Detailed results of CTR107_R3Cons_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
assign ((resid 142 and name HA )) ( (resid 143 and name HN )) 3.48 3.48 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
46-> MET 28 HN - SER 29 HN [ 0.00 4.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.04 0.13 0.00 0.00 0.26 0.21 0.00 0.00 0.00 0.25 0.00 0.32 0.00 - 7 [ 0.04 .. 0.32]
61-> LEU 46 HB2 - ALA 47 HN [ 0.00 3.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 - 3 [ 0.31 .. 0.38]
79-> PHE 69 HB2 - GLU 70 HN [ 0.00 4.32] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.13]
84-> VAL 71 HB - GLU 72 HN [ 0.00 3.52] 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.45 .. 0.52]
99-> THR 89 HB - GLY 90 HN [ 0.00 3.42] 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 0.00 0.00 0.00 0.11 0.13 0.00 0.02 - 4 [ 0.02 .. 0.13]
140-> PHE 125 HB2 - ASP 126 HN [ 0.00 3.83] 0.00 0.03 0.03 0.11 0.00 0.09 0.02 0.02 0.00 0.07 0.00 0.01 0.00 0.00 0.00 0.06 0.01 0.00 0.00 0.07 - 12 [ 0.00 .. 0.11]
154-> PRO 139 HB3 - ALA 140 HN [ 0.00 3.45] 0.00 0.06 0.05 0.04 0.00 0.00 0.03 0.00 0.05 0.00 0.00 0.07 0.00 0.06 0.00 0.00 0.00 0.00 0.13 0.00 - 8 [ 0.03 .. 0.13]
155-> ALA 140 HN - GLU 141 HN [ 0.00 3.11] 0.00 0.00 0.06 0.00 0.03 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.01 0.33 0.00 - 6 [ 0.01 .. 0.38]
170-> LEU 155 HB3 - HIS 156 HN [ 0.00 4.38] 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.06 0.00 - 4 [ 0.06 .. 0.13]
172-> LEU 159 HN - GLU 160 HN [ 0.00 4.29] 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.05 0.00 0.13 0.08 0.05 0.00 0.05 0.02 0.03 0.00 0.00 0.00 0.00 - 8 [ 0.02 .. 0.13]
173-> GLU 160 HA - HIS 161 HN [ 0.00 2.86] 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 0.05 0.18 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 0.18]
175-> GLN 6 HN - GLN 6 HB3 [ 0.00 3.95] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.10 0.10 0.00 0.15 0.00 0.00 0.00 - 4 [ 0.10 .. 0.15]
200-> THR 68 HN - THR 68 HB [ 0.00 3.48] 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.27 0.00 0.26 0.00 0.00 0.20 0.00 - 5 [ 0.20 .. 0.30]
213-> LYS 118 HN - LYS 118 HB3 [ 0.00 3.42] 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.15 0.00 0.14 0.15 0.16 0.16 0.15 0.00 0.15 0.00 0.00 0.17 0.00 - 9 [ 0.14 .. 0.17]
216-> ASP 121 HN - ASP 121 HB3 [ 0.00 3.42] 0.14 0.00 0.00 0.14 0.14 0.00 0.14 0.13 0.15 0.13 0.14 0.13 0.15 0.13 0.13 0.14 0.00 0.14 0.15 0.14 - 16 [ 0.13 .. 0.15]
222-> PHE 125 HN - PHE 125 HB3 [ 0.00 3.48] 0.19 0.14 0.10 0.15 0.27 0.16 0.22 0.20 0.19 0.19 0.14 0.18 0.12 0.20 0.13 0.19 0.14 0.22 0.20 0.17 - 20 [ 0.10 .. 0.27]
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 0.16 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
229-> THR 142 HN - THR 142 HB [ 0.00 3.30] 0.00 0.37 0.45 0.00 0.00 0.00 0.02 0.36 0.00 0.46 0.00 0.02 0.00 0.00 0.00 0.38 0.00 0.00 0.38 0.00 - 9 [ 0.00 .. 0.46]
231-> ASP 145 HN - ASP 145 HB3 [ 0.00 3.79] 0.24 0.16 0.00 0.19 0.25 0.00 0.25 0.22 0.23 0.00 0.24 0.27 0.23 0.00 0.24 0.23 0.00 0.26 0.25 0.00 - 14 [ 0.16 .. 0.27]
240-> HIS 156 HN - HIS 156 HB3 [ 0.00 3.73] 0.00 0.00 0.00 0.00 0.34 0.06 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 [ 0.06 .. 0.34]
241-> GLU 160 HN - GLU 160 HA [ 0.00 2.80] 0.03 0.01 0.06 0.00 0.05 0.10 0.08 0.08 0.09 0.09 0.00 0.02 0.00 0.05 0.11 0.12 0.00 0.00 0.06 0.13 - 16 [ 0.00 .. 0.13]
242-> GLN 6 HN - PHE 7 HN [ 0.00 4.11] 0.00 0.05 0.00 0.04 0.00 0.00 0.01 0.00 0.00 0.02 0.00 0.07 0.17 0.13 0.00 0.00 0.00 0.00 0.16 0.00 - 9 [ 0.00 .. 0.17]
258-> GLY 67 HN - THR 68 HN [ 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 0.15 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 - 2 [ 0.15 .. 0.37]
274-> GLY 129 HN - GLU 130 HN [ 0.00 3.70] 0.00 0.00 0.00 0.14 0.00 0.11 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.10 0.14 - 7 [ 0.00 .. 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 0.00 0.00 0.35 0.00 0.00 0.29 0.00 0.00 0.00 0.00 - 2 [ 0.29 .. 0.35]
280-> ALA 27 HN - GLU 30 HB3 [ 0.00 4.20] 0.02 0.00 0.00 0.00 0.12 0.06 0.04 0.00 0.00 0.02 0.11 0.13 0.00 0.25 0.03 0.00 0.00 0.43 0.00 0.00 - 10 [ 0.02 .. 0.43]
287-> PRO 53 HB3 - GLY 55 HN [ 0.00 3.95] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.04 0.04 0.00 0.00 0.06 0.00 0.02 0.07 0.00 0.00 - 7 [ 0.00 .. 0.11]
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 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 - 2 [ 0.07 .. 0.15]
297-> LEU 127 HB2 - GLY 129 HN [ 0.00 4.17] 0.00 0.39 0.04 0.71 0.00 0.11 0.50 0.06 0.02 0.00 0.29 0.02 0.06 0.08 0.18 0.04 0.06 0.00 0.42 0.07 - 16 [ 0.02 .. 0.71]
298-> LEU 127 HB3 - GLY 129 HN [ 0.00 3.70] 0.00 0.03 0.00 0.04 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.03 0.43 - 6 [ 0.02 .. 0.43]
299-> ALA 97 HA - LEU 155 HN [ 0.00 5.50] 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.65 0.11 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.04 .. 0.65]
333-> LYS 96 HD2 - ALA 97 HN [ 0.00 5.50] 0.15 0.11 0.10 0.12 0.18 0.18 0.08 0.02 0.12 0.01 0.00 0.07 0.13 0.13 0.12 0.33 0.22 0.08 0.25 0.00 - 18 [ 0.01 .. 0.33]
340-> PRO 144 HG2 - ASP 145 HN [ 0.00 5.50] 0.02 0.00 0.00 0.00 0.00 0.00 0.00 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 - 2 [ 0.02 .. 0.17]
342-> PRO 144 HD2 - ASP 145 HN [ 0.00 5.50] 0.00 0.05 0.00 0.06 0.14 0.00 0.00 0.11 0.00 0.00 0.10 0.07 0.00 0.00 0.16 0.00 0.00 0.08 0.00 0.08 - 9 [ 0.05 .. 0.16]
343-> PRO 144 HD3 - ASP 145 HN [ 0.00 5.50] 0.15 0.03 0.00 0.05 0.03 0.00 0.20 0.06 0.06 0.00 0.00 0.00 0.12 0.00 0.02 0.00 0.00 0.05 0.12 0.00 - 13 [ 0.00 .. 0.20]
411-> ALA 140 HN - THR 142 HG2* [ 0.00 6.52] 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.03 .. 0.11]
421-> PHE 7 HN - PHE 7 HB3 [ 0.00 3.95] 0.00 0.19 0.15 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 - 4 [ 0.06 .. 0.19]
430-> VAL 112 HN - VAL 112 HB [ 0.00 3.42] 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 0.20 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
448-> VAL 81 HB - GLU 82 HN [ 0.00 3.52] 0.09 0.12 0.08 0.09 0.08 0.08 0.07 0.10 0.02 0.10 0.08 0.11 0.09 0.10 0.11 0.09 0.11 0.02 0.11 0.08 - 20 [ 0.02 .. 0.12]
460-> PRO 144 HB3 - ASP 145 HN [ 0.00 4.20] 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.07 .. 0.10]
462-> GLN 25 HA - THR 26 HB [ 0.00 5.50] 0.00 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 0.02 0.16 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.16]
512-> LYS 51 HA - LYS 51 HE3 [ 0.00 5.16] 0.00 0.00 0.03 0.13 0.14 0.05 0.06 0.00 0.04 0.00 0.00 0.13 0.04 0.13 0.00 0.00 0.00 0.00 0.00 0.04 - 11 [ 0.00 .. 0.14]
570-> GLU 108 HG2 - ILE 109 HN [ 0.00 5.50] 0.00 0.00 0.00 0.40 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 [ 0.40 .. 0.40]
589-> TYR 102 HA - THR 149 HB [ 0.00 5.50] 0.06 0.05 0.11 0.00 0.10 0.00 0.00 0.00 0.02 0.05 0.00 0.38 0.00 0.01 0.00 0.00 0.08 0.12 0.00 0.00 - 10 [ 0.01 .. 0.38]
595-> PHE 69 HD* - VAL 71 HB [ 0.00 7.63] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 - 3 [ 0.02 .. 0.14]
618-> VAL 120 HA - PHE 125 HB2 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
619-> VAL 120 HA - PHE 125 HB3 [ 0.00 5.50] 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.54 0.00 0.03 0.12 0.00 0.00 0.00 0.00 - 5 [ 0.01 .. 0.54]
621-> ALA 131 HA - LEU 153 HB3 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
622-> ALA 131 HA - LEU 153 HB2 [ 0.00 5.50] 0.00 0.05 0.00 0.00 0.00 0.00 0.07 0.00 0.05 0.00 0.09 0.00 0.18 0.00 0.12 0.00 0.10 0.00 0.00 0.00 - 7 [ 0.05 .. 0.18]
792-> SER 100 HB2 - VAL 112 HG2* [ 0.00 6.52] 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 0.14 0.00 0.00 - 1 [ 0.14 .. 0.14]
837-> LEU 31 HD2* - PHE 35 HZ [ 0.00 6.52] 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 0.02 0.11 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.11]
876-> VAL 120 HG2* - LEU 127 HN [ 0.00 6.52] 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.05 0.00 0.04 0.00 0.00 0.14 - 5 [ 0.03 .. 0.25]
916-> LEU 45 HD1* - GLY 83 HA3 [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
1088-> ARG 60 HA - GLU 133 HG* [ 0.00 6.38] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.20 .. 0.49]
1089-> TYR 61 HA - GLU 70 HG* [ 0.00 6.38] 0.00 0.04 0.00 0.23 0.00 0.00 0.00 0.14 0.10 0.00 0.07 0.08 0.00 0.00 0.07 0.00 0.00 0.52 0.00 0.00 - 8 [ 0.04 .. 0.52]
1091-> MET 64 HG* - MET 154 HN [ 0.00 6.38] 0.33 0.00 0.00 0.00 0.55 0.00 0.04 0.06 0.47 0.00 0.00 0.07 0.00 0.02 0.04 0.00 0.00 0.04 0.00 0.00 - 9 [ 0.02 .. 0.55]
1161-> LEU 153 HB* - LEU 155 HD2* [ 0.00 6.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
1162-> MET 154 HB* - LEU 159 HN [ 0.00 6.38] 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 0.11 0.00 0.00 0.25 0.10 0.00 0.00 - 4 [ 0.08 .. 0.25]
1173-> THR 24 HN - VAL 71 O [ 0.00 2.00] 0.03 0.06 0.04 0.00 0.08 0.08 0.06 0.00 0.10 0.03 0.00 0.07 0.00 0.04 0.00 0.10 0.00 0.07 0.09 0.06 - 14 [ 0.03 .. 0.10]
1179-> PHE 58 HN - GLY 74 O [ 0.00 2.00] 0.08 0.06 0.00 0.10 0.04 0.00 0.12 0.02 0.10 0.00 0.08 0.02 0.32 0.02 0.00 0.00 0.06 0.06 0.12 0.03 - 15 [ 0.02 .. 0.32]
1180-> PHE 58 N - GLY 74 O [ 0.00 3.00] 0.00 0.00 0.00 0.07 0.00 0.00 0.09 0.00 0.07 0.00 0.01 0.00 0.31 0.00 0.00 0.00 0.00 0.03 0.06 0.00 - 8 [ 0.00 .. 0.31]
1183-> ARG 60 HN - GLU 72 O [ 0.00 2.00] 0.09 0.03 0.27 0.06 0.10 0.08 0.00 0.00 0.00 0.00 0.10 0.00 0.03 0.00 0.00 0.06 0.05 0.01 0.07 0.01 - 13 [ 0.01 .. 0.27]
1184-> ARG 60 N - GLU 72 O [ 0.00 3.00] 0.05 0.00 0.25 0.04 0.06 0.06 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.03 0.00 - 8 [ 0.03 .. 0.25]
1187-> PHE 62 O - GLU 70 HN [ 0.00 2.00] 0.07 0.10 0.10 0.08 0.00 0.00 0.06 0.05 0.05 0.00 0.09 0.01 0.09 0.04 0.00 0.07 0.10 0.06 0.00 0.10 - 15 [ 0.01 .. 0.10]
1195-> ALA 19 O - GLY 90 HN [ 0.00 2.00] 0.00 0.00 0.07 0.05 0.09 0.06 0.02 0.07 0.03 0.01 0.03 0.03 0.08 0.00 0.06 0.08 0.10 0.10 0.08 0.06 - 18 [ 0.00 .. 0.10]
1201-> TYR 61 O - ALA 131 HN [ 0.00 2.00] 0.08 0.10 0.00 0.09 0.02 0.02 0.01 0.00 0.10 0.00 0.19 0.00 0.16 0.01 0.04 0.00 0.01 0.06 0.10 0.16 - 15 [ 0.01 .. 0.19]
1202-> TYR 61 O - ALA 131 N [ 0.00 3.00] 0.05 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.15 0.00 0.13 0.00 0.02 0.00 0.00 0.05 0.01 0.03 - 9 [ 0.01 .. 0.15]
1203-> TYR 132 HN - SER 152 O [ 0.00 2.00] 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.08 0.00 0.32 - 6 [ 0.01 .. 0.32]
1207-> PRO 57 O - TYR 135 HN [ 0.00 2.00] 0.01 0.00 0.00 0.00 0.00 0.10 0.02 0.00 0.00 0.03 0.01 0.12 0.03 0.09 0.03 0.07 0.05 0.05 0.01 0.05 - 14 [ 0.01 .. 0.12]
1209-> ALA 98 O - LEU 153 HN [ 0.00 2.00] 0.06 0.01 0.08 0.13 0.00 0.04 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.10 0.04 0.00 0.00 0.10 0.06 - 10 [ 0.01 .. 0.14]
-------------------------------------------
Number of Violations greater than 0.10 9 9 10 12 12 5 8 8 13 9 13 11 20 12 15 16 11 10 17 9
-------------------------------------------
---- 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 6 7 9 7 5 2 6 9 5 9 8 11 9 12 10 6 6 10 7 7.50
0.2 - 0.5 ang: 3 3 3 2 4 0 6 2 4 4 4 3 7 3 2 6 5 3 7 2 3.65
> 0.5 ang: 0 0 0 1 1 0 0 0 0 0 0 0 2 0 1 0 0 1 0 0 0.30
Total : 37 38 42 38 34 30 41 46 47 30 46 39 47 46 39 43 34 51 44 48 41.00
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 : 0.498 0.386 0.450 0.710 0.548 0.177 0.499 0.364 0.471 0.489 0.312 0.383 0.652 0.267 0.518 0.379 0.369 0.524 0.417 0.430 0.710
Max Intra Viol : 0.242 0.373 0.450 0.192 0.342 0.159 0.251 0.364 0.265 0.457 0.238 0.271 0.234 0.267 0.239 0.377 0.147 0.258 0.384 0.169 0.457
Max Seque Viol : 0.498 0.119 0.103 0.403 0.179 0.177 0.383 0.109 0.174 0.449 0.312 0.260 0.351 0.133 0.518 0.379 0.369 0.131 0.328 0.137 0.518
Max Medium Viol : 0.110 0.386 0.047 0.710 0.116 0.106 0.499 0.153 0.069 0.108 0.289 0.128 0.255 0.255 0.187 0.037 0.063 0.428 0.417 0.430 0.710
Max Long Viol : 0.327 0.246 0.267 0.229 0.548 0.097 0.123 0.142 0.471 0.489 0.264 0.383 0.652 0.195 0.117 0.124 0.248 0.524 0.117 0.322 0.652
