Detailed results of HR41_NMR_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 3491
# INTRA-RESIDUE RESTRAINTS (I=J) : 668
# SEQUENTIAL RESTRAINTS (I-J)=1 : 916
# BACKBONE-BACKBONE : 200
# BACKBONE-SIDE CHAIN : 89
# SIDE CHAIN-SIDE CHAIN : 627
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 808
# BACKBONE-BACKBONE : 204
# BACKBONE-SIDE CHAIN : 182
# SIDE CHAIN-SIDE CHAIN : 422
# LONG RANGE RESTRAINTS (I-J)>=5 : 1099
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 3491
# 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
ALA 2 0 0.0 0.0 0.0 0.0 0.0
ASP 3 0 2.5 1.0 1.5 0.0 0.0
GLU 4 1 7.0 2.5 4.5 0.0 0.0
ALA 5 1 6.5 2.5 4.0 0.0 0.0
THR 6 3 16.0 3.5 8.5 4.0 0.0
ARG 7 5 12.0 4.0 8.0 0.0 0.0
ARG 8 2 13.0 5.5 7.5 0.0 0.0
VAL 9 4 17.0 6.0 9.5 1.5 0.0
VAL 10 4 22.5 7.0 11.0 4.5 0.0
SER 11 0 11.0 7.0 4.0 0.0 0.0
GLU 12 8 14.0 7.5 3.0 3.5 0.0
ILE 13 8 30.0 7.5 6.0 16.5 0.0
PRO 14 0 6.5 5.0 0.0 1.5 0.0
VAL 15 4 25.0 7.0 0.0 18.0 0.0
LEU 16 8 32.0 8.5 2.0 21.5 0.0
LYS 17 5 7.0 7.0 0.0 0.0 0.0
THR 18 1 15.0 5.0 2.5 7.5 0.0
ASN 19 3 12.0 4.5 0.0 7.5 0.0
ALA 20 0 14.5 3.0 3.0 8.5 0.0
GLY 21 0 6.0 2.0 3.0 1.0 0.0
PRO 22 0 21.0 3.5 1.0 16.5 0.0
ARG 23 10 12.0 7.0 1.0 4.0 0.0
ASP 24 3 22.5 6.5 16.0 0.0 0.0
ARG 25 10 9.5 5.0 4.5 0.0 0.0
GLU 26 2 14.0 7.0 7.0 0.0 0.0
LEU 27 9 30.0 8.5 16.5 5.0 0.0
TRP 28 7 49.5 9.0 17.5 23.0 0.0
VAL 29 4 20.0 6.5 13.5 0.0 0.0
GLN 30 5 23.5 3.5 17.5 2.5 0.0
ARG 31 3 15.5 4.5 7.0 4.0 0.0
LEU 32 9 37.5 7.5 20.0 10.0 0.0
LYS 33 10 23.0 9.0 14.0 0.0 0.0
GLU 34 8 20.5 7.5 7.5 5.5 0.0
GLU 35 4 15.5 6.5 5.5 3.5 0.0
TYR 36 3 25.0 7.0 16.5 1.5 0.0
GLN 37 13 18.5 6.5 11.5 0.5 0.0
SER 38 1 17.0 4.0 6.0 7.0 0.0
LEU 39 9 23.5 4.0 8.5 11.0 0.0
ILE 40 10 24.5 7.5 17.0 0.0 0.0
ARG 41 9 21.0 7.5 11.5 2.0 0.0
TYR 42 0 25.0 6.5 8.5 10.0 0.0
VAL 43 3 22.5 8.0 13.5 1.0 0.0
GLU 44 8 22.5 8.5 14.0 0.0 0.0
ASN 45 10 19.0 6.0 9.0 4.0 0.0
ASN 46 2 18.5 3.0 8.5 7.0 0.0
LYS 47 9 18.5 3.5 10.5 4.5 0.0
ASN 48 4 12.0 4.5 7.5 0.0 0.0
ALA 49 1 13.0 5.5 7.5 0.0 0.0
ASP 50 4 8.0 6.5 1.5 0.0 0.0
ASN 51 8 16.0 5.5 7.5 3.0 0.0
ASP 52 3 10.5 5.0 0.5 5.0 0.0
TRP 53 1 25.5 3.0 1.5 21.0 0.0
PHE 54 0 13.0 3.0 3.0 7.0 0.0
ARG 55 2 10.5 5.5 0.0 5.0 0.0
LEU 56 8 38.5 7.0 3.0 28.5 0.0
GLU 57 8 14.5 7.5 0.0 7.0 0.0
SER 58 1 15.5 6.0 5.5 4.0 0.0
ASN 59 3 15.5 4.5 3.0 8.0 0.0
LYS 60 3 10.5 9.5 1.0 0.0 0.0
GLU 61 7 21.5 10.5 7.5 3.5 0.0
GLY 62 0 18.0 4.0 9.5 4.5 0.0
THR 63 2 19.0 2.5 7.0 9.5 0.0
ARG 64 14 23.5 7.0 6.5 10.0 0.0
TRP 65 6 50.0 7.5 2.5 40.0 0.0
PHE 66 3 25.0 5.0 5.0 15.0 0.0
GLY 67 0 20.5 6.0 0.0 14.5 0.0
LYS 68 10 16.0 7.0 2.0 7.0 0.0
CYS 69 0 19.5 6.5 0.0 13.0 0.0
TRP 70 2 25.0 5.5 3.5 16.0 0.0
TYR 71 0 24.5 6.5 2.5 15.5 0.0
ILE 72 5 23.5 7.5 3.0 13.0 0.0
HIS 73 0 16.0 7.5 4.0 4.5 0.0
ASP 74 0 8.5 5.5 2.0 1.0 0.0
LEU 75 5 7.0 5.5 1.5 0.0 0.0
LEU 76 6 22.5 7.0 6.5 9.0 0.0
LYS 77 18 24.0 7.0 0.5 16.5 0.0
TYR 78 2 25.0 6.0 4.5 14.5 0.0
GLU 79 1 7.5 4.0 0.0 3.5 0.0
PHE 80 0 31.5 4.0 2.5 25.0 0.0
ASP 81 2 10.0 5.5 0.5 4.0 0.0
ILE 82 4 31.0 7.0 3.0 21.0 0.0
GLU 83 2 22.0 7.0 0.5 14.5 0.0
PHE 84 1 32.0 6.5 2.5 23.0 0.0
ASP 85 2 10.0 6.0 0.0 4.0 0.0
ILE 86 7 37.0 5.0 4.0 28.0 0.0
PRO 87 0 19.0 7.0 7.0 5.0 0.0
ILE 88 8 17.5 9.5 1.5 6.5 0.0
THR 89 2 12.0 7.0 5.0 0.0 0.0
TYR 90 6 26.5 5.5 10.0 11.0 0.0
PRO 91 0 13.0 3.5 0.5 9.0 0.0
THR 92 2 7.0 1.5 0.5 5.0 0.0
THR 93 2 14.0 5.0 3.0 6.0 0.0
ALA 94 1 18.0 5.5 1.5 11.0 0.0
PRO 95 0 25.5 4.0 0.0 21.5 0.0
GLU 96 7 7.5 5.0 0.0 2.5 0.0
ILE 97 5 30.0 7.5 0.0 22.5 0.0
ALA 98 1 18.0 6.0 3.5 8.5 0.0
VAL 99 0 32.0 6.0 8.0 18.0 0.0
PRO 100 0 14.5 7.5 4.0 3.0 0.0
GLU 101 3 12.0 7.0 3.0 2.0 0.0
LEU 102 3 26.5 6.0 9.5 11.0 0.0
ASP 103 3 8.0 4.0 3.0 1.0 0.0
GLY 104 0 3.0 2.5 0.0 0.5 0.0
LYS 105 12 12.0 3.5 4.5 4.0 0.0
THR 106 1 13.0 6.0 2.0 5.0 0.0
ALA 107 0 4.0 4.0 0.0 0.0 0.0
LYS 108 0 1.5 1.0 0.5 0.0 0.0
MET 109 0 11.5 0.0 1.5 10.0 0.0
TYR 110 0 6.0 1.5 2.0 2.5 0.0
ARG 111 1 5.0 5.0 0.0 0.0 0.0
GLY 112 0 4.0 4.0 0.0 0.0 0.0
GLY 113 0 1.5 1.0 0.5 0.0 0.0
LYS 114 11 12.5 5.0 2.0 5.5 0.0
ILE 115 6 30.5 7.0 2.0 21.5 0.0
CYS 116 2 5.5 4.5 0.0 1.0 0.0
LEU 117 7 22.0 6.0 6.0 10.0 0.0
