 78) HE2
GLU( 4 A 82) HE2
GLU( 4 A 108) HE2
GLU( 4 A 110) HE2
ASP( 4 A 114) HD2
ASP( 4 A 121) HD2
ASP( 4 A 122) HD2
ASP( 4 A 126) HD2
GLU( 4 A 130) HE2
GLU( 4 A 133) HE2
ASP( 4 A 137) HD2
GLU( 4 A 141) HE2
ASP( 4 A 145) HD2
GLU( 4 A 157) HE2
GLU( 4 A 160) HE2
ASP( 5 A 2) HD2
GLU( 5 A 4) HE2
GLU( 5 A 10) HE2
GLU( 5 A 13) HE2
GLU( 5 A 30) HE2
GLU( 5 A 36) HE2
ASP( 5 A 41) HD2
GLU( 5 A 70) HE2
GLU( 5 A 72) HE2
GLU( 5 A 78) HE2
GLU( 5 A 82) HE2
GLU( 5 A 108) HE2
GLU( 5 A 110) HE2
ASP( 5 A 114) HD2
ASP( 5 A 121) HD2
ASP( 5 A 122) HD2
ASP( 5 A 126) HD2
GLU( 5 A 130) HE2
GLU( 5 A 133) HE2
ASP( 5 A 137) HD2
GLU( 5 A 141) HE2
ASP( 5 A 145) HD2
GLU( 5 A 157) HE2
GLU( 5 A 160) HE2
ASP( 6 A 2) HD2
GLU( 6 A 4) HE2
GLU( 6 A 10) HE2
GLU( 6 A 13) HE2
GLU( 6 A 30) HE2
GLU( 6 A 36) HE2
ASP( 6 A 41) HD2
GLU( 6 A 70) HE2
GLU( 6 A 72) HE2
GLU( 6 A 78) HE2
GLU( 6 A 82) HE2
GLU( 6 A 108) HE2
GLU( 6 A 110) HE2
ASP( 6 A 114) HD2
ASP( 6 A 121) HD2
ASP( 6 A 122) HD2
ASP( 6 A 126) HD2
GLU( 6 A 130) HE2
GLU( 6 A 133) HE2
ASP( 6 A 137) HD2
GLU( 6 A 141) HE2
ASP( 6 A 145) HD2
GLU( 6 A 157) HE2
GLU( 6 A 160) HE2
ASP( 7 A 2) HD2
GLU( 7 A 4) HE2
GLU( 7 A 10) HE2
GLU( 7 A 13) HE2
GLU( 7 A 30) HE2
GLU( 7 A 36) HE2
ASP( 7 A 41) HD2
GLU( 7 A 70) HE2
GLU( 7 A 72) HE2
GLU( 7 A 78) HE2
GLU( 7 A 82) HE2
GLU( 7 A 108) HE2
GLU( 7 A 110) HE2
ASP( 7 A 114) HD2
ASP( 7 A 121) HD2
ASP( 7 A 122) HD2
ASP( 7 A 126) HD2
GLU( 7 A 130) HE2
GLU( 7 A 133) HE2
ASP( 7 A 137) HD2
GLU( 7 A 141) HE2
ASP( 7 A 145) HD2
GLU( 7 A 157) HE2
GLU( 7 A 160) HE2
ASP( 8 A 2) HD2
GLU( 8 A 4) HE2
GLU( 8 A 10) HE2
GLU( 8 A 13) HE2
GLU( 8 A 30) HE2
GLU( 8 A 36) HE2
ASP( 8 A 41) HD2
GLU( 8 A 70) HE2
GLU( 8 A 72) HE2
GLU( 8 A 78) HE2
GLU( 8 A 82) HE2
GLU( 8 A 108) HE2
GLU( 8 A 110) HE2
ASP( 8 A 114) HD2
ASP( 8 A 121) HD2
ASP( 8 A 122) HD2
ASP( 8 A 126) HD2
GLU( 8 A 130) HE2
GLU( 8 A 133) HE2
ASP( 8 A 137) HD2
GLU( 8 A 141) HE2
ASP( 8 A 145) HD2
GLU( 8 A 157) HE2
GLU( 8 A 160) HE2
ASP( 9 A 2) HD2