Average Violation : 0.003 0.002 0.002 0.003 0.003 0.001 0.003 0.003 0.003 0.003 0.003 0.003 0.005 0.003 0.003 0.004 0.002 0.004 0.004 0.003 0.00296
Avge Intra Viol : 0.003 0.004 0.004 0.003 0.006 0.002 0.003 0.005 0.004 0.004 0.003 0.004 0.004 0.004 0.004 0.007 0.001 0.003 0.006 0.002 0.00376
Avge Seque Viol : 0.001 0.001 0.000 0.002 0.000 0.000 0.002 0.001 0.000 0.000 0.001 0.001 0.001 0.001 0.001 0.000 0.000 0.002 0.001 0.002 0.00097
Avge Mediu Viol : 0.010 0.005 0.005 0.011 0.005 0.004 0.011 0.004 0.007 0.011 0.009 0.008 0.011 0.006 0.010 0.016 0.013 0.005 0.015 0.006 0.00862
Avge Long Viol : 0.002 0.002 0.003 0.003 0.003 0.002 0.002 0.002 0.005 0.002 0.003 0.003 0.008 0.002 0.002 0.002 0.002 0.006 0.002 0.003 0.00293
RMS Violation : 0.023 0.021 0.020 0.028 0.026 0.012 0.025 0.018 0.024 0.027 0.022 0.021 0.036 0.018 0.023 0.027 0.022 0.026 0.028 0.021 0.02391
RMS Intra : 0.021 0.029 0.032 0.020 0.038 0.013 0.023 0.033 0.027 0.033 0.021 0.026 0.023 0.026 0.025 0.038 0.013 0.023 0.036 0.017 0.02692
RMS Sequential : 0.008 0.019 0.004 0.035 0.006 0.006 0.025 0.009 0.004 0.006 0.016 0.007 0.013 0.013 0.014 0.002 0.005 0.023 0.021 0.022 0.01558
RMS Medium range : 0.054 0.019 0.019 0.047 0.024 0.023 0.051 0.016 0.029 0.055 0.038 0.034 0.047 0.024 0.055 0.063 0.060 0.019 0.058 0.023 0.04119
RMS Long range : 0.019 0.015 0.020 0.017 0.029 0.010 0.011 0.012 0.032 0.025 0.020 0.022 0.052 0.014 0.010 0.012 0.016 0.032 0.013 0.021 0.02242
Final --global-- Summary for 20 models, 1210 NOEs/model, 24200 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 71.736
Summ sq. viol : 13.832
Maximum viol : 0.710
Average viol : 0.00296
RMSD viol : 0.02391
Std. Dev. viol : 0.02372
RMS Intra : 0.02692
RMS Seque : 0.01558
RMS Medi : 0.04119
RMS Long : 0.02242
table of dihedral angle constraints violations
1-> [VAL A 8] PHI -121.0 -45.0 0.0 0.0 0.0 5.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 5.2]
18-> [LEU A 20] PSI 123.0 -179.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.1 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 5.1]
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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.8 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.8]
51-> [LYS A 51] PHI -157.0 -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 13.2 0.0 0.0 - 1 [ 0.0 .. 13.2]
56-> [PHE A 58] PSI 119.0 -179.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 4.1 0.0 0.0 0.0 4.9 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 4.9]
57-> [ALA A 59] PHI -165.0 -95.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3]
62-> [TYR A 61] PSI 109.0 165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 - 1 [ 0.0 .. 2.0]
63-> [PHE A 62] PHI -119.0 -57.0 0.0 0.9 0.0 0.0 0.0 12.3 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 0.0 - 3 [ 0.0 .. 12.3]
67-> [PHE A 69] PHI -177.0 -81.0 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 8.1 0.0 0.0 - 1 [ 0.0 .. 8.1]
74-> [PHE A 73] PSI -57.0 -5.0 0.0 10.9 0.0 0.0 0.0 0.0 14.5 12.4 3.2 0.0 0.0 0.0 14.6 3.9 13.0 0.0 12.2 8.1 0.0 12.1 - 10 [ 0.0 .. 14.6]
75-> [PHE A 75] PHI -161.0 -99.0 0.0 0.0 0.0 0.0 0.0 0.7 0.0 0.0 2.9 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 5.0]
85-> [THR A 92] PHI -175.0 -81.0 9.4 0.0 0.0 0.0 0.3 0.0 2.6 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 - 4 [ 0.0 .. 9.4]
91-> [ALA A 98] PHI -167.0 -79.0 0.0 0.0 0.0 9.5 0.0 4.5 0.0 0.0 0.0 0.0 0.0 0.0 13.5 0.0 1.2 11.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 13.5]
93-> [SER A 99] PHI -143.0 -81.0 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 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.2]
103-> [TYR A 106] PHI -167.0 -97.0 0.0 0.0 0.0 3.3 3.0 3.8 0.0 0.0 9.4 0.0 0.3 0.0 16.0 0.0 8.5 12.0 11.4 0.0 27.8 4.6 - 11 [ 0.0 .. 27.8]
104-> [TYR A 106] PSI 135.0 175.0 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 4.5 0.0 - 1 [ 0.0 .. 4.5]
137-> [PHE A 125] PHI -177.0 -87.0 0.0 0.0 4.8 0.0 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 0.0 - 2 [ 0.0 .. 4.8]
141-> [LEU A 127] PHI -145.0 -45.0 0.0 0.0 0.0 7.1 0.0 0.0 8.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.8 0.0 5.9 0.0 - 4 [ 0.0 .. 8.6]
143-> [GLU A 130] PHI -153.0 -81.0 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 6.8 - 1 [ 0.0 .. 6.8]
144-> [GLU A 130] PSI 103.0 169.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 5.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 - 3 [ 0.0 .. 5.2]
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 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 - 1 [ 0.0 .. 2.0]
147-> [TYR A 132] PHI -143.0 -91.0 0.0 2.4 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 2.4 - 2 [ 0.0 .. 2.4]
148-> [TYR A 132] PSI 113.0 149.0 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 1.1 - 1 [ 0.0 .. 1.1]
153-> [ARG A 148] PHI -157.0 -79.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 19.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 19.3]
172-> [ASP A 2] PSI -85.0 -155.0 21.0 0.0 0.0 0.0 18.3 0.0 0.0 0.0 0.0 0.0 0.1 15.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.9 - 5 [ 0.0 .. 21.0]
173-> [PHE A 3] PHI 45.0 -45.0 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 0.0 0.0 0.0 - 1 [ 0.0 .. 3.1]
185-> [GLU A 4] PSI -85.0 -165.0 0.0 0.0 0.0 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 0.0 - 1 [ 0.0 .. 6.0]
202-> [PHE A 7] CHI2 25.0 -25.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.7]
230-> [ALA A 15] PSI 145.0 85.0 0.0 10.7 0.0 0.0 0.0 1.9 0.0 1.6 3.8 0.0 3.2 0.0 0.0 0.0 0.0 0.7 1.5 0.0 0.0 0.0 - 8 [ 0.0 .. 10.7]
238-> [VAL A 17] PSI 145.0 85.0 11.8 18.7 15.1 17.0 12.9 21.7 12.8 11.6 14.3 16.2 19.1 17.0 18.1 14.6 19.9 17.5 20.0 17.1 24.5 0.0 - 19 [ 0.0 .. 24.5]
268-> [MET A 28] PSI -85.0 -165.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0 20.0 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 .. 20.0]
290-> [PHE A 35] CHI2 25.0 -25.0 0.0 15.7 0.0 0.0 13.0 3.9 0.0 14.6 14.4 0.0 11.6 18.1 0.0 0.0 0.0 9.0 0.0 12.1 19.7 0.0 - 10 [ 0.0 .. 19.7]
291-> [PHE A 35] CHI2 -155.0 155.0 0.0 0.0 6.1 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 [ 0.0 .. 6.1]
298-> [TYR A 39] CHI2 25.0 -25.0 0.0 0.0 6.2 0.0 19.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 7.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 19.0]
335-> [LEU A 46] CHI1 -175.0 -5.0 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 0.0 0.0 0.0 - 1 [ 0.0 .. 2.1]
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 8.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.6 0.0 0.0 - 2 [ 0.0 .. 8.9]
363-> [GLY A 55] PSI -95.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.2]
391-> [SER A 65] PSI -85.0 -155.0 0.0 0.0 0.0 31.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 31.0]
393-> [ALA A 66] PHI 175.0 75.0 0.0 5.9 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 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.9]
401-> [PHE A 69] CHI2 25.0 -25.0 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 4.1 0.0 0.0 0.0 - 1 [ 0.0 .. 4.1]
406-> [VAL A 71] CHI1 -175.0 -45.0 0.6 3.6 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 0.0 0.0 - 2 [ 0.0 .. 3.6]
416-> [PHE A 73] CHI2 25.0 -25.0 0.0 0.0 0.0 12.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 14.9]
421-> [PHE A 75] CHI2 25.0 -35.0 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 13.6 0.0 - 1 [ 0.0 .. 13.6]
476-> [THR A 92] PSI 145.0 85.0 0.0 0.0 0.0 0.0 0.0 17.1 0.0 0.0 0.0 0.0 16.6 0.0 0.0 0.0 0.0 6.5 0.0 0.0 0.0 15.9 - 4 [ 0.0 .. 17.1]
502-> [GLY A 104] PSI -95.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.8 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 .. 12.8]
504-> [PRO A 105] PSI -55.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 15.6 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 - 1 [ 0.0 .. 15.6]
507-> [TYR A 106] CHI2 25.0 -25.0 0.0 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 3.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.5]
511-> [GLU A 108] 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 6.9 0.0 0.0 - 1 [ 0.0 .. 6.9]
528-> [TYR A 113] CHI2 25.0 -25.0 3.0 0.0 0.0 0.0 0.0 0.0 18.4 0.0 0.0 0.0 0.0 0.0 18.2 0.0 0.0 0.0 11.7 7.1 12.0 0.0 - 6 [ 0.0 .. 18.4]
546-> [VAL A 120] CHI1 165.0 65.0 0.0 0.0 13.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.9 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 13.2]
556-> [PHE A 125] CHI2 25.0 -35.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 15.7]
587-> [TYR A 135] CHI2 25.0 -25.0 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 8.8 0.0 4.9 0.0 0.0 0.0 - 2 [ 0.0 .. 8.8]
590-> [LEU A 136] 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 0.0 2.4 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.4]
596-> [LEU A 136] PSI -85.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32.7 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 .. 32.7]
606-> [ASN A 138] PSI 145.0 85.0 4.3 11.4 0.0 0.0 5.0 0.7 5.4 20.2 3.7 9.3 0.0 0.0 0.0 2.4 0.0 0.1 0.0 0.0 5.0 17.0 - 13 [ 0.0 .. 20.2]
607-> [PRO A 139] PSI 155.0 -165.0 3.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 3.2 0.0 0.0 - 3 [ 0.0 .. 3.3]
609-> [ALA A 140] PHI 175.0 75.0 0.0 0.0 10.0 10.0 0.0 10.2 10.0 10.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 9.9 10.1 0.0 10.0 - 9 [ 0.0 .. 10.2]
616-> [GLU A 141] PSI -85.0 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 0.0 10.1 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.1]
619-> [THR A 142] CHI1 155.0 35.0 0.0 21.2 22.8 0.0 0.0 0.0 0.0 24.7 0.0 21.7 0.0 0.0 0.0 0.0 0.0 26.1 0.0 0.0 25.2 0.0 - 6 [ 0.0 .. 26.1]
622-> [ALA A 143] 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 5.4 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.4]
623-> [ALA A 143] PHI 175.0 75.0 0.0 10.1 2.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.7 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 10.1]
625-> [ALA A 143] PSI 145.0 85.0 0.0 0.5 9.6 0.0 0.0 0.0 0.0 0.6 0.0 5.3 0.0 0.0 26.1 0.0 0.0 0.0 4.1 2.6 0.0 0.0 - 7 [ 0.0 .. 26.1]
626-> [PRO A 144] PSI 125.0 -15.0 0.0 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 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3]
629-> [ASP A 145] PHI 175.0 75.0 4.7 0.0 0.0 0.0 4.9 0.0 5.1 0.0 0.1 0.0 1.9 8.2 0.1 0.0 3.1 3.3 0.0 2.1 5.0 0.0 - 11 [ 0.0 .. 8.2]
670-> [LEU A 155] CHI2 35.0 -35.0 0.0 0.0 0.0 0.0 0.0 0.0 2.9 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 - 2 [ 0.0 .. 2.9]
672-> [LEU A 155] PSI 75.0 45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 - 2 [ 0.0 .. 4.5]
675-> [HIS A 156] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 7.5 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 - 4 [ 0.0 .. 7.5]
680-> [GLU A 157] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 1.8 - 3 [ 0.0 .. 10.0]
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 6.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 6.5]
---- 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 : 5 3 6 8 4 5 8 2 9 3 6 5 5 2 6 7 7 10 5 7 5.65
> 10. degrees : 2 7 3 3 4 4 4 8 3 3 4 3 7 2 3 6 4 4 6 4 4.20
Total : 10 14 10 14 11 14 13 15 13 10 12 9 15 5 9 16 11 17 13 12 12.15
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 : 21.0 21.2 22.8 31.0 19.0 21.7 18.4 32.7 20.0 21.7 19.1 18.1 26.1 14.6 19.9 30.0 20.0 17.1 27.8 17.0 32.70
Max PHI Viol : 9.4 10.1 10.0 10.0 4.9 12.3 10.0 10.0 9.4 19.3 5.0 8.2 16.0 10.0 10.0 12.0 11.4 13.2 27.8 10.0 27.83
Max PSI Viol : 21.0 18.7 15.1 31.0 18.3 21.7 15.6 32.7 20.0 16.2 19.1 17.0 26.1 14.6 19.9 30.0 20.0 17.1 24.5 17.0 32.70
Max CHI1 Viol : 0.6 21.2 22.8 0.0 0.0 0.7 2.1 24.7 0.0 21.7 0.0 0.0 0.0 0.0 10.9 26.1 0.0 0.0 25.2 0.0 26.13
Max CHI2 Viol : 3.0 15.7 6.2 12.4 19.0 3.9 18.4 14.6 14.4 0.0 15.7 18.1 18.2 0.0 8.8 9.0 11.7 12.1 19.7 0.0 19.74