THR 118 2 10.0 6.0 4.0 0.0 0.0
ASP 119 2 5.0 2.5 2.5 0.0 0.0
HIS 120 0 5.5 1.0 4.5 0.0 0.0
PHE 121 2 27.0 5.5 13.5 8.0 0.0
LYS 122 18 18.0 12.0 5.5 0.5 0.0
PRO 123 0 15.5 10.0 5.5 0.0 0.0
LEU 124 8 30.0 8.5 17.5 4.0 0.0
TRP 125 6 35.0 9.0 7.5 18.5 0.0
ALA 126 1 12.0 4.5 7.5 0.0 0.0
ARG 127 10 18.5 10.0 8.5 0.0 0.0
ASN 128 4 20.0 11.5 8.5 0.0 0.0
VAL 129 2 23.0 5.0 8.5 9.5 0.0
PRO 130 0 5.5 2.5 0.5 2.5 0.0
LYS 131 17 18.5 2.5 1.5 14.5 0.0
PHE 132 2 20.5 5.0 4.5 11.0 0.0
GLY 133 0 10.5 3.5 3.5 3.5 0.0
LEU 134 3 26.5 3.5 5.5 17.5 0.0
ALA 135 0 19.0 3.5 4.5 11.0 0.0
HIS 136 4 26.0 3.0 11.5 11.5 0.0
LEU 137 6 37.5 5.5 9.0 23.0 0.0
MET 138 2 10.5 6.0 3.5 1.0 0.0
ALA 139 1 15.5 4.5 5.0 6.0 0.0
LEU 140 6 18.5 5.0 3.5 10.0 0.0
GLY 141 0 10.5 4.0 3.5 3.0 0.0
LEU 142 9 26.5 4.5 8.5 13.5 0.0
GLY 143 1 11.0 5.5 3.5 2.0 0.0
PRO 144 0 6.0 4.0 2.0 0.0 0.0
TRP 145 4 34.5 8.5 12.0 14.0 0.0
LEU 146 6 27.5 10.0 6.0 11.5 0.0
ALA 147 1 10.0 4.0 4.5 1.5 0.0
VAL 148 5 7.5 3.0 4.5 0.0 0.0
GLU 149 6 7.0 5.0 2.0 0.0 0.0
ILE 150 4 28.5 5.0 10.0 13.5 0.0
PRO 151 0 10.0 2.5 5.0 2.5 0.0
ASP 152 0 5.5 1.5 4.0 0.0 0.0
LEU 153 7 17.5 4.5 7.0 6.0 0.0
ILE 154 10 27.5 7.5 8.0 12.0 0.0
GLN 155 1 7.5 6.0 1.5 0.0 0.0
LYS 156 21 12.5 4.5 8.0 0.0 0.0
GLY 157 0 4.0 3.5 0.5 0.0 0.0
VAL 158 2 13.0 2.5 5.5 5.0 0.0
ILE 159 6 19.5 6.0 0.0 13.5 0.0
GLN 160 7 7.5 7.5 0.0 0.0 0.0
HIS 161 0 8.0 6.0 0.0 2.0 0.0
LYS 162 4 4.5 4.5 0.0 0.0 0.0
GLU 163 3 6.5 4.5 0.5 1.5 0.0
LYS 164 13 11.5 6.5 0.0 5.0 0.0
CYS 165 0 6.5 5.5 0.5 0.5 0.0
ASN 166 0 3.0 3.0 0.0 0.0 0.0
GLN 167 4 4.5 4.5 0.0 0.0 0.0
LEU 168 9 7.5 7.5 0.0 0.0 0.0
GLU 169 3 4.5 4.5 0.0 0.0 0.0
HIS 170 0 0.0 0.0 0.0 0.0 0.0
HIS 171 0 0.0 0.0 0.0 0.0 0.0
HIS 172 0 0.0 0.0 0.0 0.0 0.0
HIS 173 0 0.0 0.0 0.0 0.0 0.0
HIS 174 0 0.0 0.0 0.0 0.0 0.0
HIS 175 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 668 2823.0 916.0 808.0 1099.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 3491.0
List of conformationally-resticting NOE constraints
assign ((resid 3 and name HA )) ( (resid 4 and name HN )) 2.49 0.69 0.69
assign ((resid 4 and name HN )) ( (resid 5 and name HN )) 2.81 1.02 1.02
assign ((resid 5 and name HN )) ( (resid 7 and name HN )) 3.45 1.66 1.66
assign ((resid 5 and name HN )) ( (resid 6 and name HN )) 2.69 0.90 0.90
assign ((resid 6 and name HN )) ( (resid 7 and name HN )) 2.67 0.88 0.88
assign ((resid 6 and name HN )) ( (resid 8 and name HN )) 3.16 1.37 1.37
assign ((resid 5 and name HA )) ( (resid 7 and name HN )) 3.35 1.55 1.55
assign ((resid 7 and name HN )) ( (resid 7 and name HB* )) 2.84 1.05 1.05
assign ((resid 7 and name HN )) ( (resid 8 and name HN )) 2.69 0.90 0.90
assign ((resid 4 and name HA )) ( (resid 8 and name HN )) 3.35 1.55 1.55
assign ((resid 5 and name HA )) ( (resid 8 and name HN )) 3.02 1.22 1.22
assign ((resid 6 and name HA )) ( (resid 8 and name HN )) 3.68 1.88 1.88
assign ((resid 8 and name HN )) ( (resid 9 and name HN )) 2.69 0.90 0.90
assign ((resid 8 and name HN )) ( (resid 10 and name HN )) 4.15 2.35 2.35
assign ((resid 5 and name HA )) ( (resid 9 and name HN )) 3.47 1.68 1.68
assign ((resid 7 and name HN )) ( (resid 9 and name HN )) 4.15 2.35 2.35
assign ((resid 7 and name HA )) ( (resid 9 and name HN )) 4.15 2.35 2.35
assign ((resid 8 and name HB* )) ( (resid 9 and name HN )) 3.13 1.34 1.34
assign ((resid 9 and name HN )) ( (resid 9 and name HB )) 2.40 0.61 0.61
assign ((resid 9 and name HN )) ( (resid 10 and name HN )) 2.65 0.86 0.86
assign ((resid 6 and name HA )) ( (resid 10 and name HN )) 3.51 1.72 1.72
assign ((resid 7 and name HA )) ( (resid 10 and name HN )) 3.31 1.51 1.51
assign ((resid 8 and name HA )) ( (resid 10 and name HN )) 3.41 1.61 1.61
assign ((resid 7 and name HA )) ( (resid 11 and name HN )) 3.27 1.47 1.47
assign ((resid 8 and name HA )) ( (resid 11 and name HN )) 2.90 1.10 1.10
assign ((resid 9 and name HN )) ( (resid 11 and name HN )) 3.74 1.94 1.94
assign ((resid 9 and name HA )) ( (resid 11 and name HN )) 4.15 2.35 2.35
assign ((resid 10 and name HN )) ( (resid 11 and name HN )) 2.59 0.79 0.79
assign ((resid 10 and name HA )) ( (resid 11 and name HN )) 2.65 0.86 0.86