GLU( 9 A 4) HE2
GLU( 9 A 10) HE2
GLU( 9 A 13) HE2
GLU( 9 A 30) HE2
GLU( 9 A 36) HE2
ASP( 9 A 41) HD2
GLU( 9 A 70) HE2
GLU( 9 A 72) HE2
GLU( 9 A 78) HE2
GLU( 9 A 82) HE2
GLU( 9 A 108) HE2
GLU( 9 A 110) HE2
ASP( 9 A 114) HD2
ASP( 9 A 121) HD2
ASP( 9 A 122) HD2
ASP( 9 A 126) HD2
GLU( 9 A 130) HE2
GLU( 9 A 133) HE2
ASP( 9 A 137) HD2
GLU( 9 A 141) HE2
ASP( 9 A 145) HD2
GLU( 9 A 157) HE2
GLU( 9 A 160) HE2
ASP( 10 A 2) HD2
GLU( 10 A 4) HE2
GLU( 10 A 10) HE2
GLU( 10 A 13) HE2
GLU( 10 A 30) HE2
GLU( 10 A 36) HE2
ASP( 10 A 41) HD2
GLU( 10 A 70) HE2
GLU( 10 A 72) HE2
GLU( 10 A 78) HE2
GLU( 10 A 82) HE2
GLU( 10 A 108) HE2
GLU( 10 A 110) HE2
ASP( 10 A 114) HD2
ASP( 10 A 121) HD2
ASP( 10 A 122) HD2
ASP( 10 A 126) HD2
GLU( 10 A 130) HE2
GLU( 10 A 133) HE2
ASP( 10 A 137) HD2
GLU( 10 A 141) HE2
ASP( 10 A 145) HD2
GLU( 10 A 157) HE2
GLU( 10 A 160) HE2
ASP( 11 A 2) HD2
GLU( 11 A 4) HE2
GLU( 11 A 10) HE2
GLU( 11 A 13) HE2
GLU( 11 A 30) HE2
GLU( 11 A 36) HE2
ASP( 11 A 41) HD2
GLU( 11 A 70) HE2
GLU( 11 A 72) HE2
GLU( 11 A 78) HE2
GLU( 11 A 82) HE2
GLU( 11 A 108) HE2
GLU( 11 A 110) HE2
ASP( 11 A 114) HD2
ASP( 11 A 121) HD2
ASP( 11 A 122) HD2
ASP( 11 A 126) HD2
GLU( 11 A 130) HE2
GLU( 11 A 133) HE2
ASP( 11 A 137) HD2
GLU( 11 A 141) HE2
ASP( 11 A 145) HD2
GLU( 11 A 157) HE2
GLU( 11 A 160) HE2
ASP( 12 A 2) HD2
GLU( 12 A 4) HE2
GLU( 12 A 10) HE2
GLU( 12 A 13) HE2
GLU( 12 A 30) HE2
GLU( 12 A 36) HE2
ASP( 12 A 41) HD2
GLU( 12 A 70) HE2
GLU( 12 A 72) HE2
GLU( 12 A 78) HE2
GLU( 12 A 82) HE2
GLU( 12 A 108) HE2
GLU( 12 A 110) HE2
ASP( 12 A 114) HD2
ASP( 12 A 121) HD2
ASP( 12 A 122) HD2
ASP( 12 A 126) HD2
GLU( 12 A 130) HE2
GLU( 12 A 133) HE2
ASP( 12 A 137) HD2
GLU( 12 A 141) HE2
ASP( 12 A 145) HD2
GLU( 12 A 157) HE2
GLU( 12 A 160) HE2
ASP( 13 A 2) HD2
GLU( 13 A 4) HE2
GLU( 13 A 10) HE2
GLU( 13 A 13) HE2
GLU( 13 A 30) HE2
GLU( 13 A 36) HE2
ASP( 13 A 41) HD2
GLU( 13 A 70) HE2
GLU( 13 A 72) HE2
GLU( 13 A 78) HE2
GLU( 13 A 82) HE2