Average Violation : 0.1 0.2 0.1 0.2 0.1 0.1 0.1 0.2 0.1 0.1 0.1 0.1 0.2 0.0 0.1 0.2 0.1 0.1 0.2 0.1 0.140
Avge PHI Viol : 0.270 0.316 0.300 0.433 0.207 0.448 0.389 0.238 0.253 0.366 0.192 0.222 0.422 0.227 0.381 0.449 0.374 0.468 0.447 0.363 0.350
Avge PSI Viol : 0.486 0.552 0.380 0.617 0.463 0.498 0.532 0.773 0.591 0.424 0.537 0.474 0.601 0.350 0.438 0.639 0.486 0.487 0.453 0.554 0.525
Avge CHI1 Viol : 0.055 0.345 0.415 0.000 0.000 0.058 0.100 0.344 0.000 0.322 0.000 0.000 0.000 0.000 0.228 0.354 0.000 0.000 0.347 0.000 0.203
Avge CHI2 Viol : 0.170 0.390 0.346 0.347 0.582 0.195 0.454 0.377 0.388 0.000 0.548 0.458 0.640 0.000 0.292 0.296 0.449 0.432 0.664 0.000 0.401
RMS Violation : 1.031 1.507 1.331 1.629 1.266 1.283 1.330 2.074 1.235 1.356 1.281 1.172 1.828 0.699 1.188 1.898 1.214 1.224 2.031 1.139 1.426
RMS PHI Viol : 0.756 0.856 0.817 1.200 0.414 1.337 1.056 0.719 0.705 1.463 0.381 0.598 1.524 0.719 1.047 1.315 1.162 1.429 2.073 0.953 1.105
RMS PSI Viol : 1.890 2.039 1.370 2.849 1.759 2.119 1.947 3.447 2.084 1.483 2.029 1.770 2.682 1.173 1.814 2.834 1.830 1.597 1.947 2.045 2.104
RMS CHI1 Viol : 0.043 1.488 1.819 0.000 0.000 0.048 0.143 1.709 0.000 1.503 0.000 0.000 0.000 0.000 0.752 1.808 0.000 0.000 1.741 0.000 0.938
RMS CHI2 Viol : 0.294 1.543 0.858 1.224 2.287 0.386 1.832 1.439 1.423 0.000 1.959 1.813 2.442 0.000 0.864 0.890 1.316 1.383 2.643 0.000 1.463
Final --global-- Summary for 20 models, 687 ACOs/model, 13740 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 1924.19
Summ. Sq. Viol. : 27959.23
Max. Viol. : 32.695
Avg. Viol. : 0.14004
RMS Viol. : 1.42649
Std. Dev. Viol. : 1.41960
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 0.588 0.509 0.864 0.422
ASP A 2 0.300 0.234 0.564 0.911
PHE A 3 0.571 0.517 0.495 0.907
GLU A 4 0.300 0.503 0.659 0.805 0.936
CYS A 5 0.507 0.527 0.495
GLN A 6 0.537 0.817 0.751 0.792 0.890
PHE A 7 0.543 0.771 0.693 0.912
VAL A 8 0.953 0.993 1.000 8 8
CYS A 9 0.995 0.993 0.796 9 9
GLU A 10 0.991 0.991 0.768 0.999 0.911 10 10
LEU A 11 0.993 0.998 0.997 0.999 11 11
LYS A 12 0.993 0.994 0.866 0.604 0.998 0.869 12 12
GLU A 13 0.999 0.996 0.604 1.000 0.999 13 13
LEU A 14 0.981 0.985 0.536 0.597 14 14
ALA A 15 0.984 0.996 15 15
PRO A 16 0.995 0.977 0.954 0.917 16 16
VAL A 17 0.990 0.990 0.926 17 17
PRO A 18 0.994 0.985 0.924 0.853 18 18
ALA A 19 0.996 0.998 19 19
LEU A 20 0.990 0.993 0.501 0.651 20 20
LEU A 21 0.987 0.994 0.690 0.899 21 21
ILE A 22 0.980 0.994 0.521 0.928 22 22
ARG A 23 0.995 0.995 0.764 0.996 0.502 0.827 1.000 23 23
THR A 24 0.993 0.985 0.399 24 24
GLN A 25 0.985 0.988 0.586 0.999 0.887 25 25
THR A 26 0.927 0.936 0.377 26 26
ALA A 27 0.903 0.995 27 27
MET A 28 0.534 0.284 0.592 0.864 0.566
SER A 29 0.185 0.899 0.383
GLU A 30 0.934 0.922 0.837 0.993 0.905 30 30
LEU A 31 0.999 0.993 0.722 0.491 31 31
GLY A 32 0.987 0.991 32 32
SER A 33 1.000 1.000 1.000 33 33
LEU A 34 1.000 0.996 0.582 0.576 34 34
PHE A 35 0.998 0.995 0.786 0.504 35 35
GLU A 36 0.999 0.999 0.606 0.999 1.000 36 36
ALA A 37 0.998 0.996 37 37
GLY A 38 1.000 0.999 38 38
TYR A 39 0.999 0.996 0.685 0.818 39 39
HIS A 40 1.000 1.000 0.932 0.949 40 40
ASP A 41 0.927 0.514 0.691 0.957
ILE A 42 0.644 0.560 0.110 0.794
LEU A 43 0.648 0.845 0.700 0.631
GLN A 44 0.993 0.978 0.999 0.999 0.995 44 44
LEU A 45 0.993 0.985 0.451 0.615 45 45
LEU A 46 0.958 0.992 0.823 0.819 46 46
ALA A 47 0.997 0.997 47 47
GLY A 48 0.990 0.987 48 48
GLN A 49 0.989 0.994 0.916 0.737 0.757 49 49
GLY A 50 0.996 0.989 50 50
LYS A 51 0.974 0.998 0.904 0.603 0.950 0.929 51 51
SER A 52 0.969 0.969 0.811 52 52
PRO A 53 0.994 0.990 0.902 0.823 53 53
SER A 54 0.969 0.984 0.918 54 54
GLY A 55 0.980 0.986 55 55
PRO A 56 0.998 0.999 0.984 0.969 56 56
PRO A 57 0.989 0.988 0.919 0.840 57 57
PHE A 58 0.989 0.933 0.497 0.787 58 58
ALA A 59 0.959 0.998 59 59
ARG A 60 0.988 0.992 0.395 0.982 0.433 0.678 1.000 60 60
TYR A 61 0.984 0.972 0.577 0.893 61 61
PHE A 62 0.988 0.966 0.467 0.994 62 62
GLY A 63 0.546 0.479
MET A 64 0.587 0.598 0.868 0.633 0.401
SER A 65 0.773 0.196 0.254
ALA A 66 0.595 0.238
GLY A 67 0.194 0.887
THR A 68 0.962 0.980 0.583 68 68
PHE A 69 0.900 0.963 0.462 0.927 69 69
GLU A 70 0.982 0.979 0.580 0.992 0.770 70 70
VAL A 71 0.998 0.995 0.790 71 71
GLU A 72 0.988 0.963 0.665 0.944 0.835 72 72
PHE A 73 0.997 0.904 0.344 0.889 73 73
GLY A 74 0.671 0.761
PHE A 75 0.929 0.997 0.525 0.927 75 75
PRO A 76 0.994 0.989 0.921 0.836 76 76
VAL A 77 0.999 0.995 1.000 77 77
GLU A 78 0.962 0.977 0.391 0.994 0.754 78 78
GLY A 79 0.842 0.149
GLY A 80 0.217 0.967
VAL A 81 0.987 1.000 1.000 81 81
GLU A 82 0.986 0.993 1.000 1.000 1.000 82 82
GLY A 83 0.947 0.946 83 83
SER A 84 0.896 0.493 0.627
GLY A 85 0.847 0.572
ARG A 86 0.673 0.952 0.911 0.997 0.795 0.886 1.000
VAL A 87 0.948 0.990 0.864 87 87
VAL A 88 0.997 0.997 1.000 88 88
THR A 89 0.973 0.999 0.797 89 89
GLY A 90 0.972 0.985 90 90
LEU A 91 0.990 0.989 0.897 0.742 91 91
THR A 92 0.979 0.968 0.783 92 92
PRO A 93 0.990 0.995 0.908 0.826 93 93
SER A 94 0.957 0.987 0.700 94 94
GLY A 95 0.858 0.945 95
LYS A 96 0.961 0.990 0.878 0.891 0.999 0.930 96 96
ALA A 97 0.997 0.998 97 97
ALA A 98 0.983 0.993 98 98
SER A 99 0.994 0.997 0.365 99 99
SER A 100 0.990 0.986 0.998 100 100
LEU A 101 0.993 0.990 0.676 0.656 101 101
TYR A 102 0.961 0.983 0.751 0.883 102 102
ILE A 103 0.998 0.998 1.000 0.882 103 103
GLY A 104 0.956 0.979 104 104
PRO A 105 0.994 0.888 0.942 0.893 105
TYR A 106 0.963 0.992 0.691 0.763 106 106
GLY A 107 0.856 0.740
GLU A 108 0.865 0.850 0.728 0.944 0.923 108
ILE A 109 1.000 0.998 0.948 0.644 109 109
GLU A 110 0.999 0.998 0.999 0.808 0.975 110 110
ALA A 111 0.999 0.996 111 111
VAL A 112 0.998 0.998 0.613 112 112
TYR A 113 1.000 0.997 0.616 0.721 113 113
ASP A 114 1.000 0.999 0.784 0.847 114 114
ALA A 115 0.999 0.999 115 115
LEU A 116 1.000 0.999 0.829 0.805 116 116
MET A 117 1.000 0.999 0.627 0.750 0.206 117 117
LYS A 118 1.000 0.999 0.611 0.870 0.947 0.729 118 118
TRP A 119 1.000 1.000 0.996 0.997 119 119
VAL A 120 1.000 0.999 0.901 120 120
ASP A 121 1.000 0.999 0.790 0.872 121 121
ASP A 122 1.000 0.998 1.000 1.000 122 122
ASN A 123 0.999 0.991 0.997 0.816 123 123
GLY A 124 0.999 0.981 124 124
PHE A 125 0.953 0.999 0.917 0.808 125 125
ASP A 126 0.917 0.976 0.697 0.882 126 126
LEU A 127 0.808 0.988 0.599 0.599 127
SER A 128 0.908 0.752 0.311
GLY A 129 0.203 0.348
GLU A 130 0.947 0.959 0.296 0.864 0.807 130 130
ALA A 131 0.961 0.995 131 131
TYR A 132 0.990 0.990 0.249 0.985 132 132
GLU A 133 0.992 0.994 0.528 0.996 0.903 133 133
ILE A 134 0.984 0.993 0.788 0.959 134 134
TYR A 135 0.959 0.820 0.927 0.380 135
LEU A 136 0.814 0.037 0.697 0.684
ASP A 137 0.346 0.916 0.586 0.934
ASN A 138 0.875 0.936 0.813 0.910 138
PRO A 139 0.990 0.991 0.905 0.827 139 139
ALA A 140 0.887 0.850 140
GLU A 141 0.842 0.929 0.999 0.921 0.984 141
THR A 142 0.919 0.118 0.115
ALA A 143 0.244 0.889
PRO A 144 0.989 0.479 0.918 0.858
ASP A 145 0.529 0.930 0.857 0.939
GLN A 146 0.963 0.958 0.999 0.686 0.879 146 146
LEU A 147 0.950 0.903 0.628 0.738 147 147
ARG A 148 0.951 0.990 0.860 0.938 0.609 0.892 1.000 148 148
THR A 149 0.994 0.992 0.998 149 149
ARG A 150 0.987 0.997 0.928 0.999 0.476 0.720 1.000 150 150
VAL A 151 0.998 0.998 0.849 151 151
SER A 152 0.991 0.987 0.517 152 152
LEU A 153 0.990 0.981 0.869 0.876 153 153
MET A 154 0.973 0.650 0.476 0.674 0.094
LEU A 155 0.684 0.218 0.547 0.594
HIS A 156 0.255 0.219 0.793 0.414
GLU A 157 0.019 0.178 0.486 0.851 0.937
SER A 158 0.445 0.493 0.361
LEU A 159 0.527 0.245 0.713 0.720
GLU A 160 0.530 0.749 0.526 0.394 0.782
HIS A 161 0.602 0.417 0.551 0.385
HIS A 162 0.540 0.442 0.581 0.809
HIS A 163 0.547 0.580 0.448 0.166
HIS A 164 0.396 0.655 0.410 0.200
HIS A 165 0.765 0.529 0.406 0.624
HIS A 166 0.866 0.547 0.464
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_R3Cons_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 1 is: 1.597
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 2 is: 0.962 (*)
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 3 is: 1.266
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 4 is: 1.128
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 5 is: 1.263
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 6 is: 1.442
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 7 is: 1.187
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 8 is: 1.089
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 9 is: 1.271
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 10 is: 1.410
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 11 is: 1.106
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 12 is: 1.616
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 13 is: 2.289
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 14 is: 1.208
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 15 is: 1.443
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 16 is: 1.299
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 17 is: 1.122
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 18 is: 1.397
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 19 is: 1.074
> Kabsch RMSD of backbone atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 20 is: 1.425
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[8..27],[30..40],[44..62],[68..73],[75..78],[81..83],[87..94],[96..104],[109..126],[130..134],[146..153], is: 1.330
> Range of RMSD values to reference struct. is 0.962 to 2.289
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 1 is: 1.822
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 2 is: 1.408 (*)
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 3 is: 1.661
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 4 is: 1.487
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 5 is: 1.650
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 6 is: 1.755
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 7 is: 1.518
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 8 is: 1.463
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 9 is: 1.740
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 10 is: 1.790
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 11 is: 1.512
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 12 is: 1.882
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 13 is: 2.750
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 14 is: 1.662
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 15 is: 1.757
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 16 is: 1.626
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 17 is: 1.436
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 18 is: 1.853
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 19 is: 1.433
> Kabsch RMSD of heavy atoms in res. A[8..27],A[30..40],A[44..62],A[68..73],A[75..78],A[81..83],A[87..94],A[96..104],A[109..126],A[130..134],A[146..153],for model 20 is: 1.829
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[8..27],[30..40],[44..62],[68..73],[75..78],[81..83],[87..94],[96..104],[109..126],[130..134],[146..153], is: 1.702
> Range of RMSD values to reference struct. is 1.408 to 2.750
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..166],for model 1 is: 3.735
> Kabsch RMSD of backb atoms in res. *[1..166],for model 2 is: 4.109
> Kabsch RMSD of backb atoms in res. *[1..166],for model 3 is: 4.071
> Kabsch RMSD of backb atoms in res. *[1..166],for model 4 is: 3.461
> Kabsch RMSD of backb atoms in res. *[1..166],for model 5 is: 3.448
> Kabsch RMSD of backb atoms in res. *[1..166],for model 6 is: 3.307
> Kabsch RMSD of backb atoms in res. *[1..166],for model 7 is: 3.040
> Kabsch RMSD of backb atoms in res. *[1..166],for model 8 is: 3.058
> Kabsch RMSD of backb atoms in res. *[1..166],for model 9 is: 3.569
> Kabsch RMSD of backb atoms in res. *[1..166],for model 10 is: 4.078
> Kabsch RMSD of backb atoms in res. *[1..166],for model 11 is: 3.602