assign ((resid 10 and name HB )) ( (resid 11 and name HN )) 2.55 0.75 0.75
assign ((resid 11 and name HN )) ( (resid 12 and name HN )) 2.49 0.69 0.69
assign ((resid 12 and name HN )) ( (resid 12 and name HB2 )) 2.57 0.77 0.77
assign ((resid 12 and name HN )) ( (resid 13 and name HN )) 2.51 0.71 0.71
assign ((resid 12 and name HB2 )) ( (resid 13 and name HN )) 2.96 1.16 1.16
assign ((resid 13 and name HN )) ( (resid 13 and name HB )) 2.40 0.61 0.61
assign ((resid 14 and name HA )) ( (resid 15 and name HN )) 2.20 0.40 0.40
assign ((resid 14 and name HB2 )) ( (resid 15 and name HN )) 3.08 1.29 1.29
assign ((resid 14 and name HB1 )) ( (resid 15 and name HN )) 3.08 1.29 1.29
assign ((resid 15 and name HN )) ( (resid 15 and name HB )) 2.79 1.00 1.00
assign ((resid 15 and name HN )) ( (resid 16 and name HN )) 3.49 1.70 1.70
assign ((resid 15 and name HA )) ( (resid 16 and name HN )) 2.32 0.53 0.53
assign ((resid 15 and name HB )) ( (resid 16 and name HN )) 2.51 0.71 0.71
assign ((resid 16 and name HN )) ( (resid 16 and name HB2 )) 2.63 0.84 0.84
assign ((resid 16 and name HN )) ( (resid 16 and name HB1 )) 2.79 1.00 1.00
assign ((resid 16 and name HN )) ( (resid 17 and name HN )) 4.15 2.35 2.35
assign ((resid 16 and name HB2 )) ( (resid 17 and name HN )) 3.04 1.25 1.25
assign ((resid 16 and name HB1 )) ( (resid 17 and name HN )) 2.94 1.14 1.14
assign ((resid 17 and name HN )) ( (resid 18 and name HN )) 2.61 0.81 0.81
assign ((resid 18 and name HN )) ( (resid 19 and name HN )) 4.15 2.35 2.35
assign ((resid 18 and name HA )) ( (resid 19 and name HN )) 2.67 0.88 0.88
assign ((resid 18 and name HB )) ( (resid 19 and name HN )) 3.39 1.59 1.59
assign ((resid 19 and name HN )) ( (resid 19 and name HB2 )) 2.90 1.10 1.10
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 4.04 2.25 2.25
assign ((resid 19 and name HB1 )) ( (resid 20 and name HN )) 3.22 1.43 1.43
assign ((resid 19 and name HB2 )) ( (resid 20 and name HN )) 3.98 2.19 2.19
assign ((resid 20 and name HN )) ( (resid 21 and name HN )) 3.22 1.43 1.43
assign ((resid 22 and name HB2 )) ( (resid 23 and name HN )) 3.20 1.41 1.41
assign ((resid 22 and name HB1 )) ( (resid 23 and name HN )) 3.20 1.41 1.41
assign ((resid 23 and name HN )) ( (resid 23 and name HB2 )) 2.40 0.61 0.61
assign ((resid 23 and name HN )) ( (resid 23 and name HB1 )) 2.69 0.90 0.90
assign ((resid 23 and name HN )) ( (resid 24 and name HN )) 2.43 0.63 0.63
assign ((resid 23 and name HB2 )) ( (resid 24 and name HN )) 2.81 1.02 1.02
assign ((resid 23 and name HB1 )) ( (resid 24 and name HN )) 3.43 1.63 1.63
assign ((resid 24 and name HN )) ( (resid 24 and name HB2 )) 2.79 1.00 1.00
assign ((resid 24 and name HN )) ( (resid 24 and name HB1 )) 2.79 1.00 1.00
assign ((resid 24 and name HN )) ( (resid 25 and name HN )) 3.04 1.25 1.25
assign ((resid 24 and name HA )) ( (resid 25 and name HN )) 2.51 0.71 0.71
assign ((resid 24 and name HB2 )) ( (resid 25 and name HN )) 3.25 1.45 1.45
assign ((resid 24 and name HB1 )) ( (resid 25 and name HN )) 3.25 1.45 1.45
assign ((resid 25 and name HN )) ( (resid 25 and name HB1 )) 2.77 0.98 0.98
assign ((resid 25 and name HN )) ( (resid 25 and name HB2 )) 2.61 0.81 0.81
assign ((resid 25 and name HN )) ( (resid 26 and name HN )) 2.86 1.06 1.06
assign ((resid 25 and name HN )) ( (resid 27 and name HN )) 3.66 1.86 1.86
assign ((resid 24 and name HA )) ( (resid 26 and name HN )) 3.45 1.66 1.66
assign ((resid 26 and name HN )) ( (resid 27 and name HN )) 2.45 0.65 0.65
assign ((resid 25 and name HA )) ( (resid 27 and name HN )) 3.72 1.92 1.92
assign ((resid 26 and name HB* )) ( (resid 27 and name HN )) 3.11 1.32 1.32
assign ((resid 27 and name HN )) ( (resid 27 and name HB2 )) 2.71 0.92 0.92
assign ((resid 27 and name HN )) ( (resid 27 and name HB1 )) 2.71 0.92 0.92
assign ((resid 27 and name HN )) ( (resid 28 and name HN )) 2.90 1.10 1.10
assign ((resid 27 and name HN )) ( (resid 29 and name HN )) 3.29 1.49 1.49
assign ((resid 24 and name HA )) ( (resid 28 and name HN )) 4.00 2.21 2.21
assign ((resid 26 and name HN )) ( (resid 28 and name HN )) 3.59 1.80 1.80