GLU( 13 A 108) HE2
GLU( 13 A 110) HE2
ASP( 13 A 114) HD2
ASP( 13 A 121) HD2
ASP( 13 A 122) HD2
ASP( 13 A 126) HD2
GLU( 13 A 130) HE2
GLU( 13 A 133) HE2
ASP( 13 A 137) HD2
GLU( 13 A 141) HE2
ASP( 13 A 145) HD2
GLU( 13 A 157) HE2
GLU( 13 A 160) HE2
ASP( 14 A 2) HD2
GLU( 14 A 4) HE2
GLU( 14 A 10) HE2
GLU( 14 A 13) HE2
GLU( 14 A 30) HE2
GLU( 14 A 36) HE2
ASP( 14 A 41) HD2
GLU( 14 A 70) HE2
GLU( 14 A 72) HE2
GLU( 14 A 78) HE2
GLU( 14 A 82) HE2
GLU( 14 A 108) HE2
GLU( 14 A 110) HE2
ASP( 14 A 114) HD2
ASP( 14 A 121) HD2
ASP( 14 A 122) HD2
ASP( 14 A 126) HD2
GLU( 14 A 130) HE2
GLU( 14 A 133) HE2
ASP( 14 A 137) HD2
GLU( 14 A 141) HE2
ASP( 14 A 145) HD2
GLU( 14 A 157) HE2
GLU( 14 A 160) HE2
ASP( 15 A 2) HD2
GLU( 15 A 4) HE2
GLU( 15 A 10) HE2
GLU( 15 A 13) HE2
GLU( 15 A 30) HE2
GLU( 15 A 36) HE2
ASP( 15 A 41) HD2
GLU( 15 A 70) HE2
GLU( 15 A 72) HE2
GLU( 15 A 78) HE2
GLU( 15 A 82) HE2
GLU( 15 A 108) HE2
GLU( 15 A 110) HE2
ASP( 15 A 114) HD2
ASP( 15 A 121) HD2
ASP( 15 A 122) HD2
ASP( 15 A 126) HD2
GLU( 15 A 130) HE2
GLU( 15 A 133) HE2
ASP( 15 A 137) HD2
GLU( 15 A 141) HE2
ASP( 15 A 145) HD2
GLU( 15 A 157) HE2
GLU( 15 A 160) HE2
ASP( 16 A 2) HD2
GLU( 16 A 4) HE2
GLU( 16 A 10) HE2
GLU( 16 A 13) HE2
GLU( 16 A 30) HE2
GLU( 16 A 36) HE2
ASP( 16 A 41) HD2
GLU( 16 A 70) HE2
GLU( 16 A 72) HE2
GLU( 16 A 78) HE2
GLU( 16 A 82) HE2
GLU( 16 A 108) HE2
GLU( 16 A 110) HE2
ASP( 16 A 114) HD2
ASP( 16 A 121) HD2
ASP( 16 A 122) HD2
ASP( 16 A 126) HD2
GLU( 16 A 130) HE2
GLU( 16 A 133) HE2
ASP( 16 A 137) HD2
GLU( 16 A 141) HE2
ASP( 16 A 145) HD2
GLU( 16 A 157) HE2
GLU( 16 A 160) HE2
ASP( 17 A 2) HD2
GLU( 17 A 4) HE2
GLU( 17 A 10) HE2
GLU( 17 A 13) HE2
GLU( 17 A 30) HE2
GLU( 17 A 36) HE2
ASP( 17 A 41) HD2
GLU( 17 A 70) HE2
GLU( 17 A 72) HE2
GLU( 17 A 78) HE2
GLU( 17 A 82) HE2
GLU( 17 A 108) HE2
GLU( 17 A 110) HE2
ASP( 17 A 114) HD2
ASP( 17 A 121) HD2
ASP( 17 A 122) HD2
ASP( 17 A 126) HD2
GLU( 17 A 130) HE2
GLU( 17 A 133) HE2
ASP( 17 A 137) HD2
GLU( 17 A 141) HE2