> Kabsch RMSD of backb atoms in res. *[1..166],for model 12 is: 4.590
> Kabsch RMSD of backb atoms in res. *[1..166],for model 13 is: 4.662
> Kabsch RMSD of backb atoms in res. *[1..166],for model 14 is: 4.399
> Kabsch RMSD of backb atoms in res. *[1..166],for model 15 is: 2.193 (*)
> Kabsch RMSD of backb atoms in res. *[1..166],for model 16 is: 3.920
> Kabsch RMSD of backb atoms in res. *[1..166],for model 17 is: 2.841
> Kabsch RMSD of backb atoms in res. *[1..166],for model 18 is: 5.159
> Kabsch RMSD of backb atoms in res. *[1..166],for model 19 is: 2.718
> Kabsch RMSD of backb atoms in res. *[1..166],for model 20 is: 3.248
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..166], is: 3.660
> Range of RMSD values to reference struct. is 2.193 to 5.159
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 1 is: 4.200
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 2 is: 4.793
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 3 is: 4.813
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 4 is: 4.117
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 5 is: 4.008
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 6 is: 3.787
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 7 is: 3.620
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 8 is: 3.665
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 9 is: 4.203
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 10 is: 4.749
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 11 is: 4.210
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 12 is: 5.234
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 13 is: 5.263
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 14 is: 5.045
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 15 is: 2.791 (*)
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 16 is: 4.524
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 17 is: 3.525
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 18 is: 5.924
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 19 is: 3.326
> Kabsch RMSD of heavy atoms in res. *[1..166],for model 20 is: 3.786
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..166], is: 4.279
> Range of RMSD values to reference struct. is 2.791 to 5.924
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 3.7 1.4 1.5
All heavy atoms 4.3 1.7 1.8
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_R3Cons_em_bcr3_020.rin 0.0 2320 residues |
| |
*| Ramachandran plot: 96.5% core 2.9% allow 0.0% gener 0.6% disall |
| |
+| All Ramachandrans: 20 labelled residues (out of2320) |
+| Chi1-chi2 plots: 3 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 -0.25
9 0.09
10 -0.92
11 -0.21
12 -0.30
13 -0.47
14 -0.19
15 -0.83
16 -1.06
17 0.24
18 -0.76
19 -0.56
20 -0.05
21 -1.28
22 0.07
23 -0.49
24 0.23
25 -0.33
26 -0.41
27 -0.81
31 0.93
32 0.63
33 1.14
34 1.00
35 0.82
36 0.91
37 0.62
38 1.22
39 1.06
40 1.32
44 0.19
45 0.42
46 -0.03
47 0.24
48 -0.17
49 -1.07
50 0.28
51 -0.76
52 -0.14
53 0.08
54 -0.69
55 -0.27
56 -0.10
57 0.12
58 -0.33
59 -1.19
60 -0.46
61 0.05
62 -0.25
68 0.02
69 -0.19
70 -0.60
71 0.05
72 -1.43
73 -0.91
75 -0.02
76 0.11
77 -0.50
78 0.19
81 -0.63
82 -0.65
83 -0.39
87 -0.44
88 -0.22
89 -0.22
90 -0.33
91 -0.90
92 -0.37
93 0.18
94 -0.39
95 -0.98
96 -0.30
97 -0.44
98 -1.11
99 0.09
100 -0.29
101 -0.24
102 0.04
103 0.46
104 -0.92
105 -0.43
106 -0.18
109 -0.42
110 0.84
111 0.86
112 0.66
113 0.99
114 1.29
115 0.89
116 1.09
117 1.04
118 1.15
119 1.20
120 0.99
121 1.31
122 1.10
123 0.03
124 0.01
125 -0.67
126 -1.01
130 -0.77
131 -0.78
132 0.11
133 -0.43
134 0.27
138 -0.63
139 -0.29
140 -2.94
146 -1.16
147 -0.72
148 -0.50
149 0.06
150 -0.61
151 0.43
152 -0.09
153 -0.92
#Reported_Model_Average -0.106
#Overall_Average_Reported -0.106
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 0.24
9 0.48
10 0.04
11 0.12
12 0.21
13 0.26
14 0.24
15 -0.83
16 -1.06
17 0.46
18 -0.76
19 -0.56
20 0.12
21 -1.82
22 0.02
23 0.10
24 0.29
25 0.28
26 -0.31
27 -0.81
31 0.58
32 0.63
33 0.81
34 0.84
35 -0.07
36 0.93
37 0.62
38 1.22
39 0.42
40 0.82
44 0.70
45 0.32
46 0.37
47 0.24
48 -0.17
49 -0.05
50 0.28
51 -0.07
52 0.27
53 0.08
54 -0.03
55 -0.27
56 -0.10
57 0.12
58 -0.21
59 -1.19
60 0.02
61 -0.06
62 0.09
68 0.29
69 -0.13
70 0.14
71 -0.18
72 -0.27
73 -0.61
75 -0.03
76 0.11
77 -0.40
78 0.43
81 -0.74
82 0.31
83 -0.39
87 0.02
88 -0.26
89 -0.01
90 -0.33
91 -0.67
92 -0.07
93 0.18
94 0.02
95 -0.98
96 0.36
97 -0.44
98 -1.11
99 0.05
100 -0.18
101 0.10
102 -0.03
103 0.57
104 -0.92
105 -0.43
106 0.10
109 -0.56
110 0.94
111 0.86
112 0.42
113 0.28
114 0.96
115 0.89
116 0.78
117 0.83
118 1.03
119 0.93
120 0.73
121 1.08
122 1.12
123 -0.06
124 0.01
125 -0.22
126 -0.44
130 -0.07
131 -0.78
132 0.07
133 0.18
134 0.37
138 0.15
139 -0.29
140 -2.94
146 -0.10
147 -0.15
148 0.17
149 0.32
150 0.08
151 0.48
152 0.01
153 -0.19
#Reported_Model_Average 0.045
#Overall_Average_Reported 0.045
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 -0.80 -0.74 -0.80 -0.74 -0.80 -0.74 -0.74 -0.74 -0.80 -0.74 -0.74 -0.74 -0.80 -0.80 -0.80 -0.74 -0.80 -0.74
9 1.29 1.29 1.29 1.29 1.29 -0.35 1.29 1.29 1.29 -0.35 1.29 1.29 1.29 1.29 1.29 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 0.41 0.41
11 0.36 0.36 0.36 0.36 0.36 0.36 1.07 -0.81 0.36 -1.33 -0.81 -1.33 -0.81 -0.81 0.36 -0.81 0.36 -1.33 0.36 0.36
12 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.55 0.55 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 0.41 0.41 -0.37 -0.37 0.41 0.41 0.41 -0.37 0.41 -0.37 0.41 0.41 0.41 -0.37 0.41 0.41
14 -1.33 0.36 0.14 0.14 -1.33 0.36 0.14 0.36 0.36 0.36 0.36 0.14 0.14 0.36 0.14 0.36 0.36 0.14 0.14 0.14
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 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.74
18 -1.01 -1.01 -1.01 -1.01 -0.65 -0.88 -0.65 -1.01 -0.88 -1.01 -0.88 -1.01 -1.01 -1.01 -1.01 -1.01 -0.65 -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 0.14 0.14 0.36 0.14 0.36 0.14 0.36 0.14 0.14 0.14 0.14 0.14 0.36 0.14 0.14 0.14 0.14 0.14 0.36 0.14
22 0.81 -0.54 0.81 0.81 0.81 -0.28 -0.28 -0.54 0.81 -0.54 -0.54 0.81 -0.94 -0.54 -0.54 0.81 0.81 0.81 0.93 0.81
23 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.19 0.84 0.84 0.84 0.19 0.84 0.84 0.19 0.84 0.19 0.19
24 0.95 0.95 0.95 0.95 0.95 0.95 0.79 0.95 0.95 0.95 0.79 0.95 0.79 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 0.10 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 -0.12
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 -0.25 -0.25 0.14 0.14 -0.25 0.14 0.14 0.14 -0.25 0.14 0.14 -0.25 0.14 -0.25 -0.25 0.14 0.14 0.14 0.14
31 0.71 1.30 1.30 -0.30 0.71 1.30 0.71 0.71 -0.30 1.30 1.30 -0.30 -0.30 -0.30 1.30 0.71 1.30 -0.30 0.71 -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 -0.38 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
34 -0.46 0.71 -0.30 0.16 0.16 0.16 -0.30 -0.30 0.16 0.71 -0.30 -0.30 0.71 -0.46 -0.46 -0.30 -0.46 0.16 -0.30 -0.46
35 1.28 1.28 1.28 0.87 0.87 1.28 0.87 0.87 1.28 0.87 1.28 1.28 0.87 -0.22 1.28 1.28 0.87 1.28 1.28 1.28
36 0.62 0.62 0.62 0.62 0.60 0.62 0.60 0.62 0.60 0.62 0.60 0.60 0.60 -0.43 0.62 0.62 0.62 0.60 0.62 0.62
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 0.27 -0.88 0.27 0.86 0.86 0.50 0.50 -0.88 0.50 -0.55 0.27 0.86 -0.88 0.27 0.86 0.50 0.27 0.86 0.86 0.27
40 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 -0.06 0.17 -0.06 0.17 -0.06 0.17 0.17 0.17 0.17 0.17
44 0.29 0.29 0.29 0.62 0.62 0.29 0.29 0.29 0.29 0.29 0.62 0.62 0.62 0.29 0.29 0.29 0.29 0.62 0.29 0.29
45 0.71 0.71 -0.46 0.16 0.16 0.16 0.16 0.16 0.16 0.71 -0.46 0.16 0.16 0.16 0.16 -0.30 0.16 -0.46 -0.30 0.16
46 1.30 1.30 0.71 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 1.30 1.30 1.30 1.30
47 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
48 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
49 0.62 0.16 0.62 0.62 0.62 0.16 0.62 0.62 -0.32 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
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 0.08 0.47 0.47 0.47 0.08 0.08 0.08 0.08 0.47 0.47 0.47 0.47 0.08 0.08 0.08 0.47 -2.12 0.08 0.08
52 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.17 0.34 0.34
53 0.64 0.64 0.64 0.64 0.64 0.64 0.44 0.44 0.64 0.44 0.44 0.64 0.64 0.44 0.44 0.64 0.44 0.64 0.64 0.44
54 0.17 0.17 0.34 0.59 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.34 0.34 0.17 0.17 0.17 0.17
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 0.44 0.64 0.44 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.64 0.64 0.64
57 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.44 0.64 0.64 0.44 0.64 0.64
58 0.96 0.96 0.96 0.96 0.96 1.32 0.96 0.96 1.32 0.96 1.32 0.37 1.32 1.32 1.32 1.32 1.32 1.32 0.96 1.32
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 -0.41 -0.41 -0.41 -1.52 0.84 -0.41 0.84 0.84 0.84 -0.41 0.84 -0.41 0.84 -0.41 0.84 -0.41 -1.52 0.84 -0.41
61 0.17 0.17 1.30 1.30 1.30 0.17 1.30 1.30 1.30 0.17 0.17 1.30 0.17 1.30 1.30 1.30 0.17 1.30 1.30 1.30
62 0.37 0.37 -0.56 -0.56 0.37 -0.56 0.37 0.37 -0.56 0.37 0.37 0.37 0.37 0.37 -0.56 1.32 -0.56 0.37 0.37 -0.56
68 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
69 0.37 0.37 1.32 1.32 0.37 0.96 1.32 -0.56 -0.56 1.32 1.32 -0.56 1.32 -0.56 0.37 1.32 0.37 -0.56 0.37 0.37
70 -0.68 0.41 -0.42 0.41 -0.68 -0.20 0.41 -0.42 0.41 -0.20 -0.68 -0.42 0.41 -0.42 -0.68 -0.42 0.41 -0.42 0.41 0.41
71 0.71 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18
72 -0.20 -0.20 -0.20 -0.42 -0.20 -0.42 -0.42 -0.20 -0.20 -0.42 -0.20 -0.20 -1.59 -0.42 -0.42 -0.42 -0.42 -0.20 -0.42 -0.42
73 1.40 1.40 1.40 1.04 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
75 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 1.32 1.32 1.32 0.96 1.32 0.96 0.96 0.96 0.96 0.96
76 -0.65 -0.86 -0.65 -0.86 -0.01 -0.01 -0.65 -0.86 -0.65 -0.86 -0.65 -0.65 -0.65 -0.86 -0.77 -0.86 -0.86 -0.65 -0.01 -0.65
77 1.00 1.00 0.66 1.00 0.66 -0.09 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
78 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
81 0.66 0.66 -0.09 0.66 0.66 1.00 0.66 0.66 0.66 0.66 0.66 1.00 0.66 0.66 0.66 0.66 1.00 0.66 1.00 1.00
82 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.28 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 0.66 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00 -0.40 1.00 -0.09 -0.09 1.00 0.66 -0.09 1.00
88 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 0.08 0.08 0.08 0.08 0.08 0.08 0.08
89 0.79 0.79 0.95 0.79 0.79 -0.17 0.95 0.95 -0.17 0.79 0.79 0.79 0.95 0.79 0.95 0.95 0.79 0.79 0.95 0.79
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 0.08 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.08
93 0.64 -0.07 0.44 0.44 0.64 0.64 0.44 0.64 0.64 0.64 0.44 0.44 0.44 0.64 0.44 0.44 0.44 0.64 0.44 0.44
94 0.17 0.34 0.17 0.34 0.17 0.34 0.34 0.59 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.17 0.17 0.59 0.17 0.17
95 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
96 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 0.55 0.55 0.55
97 -0.52 0.59 0.59 0.59 0.59 0.59 -0.52 0.59 0.59 0.59 0.59 0.59 -0.52 0.59 0.59 0.59 0.59 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 -1.33 -1.33 -1.33 -0.81 0.14 0.14 -0.81 0.14 0.14 -0.81 -0.81 -0.81 -1.33 -1.33 -1.33 -1.33 -0.81 0.14 -1.33
102 1.30 1.30 1.30 1.30 1.30 1.09 0.17 1.30 1.30 1.30 1.30 1.30 1.09 1.09 1.30 1.30 1.30 1.30 1.30 0.17
103 -0.35 -0.35 -0.35 -0.35 -0.35 0.26 0.26 0.26 -0.35 -0.35 1.07 1.07 0.26 0.26 0.26 0.26 -0.35 0.26 -0.35 1.07
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 0.64 0.44 0.64 0.64 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.64 0.25 0.64 0.44 0.44 0.64
106 1.25 -0.43 1.25 1.14 1.25 1.14 -0.43 1.14 -0.43 1.25 1.14 1.25 1.25 1.25 1.25 -1.40 1.25 1.25 1.25 1.25
109 0.55 -0.06 -0.06 0.55 -0.06 0.55 0.55 -0.59 0.55 1.11 1.11 -0.06 1.11 1.11 -0.06 1.11 0.55 -0.06 0.55 1.11