assign ((resid 26 and name HA )) ( (resid 28 and name HN )) 3.25 1.45 1.45
assign ((resid 27 and name HB2 )) ( (resid 28 and name HN )) 2.77 0.98 0.98
assign ((resid 27 and name HB1 )) ( (resid 28 and name HN )) 2.77 0.98 0.98
assign ((resid 28 and name HN )) ( (resid 28 and name HB2 )) 2.49 0.69 0.69
assign ((resid 28 and name HN )) ( (resid 28 and name HB1 )) 2.49 0.69 0.69
assign ((resid 28 and name HN )) ( (resid 29 and name HN )) 2.43 0.63 0.63
assign ((resid 26 and name HA )) ( (resid 29 and name HN )) 2.81 1.02 1.02
assign ((resid 28 and name HB2 )) ( (resid 29 and name HN )) 2.92 1.12 1.12
assign ((resid 28 and name HB1 )) ( (resid 29 and name HN )) 2.92 1.12 1.12
assign ((resid 29 and name HN )) ( (resid 29 and name HB )) 2.28 0.49 0.49
assign ((resid 29 and name HN )) ( (resid 31 and name HN )) 3.39 1.59 1.59
assign ((resid 26 and name HA )) ( (resid 30 and name HN )) 3.84 2.04 2.04
assign ((resid 27 and name HA )) ( (resid 30 and name HN )) 2.65 0.86 0.86
assign ((resid 28 and name HN )) ( (resid 30 and name HN )) 3.12 1.33 1.33
assign ((resid 28 and name HA )) ( (resid 30 and name HN )) 3.66 1.86 1.86
assign ((resid 29 and name HN )) ( (resid 30 and name HN )) 2.43 0.63 0.63
assign ((resid 30 and name HN )) ( (resid 30 and name HB* )) 2.80 1.01 1.01
assign ((resid 30 and name HN )) ( (resid 31 and name HN )) 2.45 0.65 0.65
assign ((resid 30 and name HN )) ( (resid 32 and name HN )) 3.02 1.22 1.22
assign ((resid 27 and name HA )) ( (resid 31 and name HN )) 3.80 2.00 2.00
assign ((resid 28 and name HA )) ( (resid 31 and name HN )) 3.20 1.41 1.41
assign ((resid 29 and name HA )) ( (resid 31 and name HN )) 3.98 2.19 2.19
assign ((resid 31 and name HN )) ( (resid 31 and name HB1 )) 2.86 1.06 1.06
assign ((resid 31 and name HN )) ( (resid 31 and name HB2 )) 2.79 1.00 1.00
assign ((resid 31 and name HN )) ( (resid 32 and name HN )) 2.67 0.88 0.88
assign ((resid 28 and name HA )) ( (resid 32 and name HN )) 4.02 2.23 2.23
assign ((resid 30 and name HA )) ( (resid 32 and name HN )) 3.49 1.70 1.70
assign ((resid 31 and name HB1 )) ( (resid 32 and name HN )) 3.08 1.29 1.29
assign ((resid 31 and name HB2 )) ( (resid 32 and name HN )) 3.08 1.29 1.29
assign ((resid 29 and name HA )) ( (resid 33 and name HN )) 3.18 1.39 1.39
assign ((resid 30 and name HA )) ( (resid 33 and name HN )) 2.92 1.12 1.12
assign ((resid 31 and name HN )) ( (resid 33 and name HN )) 3.18 1.39 1.39
assign ((resid 31 and name HA )) ( (resid 33 and name HN )) 4.15 2.35 2.35
assign ((resid 32 and name HN )) ( (resid 33 and name HN )) 2.55 0.75 0.75
assign ((resid 32 and name HB1 )) ( (resid 33 and name HN )) 2.65 0.86 0.86
assign ((resid 33 and name HN )) ( (resid 33 and name HB* )) 2.82 1.03 1.03
assign ((resid 33 and name HN )) ( (resid 34 and name HN )) 2.43 0.63 0.63
assign ((resid 30 and name HA )) ( (resid 34 and name HN )) 3.66 1.86 1.86
assign ((resid 31 and name HA )) ( (resid 34 and name HN )) 3.20 1.41 1.41
assign ((resid 32 and name HN )) ( (resid 34 and name HN )) 3.29 1.49 1.49
assign ((resid 32 and name HA )) ( (resid 34 and name HN )) 3.98 2.19 2.19
assign ((resid 33 and name HB* )) ( (resid 34 and name HN )) 3.13 1.34 1.34
assign ((resid 34 and name HN )) ( (resid 34 and name HB1 )) 2.69 0.90 0.90
assign ((resid 34 and name HN )) ( (resid 34 and name HB2 )) 2.38 0.59 0.59
assign ((resid 34 and name HN )) ( (resid 36 and name HN )) 3.51 1.72 1.72
assign ((resid 32 and name HA )) ( (resid 35 and name HN )) 2.81 1.02 1.02
assign ((resid 33 and name HN )) ( (resid 35 and name HN )) 3.31 1.51 1.51
assign ((resid 33 and name HA )) ( (resid 35 and name HN )) 3.51 1.72 1.72
assign ((resid 34 and name HN )) ( (resid 35 and name HN )) 2.49 0.69 0.69
assign ((resid 34 and name HB1 )) ( (resid 35 and name HN )) 2.88 1.08 1.08
assign ((resid 34 and name HB2 )) ( (resid 35 and name HN )) 2.47 0.67 0.67
assign ((resid 35 and name HN )) ( (resid 36 and name HN )) 2.53 0.73 0.73
assign ((resid 35 and name HN )) ( (resid 37 and name HN )) 3.16 1.37 1.37
assign ((resid 32 and name HA )) ( (resid 36 and name HN )) 2.98 1.18 1.18