ASP( 17 A 145) HD2
GLU( 17 A 157) HE2
GLU( 17 A 160) HE2
ASP( 18 A 2) HD2
GLU( 18 A 4) HE2
GLU( 18 A 10) HE2
GLU( 18 A 13) HE2
GLU( 18 A 30) HE2
GLU( 18 A 36) HE2
ASP( 18 A 41) HD2
GLU( 18 A 70) HE2
GLU( 18 A 72) HE2
GLU( 18 A 78) HE2
GLU( 18 A 82) HE2
GLU( 18 A 108) HE2
GLU( 18 A 110) HE2
ASP( 18 A 114) HD2
ASP( 18 A 121) HD2
ASP( 18 A 122) HD2
ASP( 18 A 126) HD2
GLU( 18 A 130) HE2
GLU( 18 A 133) HE2
ASP( 18 A 137) HD2
GLU( 18 A 141) HE2
ASP( 18 A 145) HD2
GLU( 18 A 157) HE2
GLU( 18 A 160) HE2
ASP( 19 A 2) HD2
GLU( 19 A 4) HE2
GLU( 19 A 10) HE2
GLU( 19 A 13) HE2
GLU( 19 A 30) HE2
GLU( 19 A 36) HE2
ASP( 19 A 41) HD2
GLU( 19 A 70) HE2
GLU( 19 A 72) HE2
GLU( 19 A 78) HE2
GLU( 19 A 82) HE2
GLU( 19 A 108) HE2
GLU( 19 A 110) HE2
ASP( 19 A 114) HD2
ASP( 19 A 121) HD2
ASP( 19 A 122) HD2
ASP( 19 A 126) HD2
GLU( 19 A 130) HE2
GLU( 19 A 133) HE2
ASP( 19 A 137) HD2
GLU( 19 A 141) HE2
ASP( 19 A 145) HD2
GLU( 19 A 157) HE2
GLU( 19 A 160) HE2
ASP( 20 A 2) HD2
GLU( 20 A 4) HE2
GLU( 20 A 10) HE2
GLU( 20 A 13) HE2
GLU( 20 A 30) HE2
GLU( 20 A 36) HE2
ASP( 20 A 41) HD2
GLU( 20 A 70) HE2
GLU( 20 A 72) HE2
GLU( 20 A 78) HE2
GLU( 20 A 82) HE2
GLU( 20 A 108) HE2
GLU( 20 A 110) HE2
ASP( 20 A 114) HD2
ASP( 20 A 121) HD2
ASP( 20 A 122) HD2
ASP( 20 A 126) HD2
GLU( 20 A 130) HE2
GLU( 20 A 133) HE2
ASP( 20 A 137) HD2
GLU( 20 A 141) HE2
ASP( 20 A 145) HD2
GLU( 20 A 157) HE2
GLU( 20 A 160) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 166) O2
HIS( 2 A 166) O2
HIS( 3 A 166) O2
HIS( 4 A 166) O2
HIS( 5 A 166) O2
HIS( 6 A 166) O2
HIS( 7 A 166) O2
HIS( 8 A 166) O2
HIS( 9 A 166) O2
HIS( 10 A 166) O2
HIS( 11 A 166) O2
HIS( 12 A 166) O2
HIS( 13 A 166) O2
HIS( 14 A 166) O2
HIS( 15 A 166) O2
HIS( 16 A 166) O2
HIS( 17 A 166) O2
HIS( 18 A 166) O2
HIS( 19 A 166) O2
HIS( 20 A 166) O2
CHECK TERMINAL ATOMS
--------------------
Terminal atom(s) showed in middle of sequence will be deleted:
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A