110 0.62 0.62 0.09 0.62 -0.43 0.62 0.62 0.60 -2.15 0.62 0.60 0.60 0.60 0.60 0.62 0.60 0.09 0.60 0.62 0.62
111 0.76 0.76 -0.02 0.76 0.76 0.76 0.76 0.44 0.76 -0.02 0.44 0.44 0.44 0.44 0.76 -0.02 0.76 0.44 0.76 0.44
112 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
113 0.27 0.27 0.86 0.86 0.86 0.86 0.27 0.27 0.86 0.86 0.50 0.86 0.86 0.86 0.86 0.50 0.50 0.27 0.50 0.27
114 0.29 -0.28 -0.28 -0.80 0.29 -0.28 -0.43 0.29 -0.28 -0.28 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 -0.28
115 0.76 0.76 0.76 0.76 -0.02 0.76 0.76 -0.02 -0.02 0.44 0.76 0.76 0.76 0.76 -0.02 -0.02 0.76 0.76 0.76 0.44
116 1.30 0.71 1.30 0.71 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 0.71 1.30
117 -0.27 0.87 0.87 0.87 0.87 0.87 0.87 1.02 1.02 0.87 -0.27 0.87 -0.27 0.87 1.02 0.87 0.87 0.87 -0.27 0.87
118 0.07 0.66 0.66 0.66 0.07 0.56 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.07 0.66 0.07 0.66 0.66
119 0.86 1.01 0.86 1.01 0.86 1.01 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86
120 0.74 0.74 0.74 0.41 0.74 0.74 0.41 0.74 0.74 0.74 0.41 0.74 0.41 0.74 0.74 0.41 0.41 0.74 0.74 0.41
121 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.29 -0.28
122 0.29 0.29 0.44 0.29 0.44 0.29 0.29 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.29 0.44 0.29 0.44 0.44 0.29
123 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 -0.26 0.51 0.51 -0.26 -0.26 0.51 0.51 -0.26 0.51 0.51 -0.26 0.51 0.51
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 -1.29 0.71 1.04 -1.29 0.71 0.71 0.71 0.71 0.71 0.71 -1.29 0.71 -0.84 -0.84 1.04 -0.84 0.71 -0.84 0.71 -1.29
126 0.51 0.23 0.23 0.51 0.51 0.51 0.23 0.23 0.51 0.23 0.51 0.23 0.34 0.23 0.23 0.51 0.23 0.23 0.51 0.23
130 -1.59 0.41 -0.42 -0.42 -1.59 -0.42 -0.42 -0.68 -0.42 -0.42 -1.59 -1.59 -0.20 -0.20 -0.42 -0.42 -0.42 -0.20 0.41 -0.20
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 0.17 0.17 1.30 1.30 0.17 0.17 1.30 0.17 0.17 0.17 1.30 1.30 1.30 1.30 1.30 0.17 1.30 0.17 0.17 0.17
133 -0.20 -0.42 -0.20 -0.20 -1.59 -0.20 -0.20 -1.59 -0.20 -0.20 -0.42 -0.20 -0.42 -0.20 -0.20 -0.68 -0.20 -0.20 -0.20 0.41
134 1.50 1.07 1.07 1.07 1.07 1.07 1.07 1.07 -0.35 1.50 1.07 0.26 0.26 1.50 1.07 0.26 1.50 0.09 0.09 1.07
138 -0.26 0.51 0.41 0.41 -0.26 0.41 -0.26 0.51 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.51 0.51 0.41 0.41
139 0.64 0.44 0.44 0.64 0.64 0.64 0.64 0.64 0.64 0.44 0.44 0.64 0.64 0.64 0.64 0.44 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 -0.03 0.25 0.25 0.25 0.25 0.25 -0.03 -0.57 -0.03 0.25 0.25 0.25 -0.03 0.25 -0.03 0.25 0.25 0.25
147 0.29 0.29 0.29 0.77 0.77 0.77 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.77 0.77 0.29 0.29 0.77 0.29 0.29
148 0.19 0.84 0.19 0.19 0.84 0.19 0.19 0.19 0.19 0.19 -0.89 0.19 0.19 0.19 0.19 0.84 0.19 0.84 0.19 0.19
149 0.95 0.95 0.95 0.95 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 0.79
150 0.84 0.84 0.84 0.19 -0.41 0.84 -0.89 0.84 0.84 0.84 0.84 0.84 0.84 -0.41 0.84 0.84 0.84 0.84 0.84 0.84
151 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 1.18 1.18 1.18 1.18 1.18 0.71
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 0.36 1.07 1.07 1.07 1.07 0.36 1.07 0.36 1.07 1.07 1.07 1.07 1.07 1.07 1.07
#Reported_Model_Average 0.412 0.456 0.462 0.483 0.433 0.487 0.466 0.401 0.440 0.443 0.436 0.475 0.428 0.446 0.477 0.458 0.506 0.421 0.520 0.443
#Overall_Average_Reported 0.455
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 -0.80 -0.74 -0.80 -0.74 -0.80 -0.74 -0.74 -0.74 -0.80 -0.74 -0.74 -0.74 -0.80 -0.80 -0.80 -0.74 -0.80 -0.74
9 1.29 1.29 1.29 1.29 1.29 -0.35 1.29 1.29 1.29 -0.35 1.29 1.29 1.29 1.29 1.29 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 0.41 0.41
11 0.36 0.36 0.36 0.36 0.36 0.36 1.07 -0.81 0.36 -1.33 -0.81 -1.33 -0.81 -0.81 0.36 -0.81 0.36 -1.33 0.36 0.36
12 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.55 0.55 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 0.41 0.41 -0.37 -0.37 0.41 0.41 0.41 -0.37 0.41 -0.37 0.41 0.41 0.41 -0.37 0.41 0.41
14 -1.33 0.36 0.14 0.14 -1.33 0.36 0.14 0.36 0.36 0.36 0.36 0.14 0.14 0.36 0.14 0.36 0.36 0.14 0.14 0.14
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 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.74
18 -1.01 -1.01 -1.01 -1.01 -0.65 -0.88 -0.65 -1.01 -0.88 -1.01 -0.88 -1.01 -1.01 -1.01 -1.01 -1.01 -0.65 -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 0.14 0.14 0.36 0.14 0.36 0.14 0.36 0.14 0.14 0.14 0.14 0.14 0.36 0.14 0.14 0.14 0.14 0.14 0.36 0.14
22 0.81 -0.54 0.81 0.81 0.81 -0.28 -0.28 -0.54 0.81 -0.54 -0.54 0.81 -0.94 -0.54 -0.54 0.81 0.81 0.81 0.93 0.81
23 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.19 0.84 0.84 0.84 0.19 0.84 0.84 0.19 0.84 0.19 0.19
24 0.95 0.95 0.95 0.95 0.95 0.95 0.79 0.95 0.95 0.95 0.79 0.95 0.79 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 0.10 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 -0.12
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 -0.25 -0.25 0.14 0.14 -0.25 0.14 0.14 0.14 -0.25 0.14 0.14 -0.25 0.14 -0.25 -0.25 0.14 0.14 0.14 0.14
31 0.71 1.30 1.30 -0.30 0.71 1.30 0.71 0.71 -0.30 1.30 1.30 -0.30 -0.30 -0.30 1.30 0.71 1.30 -0.30 0.71 -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 -0.38 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
34 -0.46 0.71 -0.30 0.16 0.16 0.16 -0.30 -0.30 0.16 0.71 -0.30 -0.30 0.71 -0.46 -0.46 -0.30 -0.46 0.16 -0.30 -0.46
35 1.28 1.28 1.28 0.87 0.87 1.28 0.87 0.87 1.28 0.87 1.28 1.28 0.87 -0.22 1.28 1.28 0.87 1.28 1.28 1.28
36 0.62 0.62 0.62 0.62 0.60 0.62 0.60 0.62 0.60 0.62 0.60 0.60 0.60 -0.43 0.62 0.62 0.62 0.60 0.62 0.62
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 0.27 -0.88 0.27 0.86 0.86 0.50 0.50 -0.88 0.50 -0.55 0.27 0.86 -0.88 0.27 0.86 0.50 0.27 0.86 0.86 0.27
40 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 -0.06 0.17 -0.06 0.17 -0.06 0.17 0.17 0.17 0.17 0.17
44 0.29 0.29 0.29 0.62 0.62 0.29 0.29 0.29 0.29 0.29 0.62 0.62 0.62 0.29 0.29 0.29 0.29 0.62 0.29 0.29
45 0.71 0.71 -0.46 0.16 0.16 0.16 0.16 0.16 0.16 0.71 -0.46 0.16 0.16 0.16 0.16 -0.30 0.16 -0.46 -0.30 0.16
46 1.30 1.30 0.71 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 1.30 1.30 1.30 1.30
47 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
48 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
49 0.62 0.16 0.62 0.62 0.62 0.16 0.62 0.62 -0.32 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
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 0.08 0.47 0.47 0.47 0.08 0.08 0.08 0.08 0.47 0.47 0.47 0.47 0.08 0.08 0.08 0.47 -2.12 0.08 0.08
52 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.17 0.34 0.34
53 0.64 0.64 0.64 0.64 0.64 0.64 0.44 0.44 0.64 0.44 0.44 0.64 0.64 0.44 0.44 0.64 0.44 0.64 0.64 0.44
54 0.17 0.17 0.34 0.59 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.34 0.34 0.17 0.17 0.17 0.17
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 0.44 0.64 0.44 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.64 0.64 0.64
57 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.44 0.64 0.64 0.44 0.64 0.64
58 0.96 0.96 0.96 0.96 0.96 1.32 0.96 0.96 1.32 0.96 1.32 0.37 1.32 1.32 1.32 1.32 1.32 1.32 0.96 1.32
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 -0.41 -0.41 -0.41 -1.52 0.84 -0.41 0.84 0.84 0.84 -0.41 0.84 -0.41 0.84 -0.41 0.84 -0.41 -1.52 0.84 -0.41
61 0.17 0.17 1.30 1.30 1.30 0.17 1.30 1.30 1.30 0.17 0.17 1.30 0.17 1.30 1.30 1.30 0.17 1.30 1.30 1.30
62 0.37 0.37 -0.56 -0.56 0.37 -0.56 0.37 0.37 -0.56 0.37 0.37 0.37 0.37 0.37 -0.56 1.32 -0.56 0.37 0.37 -0.56
68 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
69 0.37 0.37 1.32 1.32 0.37 0.96 1.32 -0.56 -0.56 1.32 1.32 -0.56 1.32 -0.56 0.37 1.32 0.37 -0.56 0.37 0.37
70 -0.68 0.41 -0.42 0.41 -0.68 -0.20 0.41 -0.42 0.41 -0.20 -0.68 -0.42 0.41 -0.42 -0.68 -0.42 0.41 -0.42 0.41 0.41
71 0.71 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18
72 -0.20 -0.20 -0.20 -0.42 -0.20 -0.42 -0.42 -0.20 -0.20 -0.42 -0.20 -0.20 -1.59 -0.42 -0.42 -0.42 -0.42 -0.20 -0.42 -0.42
73 1.40 1.40 1.40 1.04 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
75 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 1.32 1.32 1.32 0.96 1.32 0.96 0.96 0.96 0.96 0.96
76 -0.65 -0.86 -0.65 -0.86 -0.01 -0.01 -0.65 -0.86 -0.65 -0.86 -0.65 -0.65 -0.65 -0.86 -0.77 -0.86 -0.86 -0.65 -0.01 -0.65
77 1.00 1.00 0.66 1.00 0.66 -0.09 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
78 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
81 0.66 0.66 -0.09 0.66 0.66 1.00 0.66 0.66 0.66 0.66 0.66 1.00 0.66 0.66 0.66 0.66 1.00 0.66 1.00 1.00
82 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.28 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 0.66 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00 -0.40 1.00 -0.09 -0.09 1.00 0.66 -0.09 1.00
88 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 0.08 0.08 0.08 0.08 0.08 0.08 0.08
89 0.79 0.79 0.95 0.79 0.79 -0.17 0.95 0.95 -0.17 0.79 0.79 0.79 0.95 0.79 0.95 0.95 0.79 0.79 0.95 0.79
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 0.08 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.08
93 0.64 -0.07 0.44 0.44 0.64 0.64 0.44 0.64 0.64 0.64 0.44 0.44 0.44 0.64 0.44 0.44 0.44 0.64 0.44 0.44
94 0.17 0.34 0.17 0.34 0.17 0.34 0.34 0.59 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.17 0.17 0.59 0.17 0.17
95 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
96 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 0.55 0.55 0.55
97 -0.52 0.59 0.59 0.59 0.59 0.59 -0.52 0.59 0.59 0.59 0.59 0.59 -0.52 0.59 0.59 0.59 0.59 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 -1.33 -1.33 -1.33 -0.81 0.14 0.14 -0.81 0.14 0.14 -0.81 -0.81 -0.81 -1.33 -1.33 -1.33 -1.33 -0.81 0.14 -1.33
102 1.30 1.30 1.30 1.30 1.30 1.09 0.17 1.30 1.30 1.30 1.30 1.30 1.09 1.09 1.30 1.30 1.30 1.30 1.30 0.17
103 -0.35 -0.35 -0.35 -0.35 -0.35 0.26 0.26 0.26 -0.35 -0.35 1.07 1.07 0.26 0.26 0.26 0.26 -0.35 0.26 -0.35 1.07
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 0.64 0.44 0.64 0.64 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.64 0.25 0.64 0.44 0.44 0.64
106 1.25 -0.43 1.25 1.14 1.25 1.14 -0.43 1.14 -0.43 1.25 1.14 1.25 1.25 1.25 1.25 -1.40 1.25 1.25 1.25 1.25
109 0.55 -0.06 -0.06 0.55 -0.06 0.55 0.55 -0.59 0.55 1.11 1.11 -0.06 1.11 1.11 -0.06 1.11 0.55 -0.06 0.55 1.11
110 0.62 0.62 0.09 0.62 -0.43 0.62 0.62 0.60 -2.15 0.62 0.60 0.60 0.60 0.60 0.62 0.60 0.09 0.60 0.62 0.62
111 0.76 0.76 -0.02 0.76 0.76 0.76 0.76 0.44 0.76 -0.02 0.44 0.44 0.44 0.44 0.76 -0.02 0.76 0.44 0.76 0.44
112 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
113 0.27 0.27 0.86 0.86 0.86 0.86 0.27 0.27 0.86 0.86 0.50 0.86 0.86 0.86 0.86 0.50 0.50 0.27 0.50 0.27
114 0.29 -0.28 -0.28 -0.80 0.29 -0.28 -0.43 0.29 -0.28 -0.28 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 -0.28
115 0.76 0.76 0.76 0.76 -0.02 0.76 0.76 -0.02 -0.02 0.44 0.76 0.76 0.76 0.76 -0.02 -0.02 0.76 0.76 0.76 0.44
116 1.30 0.71 1.30 0.71 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 0.71 1.30
117 -0.27 0.87 0.87 0.87 0.87 0.87 0.87 1.02 1.02 0.87 -0.27 0.87 -0.27 0.87 1.02 0.87 0.87 0.87 -0.27 0.87
118 0.07 0.66 0.66 0.66 0.07 0.56 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.07 0.66 0.07 0.66 0.66
119 0.86 1.01 0.86 1.01 0.86 1.01 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86
120 0.74 0.74 0.74 0.41 0.74 0.74 0.41 0.74 0.74 0.74 0.41 0.74 0.41 0.74 0.74 0.41 0.41 0.74 0.74 0.41
121 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.29 -0.28
122 0.29 0.29 0.44 0.29 0.44 0.29 0.29 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.29 0.44 0.29 0.44 0.44 0.29
123 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 -0.26 0.51 0.51 -0.26 -0.26 0.51 0.51 -0.26 0.51 0.51 -0.26 0.51 0.51
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 -1.29 0.71 1.04 -1.29 0.71 0.71 0.71 0.71 0.71 0.71 -1.29 0.71 -0.84 -0.84 1.04 -0.84 0.71 -0.84 0.71 -1.29