assign ((resid 33 and name HA )) ( (resid 36 and name HN )) 2.86 1.06 1.06
assign ((resid 34 and name HA )) ( (resid 36 and name HN )) 3.80 2.00 2.00
assign ((resid 35 and name HB2 )) ( (resid 36 and name HN )) 2.96 1.16 1.16
assign ((resid 35 and name HB1 )) ( (resid 36 and name HN )) 2.96 1.16 1.16
assign ((resid 36 and name HN )) ( (resid 36 and name HB2 )) 2.34 0.55 0.55
assign ((resid 36 and name HN )) ( (resid 36 and name HB1 )) 2.67 0.88 0.88
assign ((resid 33 and name HA )) ( (resid 37 and name HN )) 3.33 1.53 1.53
assign ((resid 35 and name HA )) ( (resid 37 and name HN )) 4.15 2.35 2.35
assign ((resid 36 and name HN )) ( (resid 37 and name HN )) 2.47 0.67 0.67
assign ((resid 36 and name HB2 )) ( (resid 37 and name HN )) 2.59 0.79 0.79
assign ((resid 36 and name HB1 )) ( (resid 37 and name HN )) 2.86 1.06 1.06
assign ((resid 37 and name HN )) ( (resid 37 and name HB2 )) 2.38 0.59 0.59
assign ((resid 34 and name HA )) ( (resid 38 and name HN )) 3.90 2.11 2.11
assign ((resid 35 and name HA )) ( (resid 38 and name HN )) 3.06 1.27 1.27
assign ((resid 36 and name HN )) ( (resid 38 and name HN )) 3.12 1.33 1.33
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assign ((resid 6 and name HA )) ( (resid 9 and name HG1* )) 3.51 1.71 1.71
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assign ((resid 82 and name HB )) ( (resid 99 and name HG* )) 4.78 2.98 2.98
assign ((resid 82 and name HG2* )) ( (resid 99 and name HG* )) 4.42 2.63 2.63
assign ((resid 82 and name HD1* )) ( (resid 142 and name HD* )) 4.30 2.51 2.51
assign ((resid 83 and name HN )) ( (resid 99 and name HG* )) 4.90 3.10 3.10
assign ((resid 83 and name HN )) ( (resid 100 and name HD* )) 3.41 1.61 1.61
assign ((resid 84 and name HB* )) ( (resid 85 and name HN )) 2.89 1.10 1.10
assign ((resid 84 and name HB* )) ( (resid 97 and name HA )) 3.70 1.91 1.91
assign ((resid 84 and name HB* )) ( (resid 97 and name HG2* )) 5.10 3.30 3.30
assign ((resid 84 and name HB* )) ( (resid 98 and name HN )) 3.74 1.95 1.95
assign ((resid 84 and name HD* )) ( (resid 95 and name HG* )) 5.66 3.86 3.86
assign ((resid 86 and name HN )) ( (resid 87 and name HD* )) 4.51 2.72 2.72
assign ((resid 86 and name HG2* )) ( (resid 87 and name HD* )) 4.12 2.32 2.32
assign ((resid 86 and name HD1* )) ( (resid 87 and name HD* )) 3.83 2.04 2.04
assign ((resid 86 and name HD1* )) ( (resid 95 and name HB* )) 4.52 2.72 2.72
assign ((resid 86 and name HD1* )) ( (resid 95 and name HG* )) 3.61 1.82 1.82
assign ((resid 87 and name HB* )) ( (resid 88 and name HN )) 3.01 1.22 1.22
assign ((resid 87 and name HB* )) ( (resid 89 and name HG2* )) 5.10 3.30 3.30
assign ((resid 87 and name HB* )) ( (resid 90 and name HN )) 3.91 2.11 2.11
assign ((resid 87 and name HG* )) ( (resid 89 and name HG2* )) 5.10 3.31 3.31
assign ((resid 87 and name HG* )) ( (resid 90 and name HN )) 3.49 1.69 1.69
assign ((resid 87 and name HG* )) ( (resid 90 and name HB1 )) 4.59 2.80 2.80
assign ((resid 87 and name HG* )) ( (resid 93 and name HN )) 4.20 2.41 2.41
assign ((resid 87 and name HG* )) ( (resid 93 and name HB )) 3.79 1.99 1.99
assign ((resid 87 and name HG* )) ( (resid 93 and name HG2* )) 4.06 2.26 2.26
assign ((resid 87 and name HG* )) ( (resid 95 and name HA )) 3.23 1.44 1.44
assign ((resid 87 and name HD* )) ( (resid 90 and name HN )) 4.59 2.80 2.80
assign ((resid 87 and name HD* )) ( (resid 90 and name HD1 )) 4.59 2.80 2.80
assign ((resid 88 and name HN )) ( (resid 88 and name HG1* )) 2.70 0.90 0.90
assign ((resid 88 and name HG1* )) ( (resid 89 and name HN )) 3.75 1.96 1.96
assign ((resid 90 and name HD1 )) ( (resid 95 and name HG* )) 4.59 2.80 2.80
assign ((resid 90 and name HD1 )) ( (resid 95 and name HD* )) 3.91 2.11 2.11
assign ((resid 90 and name HE1 )) ( (resid 95 and name HG* )) 4.49 2.69 2.69
assign ((resid 90 and name HE1 )) ( (resid 95 and name HD* )) 3.34 1.55 1.55
assign ((resid 90 and name HE2 )) ( (resid 91 and name HB* )) 4.59 2.79 2.79
assign ((resid 90 and name HE2 )) ( (resid 91 and name HG* )) 4.59 2.80 2.80
assign ((resid 90 and name HD2 )) ( (resid 91 and name HB* )) 4.59 2.79 2.79
assign ((resid 90 and name HD2 )) ( (resid 91 and name HG* )) 4.59 2.80 2.80
assign ((resid 91 and name HB* )) ( (resid 129 and name HG1* )) 4.32 2.52 2.52
assign ((resid 91 and name HB* )) ( (resid 132 and name HN )) 4.59 2.79 2.79
assign ((resid 94 and name HN )) ( (resid 95 and name HD* )) 4.28 2.49 2.49
assign ((resid 94 and name HB* )) ( (resid 95 and name HD* )) 2.99 1.20 1.20
assign ((resid 95 and name HB* )) ( (resid 96 and name HN )) 3.03 1.23 1.23
assign ((resid 95 and name HB* )) ( (resid 134 and name HD1* )) 4.89 3.10 3.10
assign ((resid 95 and name HB* )) ( (resid 137 and name HD2* )) 3.71 1.92 1.92
assign ((resid 95 and name HG* )) ( (resid 134 and name HD1* )) 3.20 1.41 1.41
assign ((resid 95 and name HG* )) ( (resid 137 and name HD2* )) 3.59 1.79 1.79
assign ((resid 95 and name HD* )) ( (resid 125 and name HZ2 )) 4.14 2.35 2.35
assign ((resid 95 and name HD* )) ( (resid 134 and name HD1* )) 4.41 2.62 2.62
assign ((resid 95 and name HD* )) ( (resid 137 and name HD1* )) 3.91 2.11 2.11
assign ((resid 95 and name HD* )) ( (resid 137 and name HD2* )) 3.63 1.84 1.84
assign ((resid 96 and name HN )) ( (resid 96 and name HG* )) 2.75 0.96 0.96
assign ((resid 96 and name HB2 )) ( (resid 114 and name HB* )) 3.46 1.66 1.66
assign ((resid 96 and name HB2 )) ( (resid 114 and name HG* )) 3.91 2.12 2.12
assign ((resid 96 and name HB1 )) ( (resid 114 and name HB* )) 3.95 2.16 2.16
assign ((resid 96 and name HB1 )) ( (resid 114 and name HG* )) 4.59 2.79 2.79
assign ((resid 96 and name HG* )) ( (resid 97 and name HN )) 3.67 1.88 1.88
assign ((resid 96 and name HG* )) ( (resid 114 and name HB* )) 4.86 3.07 3.07
assign ((resid 97 and name HD1* )) ( (resid 142 and name HD* )) 4.79 3.00 3.00
assign ((resid 98 and name HB* )) ( (resid 99 and name HG* )) 5.94 4.15 4.15
assign ((resid 98 and name HB* )) ( (resid 100 and name HG* )) 3.95 2.15 2.15
assign ((resid 98 and name HB* )) ( (resid 100 and name HD* )) 3.42 1.62 1.62
assign ((resid 99 and name HN )) ( (resid 100 and name HD* )) 4.35 2.55 2.55
assign ((resid 99 and name HA )) ( (resid 100 and name HD* )) 2.54 0.75 0.75
assign ((resid 99 and name HG* )) ( (resid 100 and name HD* )) 4.14 2.35 2.35
assign ((resid 99 and name HG1* )) ( (resid 100 and name HD2 )) 4.91 3.12 3.12
assign ((resid 99 and name HG* )) ( (resid 101 and name HN )) 4.04 2.24 2.24
assign ((resid 99 and name HG* )) ( (resid 101 and name HB2 )) 5.43 3.64 3.64
assign ((resid 99 and name HG* )) ( (resid 101 and name HB1 )) 5.33 3.53 3.53
assign ((resid 99 and name HG* )) ( (resid 101 and name HG* )) 4.75 2.95 2.95
assign ((resid 99 and name HG* )) ( (resid 102 and name HN )) 3.62 1.83 1.83
assign ((resid 99 and name HG* )) ( (resid 102 and name HG )) 3.67 1.88 1.88
assign ((resid 99 and name HG* )) ( (resid 102 and name HD1* )) 3.76 1.97 1.97
assign ((resid 99 and name HG* )) ( (resid 102 and name HD2* )) 4.55 2.75 2.75
assign ((resid 99 and name HG* )) ( (resid 103 and name HN )) 5.43 3.64 3.64
assign ((resid 99 and name HG* )) ( (resid 109 and name HE* )) 4.63 2.83 2.83
assign ((resid 99 and name HG* )) ( (resid 115 and name HB )) 5.43 3.64 3.64
assign ((resid 99 and name HG* )) ( (resid 115 and name HG2* )) 4.47 2.68 2.68
assign ((resid 99 and name HG* )) ( (resid 115 and name HD1* )) 5.66 3.86 3.86
assign ((resid 99 and name HG* )) ( (resid 142 and name HD* )) 6.30 4.51 4.51
assign ((resid 99 and name HG* )) ( (resid 145 and name HZ3 )) 5.23 3.43 3.43
assign ((resid 99 and name HG* )) ( (resid 145 and name HZ2 )) 5.43 3.64 3.64
assign ((resid 100 and name HG* )) ( (resid 101 and name HN )) 3.49 1.70 1.70
assign ((resid 100 and name HD* )) ( (resid 101 and name HN )) 3.48 1.68 1.68
assign ((resid 102 and name HD2* )) ( (resid 105 and name HB* )) 3.85 2.05 2.05
assign ((resid 102 and name HD2* )) ( (resid 105 and name HG* )) 4.58 2.79 2.79
assign ((resid 103 and name HN )) ( (resid 103 and name HB* )) 2.53 0.74 0.74
assign ((resid 105 and name HN )) ( (resid 105 and name HB* )) 2.68 0.89 0.89
assign ((resid 105 and name HN )) ( (resid 158 and name HG* )) 5.37 3.58 3.58