126 0.51 0.23 0.23 0.51 0.51 0.51 0.23 0.23 0.51 0.23 0.51 0.23 0.34 0.23 0.23 0.51 0.23 0.23 0.51 0.23
130 -1.59 0.41 -0.42 -0.42 -1.59 -0.42 -0.42 -0.68 -0.42 -0.42 -1.59 -1.59 -0.20 -0.20 -0.42 -0.42 -0.42 -0.20 0.41 -0.20
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 0.17 0.17 1.30 1.30 0.17 0.17 1.30 0.17 0.17 0.17 1.30 1.30 1.30 1.30 1.30 0.17 1.30 0.17 0.17 0.17
133 -0.20 -0.42 -0.20 -0.20 -1.59 -0.20 -0.20 -1.59 -0.20 -0.20 -0.42 -0.20 -0.42 -0.20 -0.20 -0.68 -0.20 -0.20 -0.20 0.41
134 1.50 1.07 1.07 1.07 1.07 1.07 1.07 1.07 -0.35 1.50 1.07 0.26 0.26 1.50 1.07 0.26 1.50 0.09 0.09 1.07
138 -0.26 0.51 0.41 0.41 -0.26 0.41 -0.26 0.51 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.51 0.51 0.41 0.41
139 0.64 0.44 0.44 0.64 0.64 0.64 0.64 0.64 0.64 0.44 0.44 0.64 0.64 0.64 0.64 0.44 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 -0.03 0.25 0.25 0.25 0.25 0.25 -0.03 -0.57 -0.03 0.25 0.25 0.25 -0.03 0.25 -0.03 0.25 0.25 0.25
147 0.29 0.29 0.29 0.77 0.77 0.77 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.77 0.77 0.29 0.29 0.77 0.29 0.29
148 0.19 0.84 0.19 0.19 0.84 0.19 0.19 0.19 0.19 0.19 -0.89 0.19 0.19 0.19 0.19 0.84 0.19 0.84 0.19 0.19
149 0.95 0.95 0.95 0.95 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 0.79
150 0.84 0.84 0.84 0.19 -0.41 0.84 -0.89 0.84 0.84 0.84 0.84 0.84 0.84 -0.41 0.84 0.84 0.84 0.84 0.84 0.84
151 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 1.18 1.18 1.18 1.18 1.18 0.71
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 0.36 1.07 1.07 1.07 1.07 0.36 1.07 0.36 1.07 1.07 1.07 1.07 1.07 1.07 1.07
#Reported_Model_Average 0.412 0.456 0.462 0.483 0.433 0.487 0.466 0.401 0.440 0.443 0.436 0.475 0.428 0.446 0.477 0.458 0.506 0.421 0.520 0.443
#Overall_Average_Reported 0.455
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 0 1 0 0 0 0 0 0 0
9.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
10.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
11.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
12.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
13.000 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1
15.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
16.000 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0
17.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
18.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
19.000 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0
20.000 1 1 0 0 0 0 1 8 0 2 0 0 0 2 1 0 2 3 2 0
21.000 0 2 0 0 2 0 2 2 2 0 2 2 12 2 0 3 0 0 2 1
22.000 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 2 0 0 0 1
23.000 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
24.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
25.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
26.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
27.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
31.000 1 0 0 0 2 0 0 9 0 0 0 0 0 0 0 0 0 0 0 0
32.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
34.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
35.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
36.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
37.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
38.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
39.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
40.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
44.000 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
45.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1
46.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0
47.000 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
48.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
49.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0
52.000 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0
53.000 0 2 0 0 0 0 0 0 1 0 1 1 0 0 0 0 1 1 1 1
54.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0
57.000 0 0 0 0 1 0 0 0 1 0 1 1 1 1 0 0 0 1 0 0
58.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
59.000 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0
60.000 1 0 0 1 0 0 0 0 1 0 0 3 0 0 0 1 0 1 0 0
61.000 0 1 0 0 0 0 0 1 1 0 2 0 1 0 0 1 0 0 0 0
62.000 1 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 1 0 0
68.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
69.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
70.000 1 0 0 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0
71.000 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0
72.000 3 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 0 1
73.000 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 0 0 0 1 0
75.000 1 0 0 1 0 0 0 0 1 0 2 1 1 1 0 0 0 1 0 0
76.000 1 0 0 1 0 0 0 0 1 0 1 1 0 0 0 0 0 0 1 0
77.000 1 2 0 0 0 0 0 0 1 1 1 0 0 0 1 0 2 3 0 1
78.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
81.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0
82.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
83.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 0 0 0 0
87.000 1 0 0 0 0 0 1 1 0 1 0 0 0 1 1 1 0 1 0 2
88.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0
89.000 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0
90.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
91.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0
92.000 0 1 0 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0
93.000 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
94.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
95.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
96.000 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
97.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
98.000 1 0 0 1 0 0 1 0 1 0 0 0 0 1 1 0 1 1 0 1
99.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0
100.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
101.000 0 0 0 1 0 0 0 0 0 2 1 2 0 0 0 0 0 0 0 0
102.000 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 1 0 0 0
103.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0
104.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
105.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
106.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
109.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
110.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
111.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
112.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0
113.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
114.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
115.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
116.000 0 0 2 0 0 1 0 1 1 1 0 0 0 0 0 2 1 0 0 0
117.000 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0
118.000 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0
119.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
120.000 1 2 2 0 0 1 1 1 2 1 0 1 1 1 2 2 0 1 1 0
121.000 0 0 1 0 0 0 0 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 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 1 0 1 1
124.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
125.000 1 1 0 1 0 3 2 1 2 1 1 1 0 1 1 0 2 1 1 1
126.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0
130.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0
131.000 0 1 0 0 0 0 0 1 2 0 1 0 2 0 1 0 0 0 0 0
132.000 0 0 0 1 0 0 0 0 0 0 0 2 0 0 0 1 0 0 0 0
133.000 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0
134.000 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0
138.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
139.000 0 0 1 1 1 1 2 2 0 0 0 0 0 1 0 0 1 2 0 1
140.000 0 0 1 1 0 1 2 2 0 0 0 0 0 1 0 0 1 2 0 1
146.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
147.000 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 1 2 0 0 0
148.000 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0
149.000 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
150.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
151.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0
152.000 0 0 0 1 0 0 1 0 1 0 0 0 0 0 1 0 1 1 0 0
153.000 0 0 8 1 0 1 0 1 1 1 0 0 0 0 0 5 0 0 0 0
#Reported_Model_Average 0.181 0.147 0.164 0.155 0.095 0.172 0.164 0.379 0.233 0.095 0.164 0.224 0.259 0.155 0.121 0.233 0.190 0.267 0.129 0.147
#Overall_Average_Reported 0.184
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 120 VAL 3HG1 :A 125 PHE 1HB : -0.504: 0
: 2479:A 160 GLU O :A 161 HIS 1HB : -0.467: 0
: 2479:A 72 GLU 1HB :A 60 ARG 1HB : -0.463: 0
: 2479:A 72 GLU 1HG :A 23 ARG 1HG : -0.438: 0
: 2479:A 72 GLU HA :A 22 ILE O : -0.413: 0
: 2479:A 22 ILE 2HG1 :A 87 VAL HA : -0.411: 0
: 2479:A 144 PRO O :A 145 ASP 1HB : -0.457: 0
: 2479:A 104 GLY 1HA :A 145 ASP HA : -0.420: 0
: 2479:A 96 LYS HA :A 13 GLU HA : -0.440: 0
: 2479:A 31 LEU HG :A 28 MET HA : -0.435: 0
: 2479:A 76 PRO 2HD :A 75 PHE HA : -0.420: 0
: 2479:A 62 PHE 1HB :A 70 GLU 2HB : -0.419: 0
: 2479:A 128 SER HA :A 158 SER HA : -0.416: 0
: 2479:A 77 VAL 1HG1 :A 20 LEU HG : -0.408: 0
: 2479:A 155 LEU 3HD1 :A 98 ALA H : -0.406: 0
#sum2 ::6.05 clashscore : 6.05 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280487 potential dots:17530.0 A^2:15 bumps:15 bumps B<40:790.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 137 ASP 1HB :A 136 LEU O : -0.559: 0
: 2479:A 120 VAL 3HG1 :A 125 PHE 1HB : -0.531: 0
: 2479:A 120 VAL 1HG2 :A 155 LEU HA : -0.453: 0
: 2479:A 6 GLN O :A 7 PHE 1HB : -0.510: 0
: 2479:A 21 LEU 2HD1 :A 21 LEU C : -0.505: 0
: 2479:A 142 THR O :A 143 ALA 3HB : -0.498: 0
: 2479:A 65 SER O :A 66 ALA 3HB : -0.482: 0
: 2479:A 92 THR HB :A 93 PRO 1HD : -0.470: 0
: 2479:A 131 ALA 3HB :A 61 TYR 1HB : -0.452: 0
: 2479:A 53 PRO HA :A 77 VAL HA : -0.449: 0
: 2479:A 77 VAL 1HG1 :A 20 LEU 3HD1 : -0.431: 0
: 2479:A 53 PRO 1HD :A 52 SER 2HB : -0.414: 0
: 2479:A 154 MET HA :A 128 SER O : -0.423: 0
: 2479:A 154 MET CG :A 129 GLY 1HA : -0.402: 0
: 2479:A 72 GLU 1HG :A 23 ARG HA : -0.404: 0
#sum2 ::6.05 clashscore : 6.05 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280471 potential dots:17530.0 A^2:15 bumps:15 bumps B<40:855.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 153 LEU 1HD2 :A 116 LEU 1HB : -0.553: 0
: 2479:A 153 LEU C :A 153 LEU 2HD1 : -0.499: 0
: 2479:A 153 LEU O :A 153 LEU 2HD1 : -0.464: 0
: 2479:A 153 LEU 1HD2 :A 116 LEU CB : -0.409: 0
: 2479:A 153 LEU C :A 153 LEU CD1 : -0.400: 0
: 2479:A 139 PRO O :A 140 ALA 3HB : -0.500: 0
: 2479:A 137 ASP 1HB :A 136 LEU O : -0.495: 0
: 2479:A 154 MET SD :A 64 MET 2HG : -0.455: 0
: 2479:A 127 LEU 1HD2 :A 157 GLU 1HB : -0.436: 0
: 2479:A 142 THR O :A 143 ALA 3HB : -0.436: 0
: 2479:A 24 THR O :A 71 VAL 2HG2 : -0.404: 0
: 2479:A 120 VAL 2HG2 :A 156 HIS 1HB : -0.402: 0
: 2479:A 121 ASP N :A 120 VAL CG1 : -0.400: 0
: 2479:A 47 ALA 3HB :A 44 GLN HA : -0.400: 0
#sum2 ::5.65 clashscore : 5.65 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280430 potential dots:17530.0 A^2:14 bumps:14 bumps B<40:843.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 155 LEU 3HD2 :A 155 LEU H : -0.978: 0
: 2479:A 155 LEU H :A 155 LEU CD2 : -0.520: 0
: 2479:A 125 PHE 2HB :A 155 LEU 2HD1 : -0.435: 0
: 2479:A 98 ALA H :A 155 LEU 2HD2 : -0.421: 0
: 2479:A 4 GLU O :A 5 CYS 1HB : -0.538: 0
: 2479:A 139 PRO O :A 140 ALA 3HB : -0.477: 0
: 2479:A 72 GLU 1HB :A 60 ARG 1HB : -0.465: 0
: 2479:A 92 THR HB :A 93 PRO 1HD : -0.464: 0
: 2479:A 75 PHE HA :A 76 PRO 2HD : -0.437: 0
: 2479:A 153 LEU 1HD1 :A 113 TYR HA : -0.432: 0
: 2479:A 26 THR 3HG2 :A 30 GLU 1HB : -0.421: 0
: 2479:A 102 TYR 2HB :A 149 THR HB : -0.415: 0
: 2479:A 7 PHE HA :A 101 LEU O : -0.413: 0
: 2479:A 152 SER 2HB :A 132 TYR CE2 : -0.405: 0
#sum2 ::5.65 clashscore : 5.65 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280434 potential dots:17530.0 A^2:14 bumps:14 bumps B<40:896.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 3 PHE 1HB :A 2 ASP O : -0.533: 0
: 2479:A 3 PHE O :A 4 GLU 1HB : -0.442: 0
: 2479:A 2 ASP O :A 3 PHE CB : -0.410: 0
: 2479:A 144 PRO O :A 145 ASP 1HB : -0.519: 0
: 2479:A 144 PRO O :A 145 ASP CB : -0.450: 0
: 2479:A 157 GLU O :A 158 SER 1HB : -0.500: 0
: 2479:A 96 LYS HA :A 13 GLU HA : -0.460: 0
: 2479:A 141 GLU H :A 139 PRO C : -0.454: 0
: 2479:A 137 ASP 1HB :A 148 ARG H : -0.445: 0
: 2479:A 57 PRO 1HG :A 135 TYR 1HB : -0.427: 0
: 2479:A 21 LEU 2HD1 :A 21 LEU C : -0.418: 0
: 2479:A 31 LEU HA :A 31 LEU 2HD1 : -0.417: 0
: 2479:A 22 ILE HB :A 73 PHE CD1 : -0.403: 0
#sum2 ::5.24 clashscore : 5.24 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280269 potential dots:17520.0 A^2:13 bumps:13 bumps B<40:843.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 118 LYS 2HE :A 118 LYS HA : -0.660: 0
: 2479:A 118 LYS 2HE :A 118 LYS CA : -0.422: 0
: 2479:A 139 PRO O :A 140 ALA 3HB : -0.525: 0
: 2479:A 153 LEU 2HD1 :A 116 LEU 1HB : -0.471: 0
: 2479:A 120 VAL 3HG1 :A 125 PHE 1HB : -0.467: 0
: 2479:A 125 PHE 2HB :A 155 LEU 3HD1 : -0.459: 0
: 2479:A 123 ASN 2HB :A 125 PHE CE1 : -0.407: 0
: 2479:A 127 LEU 1HB :A 155 LEU 1HB : -0.402: 0
: 2479:A 154 MET SD :A 127 LEU O : -0.400: 0
: 2479:A 156 HIS O :A 157 GLU 1HB : -0.462: 0
: 2479:A 158 SER 2HB :A 117 MET SD : -0.444: 0
: 2479:A 151 VAL 3HG1 :A 133 GLU 1HG : -0.440: 0
: 2479:A 16 PRO HA :A 92 THR HB : -0.437: 0
: 2479:A 62 PHE 2HB :A 130 GLU 1HG : -0.421: 0
#sum2 ::5.65 clashscore : 5.65 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280593 potential dots:17540.0 A^2:14 bumps:14 bumps B<40:860.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 139 PRO O :A 140 ALA 3HB : -0.516: 0
: 2479:A 139 PRO O :A 140 ALA CB : -0.411: 0
: 2479:A 144 PRO O :A 145 ASP 1HB : -0.511: 0
: 2479:A 144 PRO O :A 145 ASP CB : -0.417: 0
: 2479:A 147 LEU 3HD2 :A 147 LEU C : -0.474: 0
: 2479:A 120 VAL 3HG1 :A 125 PHE 1HB : -0.448: 0
: 2479:A 123 ASN 2HB :A 125 PHE CE1 : -0.441: 0
: 2479:A 98 ALA O :A 152 SER HA : -0.435: 0
: 2479:A 117 MET SD :A 157 GLU 2HG : -0.425: 0
: 2479:A 18 PRO HA :A 90 GLY O : -0.421: 0
: 2479:A 155 LEU 1HB :A 127 LEU N : -0.411: 0
: 2479:A 20 LEU 1HD1 :A 87 VAL 2HG1 : -0.404: 0
: 2479:A 21 LEU 2HD1 :A 21 LEU C : -0.403: 0
#sum2 ::5.24 clashscore : 5.24 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280464 potential dots:17530.0 A^2:13 bumps:13 bumps B<40:873.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 20 LEU 2HD1 :A 20 LEU C : -0.790: 0
: 2479:A 20 LEU 2HD1 :A 20 LEU O : -0.679: 0
: 2479:A 20 LEU CD1 :A 20 LEU C : -0.482: 0
: 2479:A 20 LEU 1HD1 :A 42 ILE 1HG1 : -0.467: 0
: 2479:A 89 THR 2HG2 :A 20 LEU CB : -0.454: 0
: 2479:A 42 ILE H :A 43 LEU H : -0.419: 0
: 2479:A 31 LEU H :A 31 LEU 3HD1 : -0.650: 0
: 2479:A 31 LEU H :A 31 LEU CD1 : -0.602: 0
: 2479:A 31 LEU 3HD1 :A 31 LEU N : -0.476: 0
: 2479:A 32 GLY N :A 31 LEU 2HD2 : -0.458: 0
: 2479:A 34 LEU 1HB :A 31 LEU HA : -0.422: 0
: 2479:A 71 VAL 1HG1 :A 31 LEU CB : -0.400: 0
: 2479:A 140 ALA 3HB :A 139 PRO O : -0.518: 0
: 2479:A 139 PRO O :A 140 ALA CB : -0.403: 0
: 2479:A 25 GLN 1HG :A 70 GLU 1HG : -0.481: 0
: 2479:A 70 GLU 1HB :A 62 PHE 1HB : -0.473: 0
: 2479:A 155 LEU O :A 156 HIS 2HB : -0.459: 0
: 2479:A 21 LEU HA :A 74 GLY 1HA : -0.449: 0
: 2479:A 21 LEU 2HB :A 72 GLU 1HG : -0.405: 0
: 2479:A 120 VAL 3HG1 :A 125 PHE 1HB : -0.432: 0
: 2479:A 131 ALA 3HB :A 61 TYR 1HB : -0.429: 0
: 2479:A 109 ILE HA :A 102 TYR OH : -0.428: 0
: 2479:A 164 HIS 2HB :A 163 HIS O : -0.419: 0
: 2479:A 149 THR 3HG2 :A 134 ILE O : -0.415: 0
: 2479:A 45 LEU 1HD1 :A 87 VAL 1HG1 : -0.411: 0
: 2479:A 116 LEU 3HD1 :A 153 LEU HG : -0.403: 0
#sum2 ::10.49 clashscore : 10.49 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280599 potential dots:17540.0 A^2:26 bumps:26 bumps B<40:827.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 155 LEU 3HD2 :A 155 LEU H : -0.855: 0
: 2479:A 155 LEU 1HB :A 120 VAL 1HG1 : -0.587: 0
: 2479:A 155 LEU H :A 155 LEU CD2 : -0.480: 0
: 2479:A 123 ASN 2HB :A 125 PHE CE1 : -0.434: 0
: 2479:A 120 VAL 3HG1 :A 125 PHE 1HB : -0.427: 0
: 2479:A 155 LEU 2HD2 :A 98 ALA 3HB : -0.405: 0
: 2479:A 75 PHE 2HB :A 57 PRO HA : -0.613: 0
: 2479:A 131 ALA 2HB :A 154 MET 2HG : -0.545: 0
: 2479:A 131 ALA 3HB :A 61 TYR 1HB : -0.526: 0
: 2479:A 92 THR HB :A 93 PRO 1HD : -0.532: 0
: 2479:A 19 ALA HA :A 76 PRO HA : -0.522: 0
: 2479:A 71 VAL HA :A 60 ARG O : -0.492: 0
: 2479:A 53 PRO HA :A 77 VAL HA : -0.487: 0
: 2479:A 21 LEU 2HD1 :A 21 LEU C : -0.471: 0
: 2479:A 64 MET 1HE :A 157 GLU O : -0.441: 0
: 2479:A 152 SER HA :A 99 SER HA : -0.436: 0
: 2479:A 153 LEU 2HD1 :A 116 LEU 3HD2 : -0.409: 0
: 2479:A 22 ILE 2HD1 :A 38 GLY 1HA : -0.402: 0
#sum2 ::7.26 clashscore : 7.26 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280454 potential dots:17530.0 A^2:18 bumps:18 bumps B<40:813.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 155 LEU C :A 155 LEU 2HD1 : -0.545: 0
: 2479:A 155 LEU 2HD1 :A 155 LEU O : -0.453: 0
: 2479:A 157 GLU O :A 158 SER 2HB : -0.503: 0
: 2479:A 157 GLU O :A 158 SER CB : -0.430: 0
: 2479:A 156 HIS O :A 157 GLU 2HB : -0.426: 0
: 2479:A 6 GLN O :A 102 TYR HA : -0.467: 0
: 2479:A 101 LEU 3HD2 :A 101 LEU C : -0.465: 0
: 2479:A 116 LEU 3HD2 :A 153 LEU HG : -0.448: 0
: 2479:A 77 VAL 1HG1 :A 20 LEU HG : -0.431: 0
: 2479:A 87 VAL CG1 :A 20 LEU 2HB : -0.411: 0
: 2479:A 120 VAL 3HG1 :A 125 PHE 1HB : -0.424: 0
#sum2 ::4.44 clashscore : 4.44 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280499 potential dots:17530.0 A^2:11 bumps:11 bumps B<40:838 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 53 PRO HA :A 77 VAL HA : -0.566: 0
: 2479:A 131 ALA 3HB :A 61 TYR 1HB : -0.549: 0
: 2479:A 64 MET SD :A 61 TYR 2HB : -0.530: 0
: 2479:A 64 MET 2HG :A 159 LEU 3HD1 : -0.461: 0
: 2479:A 75 PHE 2HB :A 57 PRO HA : -0.476: 0
: 2479:A 76 PRO 1HD :A 75 PHE 1HB : -0.427: 0
: 2479:A 70 GLU 1HB :A 62 PHE 1HB : -0.463: 0
: 2479:A 21 LEU 2HD1 :A 21 LEU C : -0.454: 0
: 2479:A 3 PHE O :A 4 GLU 1HB : -0.450: 0
: 2479:A 127 LEU H :A 156 HIS 1HB : -0.434: 0
: 2479:A 156 HIS H :A 154 MET 1HG : -0.403: 0
: 2479:A 160 GLU C :A 160 GLU OE1 : -0.425: 0
: 2479:A 160 GLU C :A 160 GLU CD : -0.410: 0
: 2479:A 144 PRO O :A 145 ASP 1HB : -0.419: 0
: 2479:A 30 GLU 1HB :A 27 ALA 3HB : -0.419: 0
: 2479:A 16 PRO HA :A 92 THR HB : -0.416: 0
: 2479:A 148 ARG 2HB :A 101 LEU 1HD1 : -0.410: 0
: 2479:A 125 PHE 2HB :A 155 LEU 3HD1 : -0.407: 0
#sum2 ::7.26 clashscore : 7.26 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280221 potential dots:17510.0 A^2:18 bumps:18 bumps B<40:916.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 144 PRO O :A 145 ASP 1HB : -0.551: 0
: 2479:A 144 PRO O :A 145 ASP CB : -0.458: 0
: 2479:A 7 PHE HA :A 102 TYR HA : -0.515: 0
: 2479:A 63 GLY O :A 64 MET 1HB : -0.486: 0
: 2479:A 148 ARG 1HG :A 103 ILE 1HG1 : -0.482: 0
: 2479:A 19 ALA HA :A 76 PRO HA : -0.481: 0
: 2479:A 101 LEU 3HD2 :A 101 LEU C : -0.449: 0
: 2479:A 132 TYR CE2 :A 60 ARG 2HD : -0.443: 0
: 2479:A 60 ARG 2HD :A 132 TYR CZ : -0.408: 0
: 2479:A 72 GLU 1HB :A 60 ARG 2HB : -0.408: 0
: 2479:A 75 PHE 2HB :A 57 PRO HA : -0.439: 0
: 2479:A 120 VAL 3HG1 :A 125 PHE 1HB : -0.434: 0
: 2479:A 97 ALA 2HB :A 14 LEU 1HB : -0.433: 0
: 2479:A 155 LEU 2HB :A 154 MET O : -0.429: 0
: 2479:A 21 LEU 2HD1 :A 21 LEU C : -0.424: 0
: 2479:A 53 PRO 1HD :A 52 SER 2HB : -0.422: 0
: 2479:A 49 GLN 2HG :A 81 VAL 3HG1 : -0.414: 0
: 2479:A 56 PRO 1HB :A 135 TYR O : -0.400: 0
#sum2 ::7.26 clashscore : 7.26 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280555 potential dots:17530.0 A^2:18 bumps:18 bumps B<40:848.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 21 LEU O :A 21 LEU 2HD2 : -0.938: 0
: 2479:A 21 LEU CD2 :A 21 LEU C : -0.764: 0
: 2479:A 21 LEU 2HD2 :A 21 LEU C : -0.743: 0
: 2479:A 21 LEU N :A 21 LEU 3HD1 : -0.607: 0
: 2479:A 21 LEU O :A 21 LEU CD2 : -0.498: 0
: 2479:A 21 LEU N :A 21 LEU CD1 : -0.414: 0
: 2479:A 154 MET 2HE :A 154 MET HA : -0.577: 0
: 2479:A 131 ALA 3HB :A 61 TYR 1HB : -0.568: 0
: 2479:A 154 MET 1HG :A 131 ALA 2HB : -0.469: 0
: 2479:A 73 PHE HA :A 59 ALA HA : -0.516: 0
: 2479:A 30 GLU 1HG :A 30 GLU O : -0.454: 0
: 2479:A 2 ASP 1HB :A 1 MET O : -0.441: 0
: 2479:A 57 PRO 2HB :A 75 PHE CE2 : -0.437: 0
: 2479:A 56 PRO 2HG :A 136 LEU HG : -0.435: 0
: 2479:A 58 PHE HA :A 134 ILE HA : -0.433: 0
: 2479:A 155 LEU 2HD1 :A 155 LEU HA : -0.426: 0
: 2479:A 43 LEU HG :A 42 ILE 2HG2 : -0.425: 0
: 2479:A 83 GLY CA :A 88 VAL HA : -0.421: 0
: 2479:A 10 GLU 2HG :A 8 VAL 2HG1 : -0.421: 0
: 2479:A 144 PRO O :A 145 ASP 1HB : -0.421: 0
: 2479:A 120 VAL O :A 124 GLY N : -0.415: 0
: 2479:A 126 ASP OD1 :A 11 LEU 3HD1 : -0.401: 0
#sum2 ::8.87 clashscore : 8.87 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280463 potential dots:17530.0 A^2:22 bumps:22 bumps B<40:808.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 59 ALA 3HB :A 133 GLU 2HB : -0.528: 0
: 2479:A 139 PRO O :A 140 ALA 3HB : -0.482: 0
: 2479:A 39 TYR HA :A 42 ILE 1HG1 : -0.467: 0
: 2479:A 42 ILE HB :A 87 VAL 1HG2 : -0.404: 0
: 2479:A 57 PRO 1HG :A 135 TYR 1HB : -0.457: 0
: 2479:A 120 VAL 3HG1 :A 125 PHE 1HB : -0.449: 0
: 2479:A 47 ALA 3HB :A 44 GLN HA : -0.438: 0
: 2479:A 155 LEU 2HD1 :A 98 ALA H : -0.433: 0
: 2479:A 21 LEU 2HD1 :A 21 LEU C : -0.433: 0
: 2479:A 89 THR HA :A 20 LEU 3HD2 : -0.419: 0
: 2479:A 75 PHE CZ :A 20 LEU 1HB : -0.409: 0
#sum2 ::4.44 clashscore : 4.44 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280605 potential dots:17540.0 A^2:11 bumps:11 bumps B<40:844.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 59 ALA HA :A 73 PHE HA : -0.548: 0
: 2479:A 129 GLY H :A 127 LEU HG : -0.541: 0
: 2479:A 157 GLU CB :A 156 HIS O : -0.510: 0
: 2479:A 156 HIS O :A 157 GLU 1HB : -0.486: 0
: 2479:A 156 HIS 1HB :A 127 LEU CA : -0.430: 0
: 2479:A 144 PRO O :A 145 ASP 1HB : -0.464: 0
: 2479:A 155 LEU 1HB :A 154 MET O : -0.463: 0
: 2479:A 120 VAL 1HG2 :A 155 LEU HA : -0.442: 0
: 2479:A 131 ALA 2HB :A 154 MET 2HG : -0.434: 0
: 2479:A 125 PHE 1HB :A 120 VAL CG2 : -0.406: 0
: 2479:A 98 ALA O :A 152 SER HA : -0.437: 0
: 2479:A 20 LEU 1HD1 :A 87 VAL 2HG1 : -0.435: 0
: 2479:A 65 SER 2HB :A 161 HIS 1HB : -0.434: 0
: 2479:A 52 SER O :A 78 GLU N : -0.417: 0
: 2479:A 81 VAL 1HG2 :A 77 VAL HB : -0.407: 0
#sum2 ::6.05 clashscore : 6.05 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280490 potential dots:17530.0 A^2:15 bumps:15 bumps B<40:817.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 21 LEU 2HD1 :A 21 LEU C : -0.599: 0
: 2479:A 21 LEU 2HB :A 74 GLY 1HA : -0.415: 0
: 2479:A 153 LEU C :A 153 LEU 2HD1 : -0.565: 0
: 2479:A 153 LEU O :A 153 LEU 2HD1 : -0.504: 0
: 2479:A 120 VAL 2HG2 :A 155 LEU 2HD2 : -0.449: 0
: 2479:A 153 LEU 1HD2 :A 116 LEU 1HB : -0.429: 0
: 2479:A 120 VAL 3HG2 :A 116 LEU O : -0.410: 0
: 2479:A 22 ILE 1HG1 :A 87 VAL 2HG2 : -0.551: 0
: 2479:A 72 GLU HA :A 22 ILE O : -0.427: 0
: 2479:A 142 THR O :A 143 ALA 3HB : -0.494: 0
: 2479:A 144 PRO O :A 145 ASP 1HB : -0.470: 0
: 2479:A 144 PRO HA :A 147 LEU HG : -0.412: 0
: 2479:A 132 TYR CE2 :A 60 ARG 2HD : -0.462: 0
: 2479:A 91 LEU 2HD1 :A 91 LEU C : -0.453: 0
: 2479:A 83 GLY 2HA :A 88 VAL HA : -0.434: 0
: 2479:A 83 GLY 1HA :A 45 LEU 1HD2 : -0.410: 0
: 2479:A 3 PHE O :A 4 GLU 1HB : -0.419: 0
: 2479:A 61 TYR 2HB :A 71 VAL 2HG1 : -0.418: 0
#sum2 ::7.26 clashscore : 7.26 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280673 potential dots:17540.0 A^2:18 bumps:18 bumps B<40:821.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 147 LEU 2HD1 :A 147 LEU O : -0.823: 0
: 2479:A 136 LEU 2HD1 :A 136 LEU O : -0.626: 0
: 2479:A 136 LEU C :A 136 LEU 2HD1 : -0.520: 0
: 2479:A 166 HIS CD2 :A 166 HIS O : -0.529: 0
: 2479:A 166 HIS 2HB :A 165 HIS O : -0.513: 0
: 2479:A 166 HIS O :A 166 HIS CG : -0.493: 0
: 2479:A 139 PRO O :A 140 ALA 3HB : -0.500: 0
: 2479:A 155 LEU O :A 156 HIS 2HB : -0.484: 0
: 2479:A 127 LEU 1HB :A 155 LEU 1HB : -0.473: 0
: 2479:A 126 ASP HA :A 156 HIS 1HB : -0.462: 0