assign ((resid 105 and name HA )) ( (resid 105 and name HG* )) 2.87 1.08 1.08
assign ((resid 105 and name HA )) ( (resid 158 and name HG* )) 4.35 2.55 2.55
assign ((resid 105 and name HB* )) ( (resid 105 and name HE* )) 4.04 2.24 2.24
assign ((resid 105 and name HB* )) ( (resid 158 and name HG* )) 4.17 2.38 2.38
assign ((resid 105 and name HG* )) ( (resid 106 and name HN )) 4.59 2.79 2.79
assign ((resid 105 and name HD* )) ( (resid 158 and name HG* )) 3.89 2.10 2.10
assign ((resid 105 and name HE* )) ( (resid 158 and name HG* )) 4.64 2.85 2.85
assign ((resid 106 and name HB )) ( (resid 158 and name HG* )) 5.43 3.64 3.64
assign ((resid 109 and name HG* )) ( (resid 115 and name HA )) 4.55 2.75 2.75
assign ((resid 109 and name HG* )) ( (resid 115 and name HG2* )) 4.63 2.83 2.83
assign ((resid 110 and name HD* )) ( (resid 114 and name HB* )) 5.59 3.80 3.80
assign ((resid 110 and name HD* )) ( (resid 114 and name HG* )) 5.65 3.86 3.86
assign ((resid 110 and name HD* )) ( (resid 114 and name HD* )) 5.65 3.86 3.86
assign ((resid 110 and name HE* )) ( (resid 114 and name HB* )) 5.65 3.86 3.86
assign ((resid 111 and name HA )) ( (resid 111 and name HG* )) 2.87 1.08 1.08
assign ((resid 111 and name HG* )) ( (resid 112 and name HN )) 3.89 2.09 2.09
assign ((resid 114 and name HN )) ( (resid 114 and name HB* )) 2.71 0.91 0.91
assign ((resid 114 and name HN )) ( (resid 114 and name HG* )) 2.95 1.16 1.16
assign ((resid 114 and name HB* )) ( (resid 115 and name HN )) 3.14 1.34 1.34
assign ((resid 114 and name HG* )) ( (resid 115 and name HN )) 3.99 2.19 2.19
assign ((resid 115 and name HG2* )) ( (resid 142 and name HD* )) 5.18 3.39 3.39
assign ((resid 115 and name HD1* )) ( (resid 142 and name HD* )) 4.07 2.27 2.27
assign ((resid 115 and name HD1* )) ( (resid 145 and name HB* )) 4.44 2.64 2.64
assign ((resid 117 and name HD1* )) ( (resid 121 and name HB* )) 4.59 2.80 2.80
assign ((resid 117 and name HD2* )) ( (resid 121 and name HB* )) 4.50 2.71 2.71
assign ((resid 117 and name HD2* )) ( (resid 145 and name HB* )) 3.51 1.71 1.71
assign ((resid 118 and name HG2* )) ( (resid 121 and name HB* )) 3.95 2.16 2.16
assign ((resid 119 and name HA )) ( (resid 122 and name HG* )) 4.51 2.71 2.71
assign ((resid 120 and name HA )) ( (resid 123 and name HD* )) 3.72 1.93 1.93
assign ((resid 121 and name HB* )) ( (resid 122 and name HN )) 3.02 1.23 1.23
assign ((resid 121 and name HB* )) ( (resid 124 and name HD2* )) 5.10 3.30 3.30
assign ((resid 121 and name HD* )) ( (resid 122 and name HG* )) 4.82 3.02 3.02
assign ((resid 121 and name HD* )) ( (resid 122 and name HD* )) 5.65 3.86 3.86
assign ((resid 122 and name HN )) ( (resid 122 and name HG* )) 3.05 1.25 1.25
assign ((resid 122 and name HN )) ( (resid 123 and name HD* )) 3.29 1.50 1.50
assign ((resid 122 and name HA )) ( (resid 122 and name HG* )) 2.58 0.78 0.78
assign ((resid 122 and name HA )) ( (resid 122 and name HD* )) 3.28 1.48 1.48
assign ((resid 122 and name HB2 )) ( (resid 123 and name HD* )) 2.94 1.15 1.15
assign ((resid 122 and name HB1 )) ( (resid 123 and name HD* )) 2.82 1.03 1.03
assign ((resid 122 and name HG* )) ( (resid 123 and name HD* )) 4.56 2.77 2.77
assign ((resid 122 and name HG1 )) ( (resid 123 and name HD2 )) 5.03 3.24 3.24
assign ((resid 122 and name HG1 )) ( (resid 123 and name HD1 )) 5.03 3.24 3.24
assign ((resid 123 and name HG* )) ( (resid 124 and name HN )) 3.39 1.60 1.60
assign ((resid 124 and name HA )) ( (resid 127 and name HB* )) 3.05 1.25 1.25
assign ((resid 124 and name HA )) ( (resid 127 and name HG* )) 3.69 1.90 1.90
assign ((resid 127 and name HN )) ( (resid 127 and name HB* )) 2.58 0.79 0.79
assign ((resid 127 and name HN )) ( (resid 127 and name HG* )) 3.09 1.29 1.29
assign ((resid 127 and name HA )) ( (resid 127 and name HG* )) 2.61 0.81 0.81
assign ((resid 127 and name HB* )) ( (resid 128 and name HN )) 2.90 1.10 1.10
assign ((resid 127 and name HB* )) ( (resid 128 and name HD22 )) 3.93 2.13 2.13
assign ((resid 127 and name HG* )) ( (resid 128 and name HN )) 3.81 2.01 2.01
assign ((resid 127 and name HG* )) ( (resid 128 and name HD21 )) 4.42 2.63 2.63