: 2479:A 125 PHE 2HB :A 155 LEU 2HB : -0.443: 0
: 2479:A 155 LEU O :A 156 HIS CB : -0.432: 0
: 2479:A 123 ASN 2HB :A 125 PHE CE1 : -0.423: 0
: 2479:A 9 CYS SG :A 116 LEU 3HD2 : -0.470: 0
: 2479:A 148 ARG 1HG :A 103 ILE 1HG1 : -0.437: 0
: 2479:A 89 THR HA :A 20 LEU 3HD2 : -0.425: 0
: 2479:A 77 VAL 1HG1 :A 20 LEU HG : -0.404: 0
: 2479:A 53 PRO HA :A 77 VAL HA : -0.403: 0
: 2479:A 102 TYR CD2 :A 112 VAL 1HG2 : -0.412: 0
: 2479:A 98 ALA O :A 152 SER HA : -0.402: 0
#sum2 ::8.07 clashscore : 8.07 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280532 potential dots:17530.0 A^2:20 bumps:20 bumps B<40:892.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 51 LYS 1HE :A 51 LYS O : -0.741: 0
: 2479:A 51 LYS O :A 51 LYS CE : -0.447: 0
: 2479:A 20 LEU 3HD1 :A 46 LEU 1HD2 : -0.442: 0
: 2479:A 51 LYS 2HB :A 46 LEU 2HB : -0.434: 0
: 2479:A 20 LEU CD1 :A 77 VAL 1HG1 : -0.427: 0
: 2479:A 51 LYS 1HE :A 51 LYS C : -0.410: 0
: 2479:A 77 VAL 1HG1 :A 20 LEU 2HD1 : -0.405: 0
: 2479:A 53 PRO HA :A 77 VAL HA : -0.400: 0
: 2479:A 144 PRO O :A 145 ASP 1HB : -0.528: 0
: 2479:A 139 PRO O :A 140 ALA 3HB : -0.511: 0
: 2479:A 139 PRO O :A 140 ALA CB : -0.401: 0
: 2479:A 163 HIS O :A 164 HIS 1HB : -0.476: 0
: 2479:A 120 VAL 3HG1 :A 125 PHE 1HB : -0.464: 0
: 2479:A 98 ALA O :A 152 SER HA : -0.462: 0
: 2479:A 75 PHE 2HB :A 57 PRO HA : -0.455: 0
: 2479:A 72 GLU 1HB :A 60 ARG 2HB : -0.450: 0
: 2479:A 130 GLU OE1 :A 62 PHE HA : -0.439: 0
: 2479:A 107 GLY O :A 108 GLU CB : -0.416: 0
: 2479:A 87 VAL 2HG2 :A 42 ILE 2HG1 : -0.405: 0
: 2479:A 157 GLU O :A 158 SER 1HB : -0.402: 0
: 2479:A 85 GLY O :A 86 ARG 1HB : -0.400: 0
#sum2 ::8.47 clashscore : 8.47 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280532 potential dots:17530.0 A^2:21 bumps:21 bumps B<40:784.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 155 LEU 3HD2 :A 155 LEU H : -0.827: 0
: 2479:A 155 LEU 1HB :A 120 VAL 1HG1 : -0.467: 0
: 2479:A 155 LEU H :A 155 LEU CD2 : -0.460: 0
: 2479:A 137 ASP 1HB :A 136 LEU O : -0.521: 0
: 2479:A 137 ASP 2HB :A 142 THR 1HG2 : -0.439: 0
: 2479:A 144 PRO O :A 145 ASP 1HB : -0.495: 0
: 2479:A 144 PRO O :A 145 ASP CB : -0.413: 0
: 2479:A 154 MET SD :A 64 MET SD : -0.469: 0
: 2479:A 123 ASN 2HB :A 125 PHE CE1 : -0.449: 0
: 2479:A 21 LEU 2HD1 :A 21 LEU C : -0.448: 0
: 2479:A 20 LEU C :A 20 LEU 3HD2 : -0.442: 0
: 2479:A 151 VAL O :A 99 SER HA : -0.427: 0
: 2479:A 129 GLY H :A 127 LEU HG : -0.425: 0
: 2479:A 35 PHE CD1 :A 73 PHE 2HB : -0.419: 0
: 2479:A 76 PRO O :A 53 PRO HA : -0.416: 0
: 2479:A 112 VAL 3HG1 :A 100 SER 1HB : -0.407: 0
#sum2 ::6.45 clashscore : 6.45 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280650 potential dots:17540.0 A^2:16 bumps:16 bumps B<40:833.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2479:A 42 ILE 2HD1 :A 42 ILE C : -0.689: 0
: 2479:A 42 ILE CD1 :A 42 ILE C : -0.504: 0
: 2479:A 42 ILE O :A 42 ILE 2HD1 : -0.504: 0
: 2479:A 21 LEU O :A 87 VAL HA : -0.410: 0
: 2479:A 42 ILE 1HG2 :A 87 VAL HB : -0.409: 0
: 2479:A 157 GLU 1HB :A 156 HIS O : -0.549: 0
: 2479:A 156 HIS O :A 157 GLU CB : -0.452: 0
: 2479:A 77 VAL HA :A 53 PRO HA : -0.540: 0
: 2479:A 94 SER 1HB :A 14 LEU 2HB : -0.523: 0
: 2479:A 69 PHE 1HB :A 26 THR HB : -0.505: 0
: 2479:A 136 LEU O :A 137 ASP 1HB : -0.500: 0
: 2479:A 140 ALA 3HB :A 139 PRO O : -0.494: 0
: 2479:A 159 LEU 2HD1 :A 159 LEU N : -0.471: 0
: 2479:A 159 LEU CD1 :A 159 LEU N : -0.443: 0
: 2479:A 22 ILE O :A 72 GLU HA : -0.454: 0
: 2479:A 127 LEU N :A 155 LEU 1HB : -0.434: 0
: 2479:A 98 ALA H :A 155 LEU 1HD2 : -0.430: 0
: 2479:A 127 LEU HA :A 155 LEU 2HD1 : -0.425: 0
: 2479:A 123 ASN 2HB :A 125 PHE CE1 : -0.424: 0
: 2479:A 84 SER 1HB :A 45 LEU 1HD1 : -0.401: 0
#sum2 ::8.07 clashscore : 8.07 clashscore B<40
#summary::2479 atoms:2479 atoms B<40:280260 potential dots:17520.0 A^2:20 bumps:20 bumps B<40:820.8 score
Output from PDB validation software
Summary from PDB validation
May. 9, 23:24:54 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.
none
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 0.010 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** 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
--------------------------------------------------------------------------------
-7.1 CYS A 5 1 N - CA - CB 103.4 110.5
-7.3 CYS A 9 1 N - CA - CB 103.2 110.5
-7.6 CYS A 5 2 N - CA - CB 102.9 110.5
-7.6 CYS A 9 2 N - CA - CB 102.9 110.5
-7.9 CYS A 5 3 N - CA - CB 102.6 110.5
-7.8 CYS A 9 3 N - CA - CB 102.7 110.5
-7.7 CYS A 5 4 N - CA - CB 102.8 110.5
-7.8 CYS A 9 4 N - CA - CB 102.7 110.5
-7.3 CYS A 5 5 N - CA - CB 103.2 110.5
-7.7 CYS A 9 5 N - CA - CB 102.8 110.5
-7.7 CYS A 5 6 N - CA - CB 102.8 110.5
-7.6 CYS A 9 6 N - CA - CB 102.9 110.5
-7.9 CYS A 5 7 N - CA - CB 102.6 110.5
-7.7 CYS A 9 7 N - CA - CB 102.8 110.5
-7.1 CYS A 5 8 N - CA - CB 103.4 110.5
-7.8 CYS A 9 8 N - CA - CB 102.7 110.5
-7.7 CYS A 5 9 N - CA - CB 102.8 110.5
-7.7 CYS A 9 9 N - CA - CB 102.8 110.5
-7.2 CYS A 5 10 N - CA - CB 103.3 110.5
-7.8 CYS A 9 10 N - CA - CB 102.7 110.5
-7.5 CYS A 5 11 N - CA - CB 103.0 110.5
-7.4 CYS A 9 11 N - CA - CB 103.1 110.5
-7.8 CYS A 5 12 N - CA - CB 102.7 110.5
-7.7 CYS A 9 12 N - CA - CB 102.8 110.5
-7.2 CYS A 5 13 N - CA - CB 103.3 110.5
-7.6 CYS A 9 13 N - CA - CB 102.9 110.5
-7.4 CYS A 5 14 N - CA - CB 103.1 110.5
-7.4 CYS A 9 14 N - CA - CB 103.1 110.5
-7.8 CYS A 5 15 N - CA - CB 102.7 110.5
-7.7 CYS A 9 15 N - CA - CB 102.8 110.5
-7.6 CYS A 5 16 N - CA - CB 102.9 110.5
-7.7 CYS A 9 16 N - CA - CB 102.8 110.5
-7.7 CYS A 5 17 N - CA - CB 102.8 110.5
-7.4 CYS A 9 17 N - CA - CB 103.1 110.5
-7.7 CYS A 5 18 N - CA - CB 102.8 110.5
-7.4 CYS A 9 18 N - CA - CB 103.1 110.5
-7.3 CYS A 5 19 N - CA - CB 103.2 110.5
-7.7 CYS A 9 19 N - CA - CB 102.8 110.5
-7.7 CYS A 5 20 N - CA - CB 102.8 110.5
-7.4 CYS A 9 20 N - CA - CB 103.1 110.5
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 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
HIS( 1 A 40) HD1
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
HIS( 1 A 156) HD1
GLU( 1 A 157) HE2
GLU( 1 A 160) HE2
HIS( 1 A 161) HD1
HIS( 1 A 162) HE2
HIS( 1 A 163) HD1
HIS( 1 A 164) HD1
HIS( 1 A 165) HD1
HIS( 1 A 166) 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
HIS( 2 A 40) HD1
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
HIS( 2 A 156) HD1
GLU( 2 A 157) HE2
GLU( 2 A 160) HE2
HIS( 2 A 161) HE2
HIS( 2 A 162) HD1
HIS( 2 A 163) HD1
HIS( 2 A 164) HD1
HIS( 2 A 165) HE2
HIS( 2 A 166) HD1
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
HIS( 3 A 40) HD1
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
HIS( 3 A 156) HD1
GLU( 3 A 157) HE2
GLU( 3 A 160) HE2
HIS( 3 A 161) HD1
HIS( 3 A 162) HD1
HIS( 3 A 163) HD1
HIS( 3 A 164) HE2
HIS( 3 A 165) HE2
HIS( 3 A 166) HD1
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
HIS( 4 A 40) HD1
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
HIS( 4 A 156) HD1
GLU( 4 A 157) HE2
GLU( 4 A 160) HE2
HIS( 4 A 161) HE2
HIS( 4 A 162) HE2
HIS( 4 A 163) HE2
HIS( 4 A 164) HE2
HIS( 4 A 165) HD1
HIS( 4 A 166) 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
HIS( 5 A 40) HD1
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
HIS( 5 A 156) HD1
GLU( 5 A 157) HE2
GLU( 5 A 160) HE2
HIS( 5 A 161) HE2
HIS( 5 A 162) HD1
HIS( 5 A 163) HE2
HIS( 5 A 164) HE2
HIS( 5 A 165) HD1
HIS( 5 A 166) 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
HIS( 6 A 40) HD1
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
HIS( 6 A 156) HD1
GLU( 6 A 157) HE2
GLU( 6 A 160) HE2
HIS( 6 A 161) HE2
HIS( 6 A 162) HD1
HIS( 6 A 163) HD1
HIS( 6 A 164) HD1
HIS( 6 A 165) HE2
HIS( 6 A 166) 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
HIS( 7 A 40) HD1
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
HIS( 7 A 156) HD1
GLU( 7 A 157) HE2
GLU( 7 A 160) HE2
HIS( 7 A 161) HE2
HIS( 7 A 162) HE2
HIS( 7 A 163) HD1
HIS( 7 A 164) HE2
HIS( 7 A 165) HE2
HIS( 7 A 166) 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
HIS( 8 A 40) HD1
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
HIS( 8 A 156) HD1
GLU( 8 A 157) HE2
GLU( 8 A 160) HE2
HIS( 8 A 161) HE2
HIS( 8 A 162) HE2
HIS( 8 A 163) HD1
HIS( 8 A 164) HD1
HIS( 8 A 165) HE2
HIS( 8 A 166) HD1
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
HIS( 9 A 40) HD1
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
HIS( 9 A 156) HD1
GLU( 9 A 157) HE2
GLU( 9 A 160) HE2
HIS( 9 A 161) HD1
HIS( 9 A 162) HE2
HIS( 9 A 163) HE2
HIS( 9 A 164) HE2
HIS( 9 A 165) HE2
HIS( 9 A 166) 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
HIS( 10 A 40) HD1
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
HIS( 10 A 156) HD1
GLU( 10 A 157) HE2
GLU( 10 A 160) HE2
HIS( 10 A 161) HE2
HIS( 10 A 162) HE2
HIS( 10 A 163) HE2
HIS( 10 A 164) HD1
HIS( 10 A 165) HD1
HIS( 10 A 166) 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
HIS( 11 A 40) HD1
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
HIS( 11 A 156) HD1
GLU( 11 A 157) HE2
GLU( 11 A 160) HE2
HIS( 11 A 161) HE2
HIS( 11 A 162) HE2
HIS( 11 A 163) HD1
HIS( 11 A 164) HE2
HIS( 11 A 165) HE2
HIS( 11 A 166) HD1
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
HIS( 12 A 40) HD1
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
HIS( 12 A 156) HD1
GLU( 12 A 157) HE2
GLU( 12 A 160) HE2
HIS( 12 A 161) HD1
HIS( 12 A 162) HD1
HIS( 12 A 163) HE2
HIS( 12 A 164) HE2
HIS( 12 A 165) HD1
HIS( 12 A 166) HD1
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
HIS( 13 A 40) HD1
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
HIS( 13 A 156) HD1
GLU( 13 A 157) HE2
GLU( 13 A 160) HE2
HIS( 13 A 161) HD1
HIS( 13 A 162) HE2
HIS( 13 A 163) HD1
HIS( 13 A 164) HD1
HIS( 13 A 165) HE2
HIS( 13 A 166) 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
HIS( 14 A 40) HD1
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
HIS( 14 A 156) HD1
GLU( 14 A 157) HE2
GLU( 14 A 160) HE2
HIS( 14 A 161) HE2
HIS( 14 A 162) HE2
HIS( 14 A 163) HE2
HIS( 14 A 164) HD1
HIS( 14 A 165) HE2
HIS( 14 A 166) 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
HIS( 15 A 40) HD1
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
HIS( 15 A 156) HD1
GLU( 15 A 157) HE2
GLU( 15 A 160) HE2
HIS( 15 A 161) HD1
HIS( 15 A 162) HD1
HIS( 15 A 163) HE2
HIS( 15 A 164) HE2
HIS( 15 A 165) HD1
HIS( 15 A 166) 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
HIS( 16 A 40) HD1
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
HIS( 16 A 156) HD1
GLU( 16 A 157) HE2
GLU( 16 A 160) HE2
HIS( 16 A 161) HE2
HIS( 16 A 162) HD1
HIS( 16 A 163) HE2
HIS( 16 A 164) HE2
HIS( 16 A 165) HE2
HIS( 16 A 166) HD1
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
HIS( 17 A 40) HD1
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
HIS( 17 A 156) HD1
GLU( 17 A 157) HE2
GLU( 17 A 160) HE2
HIS( 17 A 161) HE2
HIS( 17 A 162) HD1
HIS( 17 A 163) HE2
HIS( 17 A 164) HE2
HIS( 17 A 165) HD1
HIS( 17 A 166) HD1
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
HIS( 18 A 40) HD1
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
HIS( 18 A 156) HD1
GLU( 18 A 157) HE2
GLU( 18 A 160) HE2
HIS( 18 A 161) HD1
HIS( 18 A 162) HD1
HIS( 18 A 163) HD1
HIS( 18 A 164) HD1
HIS( 18 A 165) HE2
HIS( 18 A 166) HD1
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
HIS( 19 A 40) HD1
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
HIS( 19 A 156) HD1
GLU( 19 A 157) HE2
GLU( 19 A 160) HE2
HIS( 19 A 161) HE2
HIS( 19 A 162) HE2
HIS( 19 A 163) HD1
HIS( 19 A 164) HE2
HIS( 19 A 165) HE2
HIS( 19 A 166) HD1
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
HIS( 20 A 40) HD1
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
HIS( 20 A 156) HD1
GLU( 20 A 157) HE2
GLU( 20 A 160) HE2
HIS( 20 A 161) HE2
HIS( 20 A 162) HD1
HIS( 20 A 163) HE2
HIS( 20 A 164) HD1
HIS( 20 A 165) HD1
HIS( 20 A 166) 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
CTR107_R3Cons_em_bcr3.pdb: Missing KEYWDS records
CTR107_R3Cons_em_bcr3.pdb: Missing TITLE record