assign ((resid 127 and name HG* )) ( (resid 128 and name HD22 )) 4.59 2.79 2.79
assign ((resid 130 and name HB* )) ( (resid 132 and name HN )) 4.59 2.79 2.79
assign ((resid 131 and name HN )) ( (resid 131 and name HD* )) 3.88 2.08 2.08
assign ((resid 131 and name HN )) ( (resid 131 and name HE* )) 4.59 2.79 2.79
assign ((resid 131 and name HB1 )) ( (resid 131 and name HE* )) 3.74 1.95 1.95
assign ((resid 131 and name HG* )) ( (resid 132 and name HN )) 3.89 2.10 2.10
assign ((resid 135 and name HA )) ( (resid 138 and name HB* )) 3.37 1.58 1.58
assign ((resid 137 and name HD1* )) ( (resid 138 and name HB* )) 5.10 3.30 3.30
assign ((resid 138 and name HB* )) ( (resid 139 and name HN )) 2.97 1.18 1.18
assign ((resid 142 and name HN )) ( (resid 142 and name HD* )) 3.56 1.77 1.77
assign ((resid 142 and name HA )) ( (resid 142 and name HD* )) 3.02 1.23 1.23
assign ((resid 142 and name HA )) ( (resid 145 and name HB* )) 3.01 1.21 1.21
assign ((resid 142 and name HD* )) ( (resid 143 and name HN )) 4.11 2.32 2.32
assign ((resid 142 and name HD* )) ( (resid 145 and name HN )) 4.47 2.67 2.67
assign ((resid 142 and name HD* )) ( (resid 145 and name HB* )) 5.13 3.33 3.33
assign ((resid 142 and name HD2* )) ( (resid 145 and name HB2 )) 6.20 4.41 4.41
assign ((resid 142 and name HD2* )) ( (resid 145 and name HB1 )) 6.20 4.41 4.41
assign ((resid 142 and name HD* )) ( (resid 145 and name HE3 )) 3.87 2.08 2.08
assign ((resid 142 and name HD* )) ( (resid 145 and name HZ3 )) 5.33 3.53 3.53
assign ((resid 142 and name HD* )) ( (resid 145 and name HH2 )) 5.21 3.41 3.41
assign ((resid 142 and name HD* )) ( (resid 146 and name HN )) 4.96 3.17 3.17
assign ((resid 143 and name HN )) ( (resid 144 and name HG* )) 4.33 2.53 2.53
assign ((resid 143 and name HN )) ( (resid 144 and name HD* )) 3.44 1.64 1.64
assign ((resid 144 and name HG* )) ( (resid 145 and name HN )) 3.37 1.58 1.58
assign ((resid 145 and name HN )) ( (resid 145 and name HB* )) 2.51 0.71 0.71
assign ((resid 145 and name HB* )) ( (resid 146 and name HN )) 3.06 1.26 1.26
assign ((resid 147 and name HA )) ( (resid 151 and name HG* )) 4.16 2.37 2.37
assign ((resid 148 and name HB )) ( (resid 149 and name HG* )) 4.24 2.44 2.44
assign ((resid 149 and name HN )) ( (resid 149 and name HG* )) 3.45 1.65 1.65
assign ((resid 149 and name HA )) ( (resid 149 and name HG* )) 2.84 1.05 1.05
assign ((resid 150 and name HN )) ( (resid 151 and name HG* )) 4.59 2.80 2.80
assign ((resid 151 and name HB* )) ( (resid 154 and name HG2* )) 5.10 3.30 3.30
assign ((resid 153 and name HA )) ( (resid 156 and name HD* )) 4.42 2.63 2.63
assign ((resid 156 and name HN )) ( (resid 156 and name HG* )) 3.11 1.31 1.31
assign ((resid 156 and name HA )) ( (resid 156 and name HG* )) 2.71 0.91 0.91
assign ((resid 156 and name HA )) ( (resid 156 and name HD* )) 3.77 1.97 1.97
assign ((resid 156 and name HB2 )) ( (resid 158 and name HG* )) 4.22 2.43 2.43
assign ((resid 156 and name HB1 )) ( (resid 158 and name HG* )) 4.45 2.65 2.65
assign ((resid 156 and name HG* )) ( (resid 157 and name HN )) 4.06 2.27 2.27
assign ((resid 156 and name HG* )) ( (resid 158 and name HG* )) 5.65 3.85 3.85
assign ((resid 156 and name HD* )) ( (resid 158 and name HG* )) 4.45 2.66 2.66
assign ((resid 156 and name HD2 )) ( (resid 158 and name HG1* )) 5.05 3.25 3.25
assign ((resid 156 and name HD2 )) ( (resid 158 and name HG2* )) 5.05 3.25 3.25
assign ((resid 158 and name HN )) ( (resid 158 and name HG* )) 3.05 1.26 1.26
assign ((resid 159 and name HN )) ( (resid 159 and name HG1* )) 2.93 1.14 1.14
assign ((resid 159 and name HG1* )) ( (resid 160 and name HN )) 3.55 1.75 1.75
assign ((resid 160 and name HN )) ( (resid 160 and name HB* )) 2.68 0.88 0.88
assign ((resid 160 and name HN )) ( (resid 160 and name HE2* )) 4.58 2.78 2.78
assign ((resid 160 and name HA )) ( (resid 160 and name HE2* )) 4.56 2.76 2.76
assign ((resid 160 and name HB* )) ( (resid 161 and name HN )) 3.09 1.30 1.30
assign ((resid 160 and name HG* )) ( (resid 161 and name HN )) 3.66 1.86 1.86
assign ((resid 160 and name HE2* )) ( (resid 161 and name HN )) 4.58 2.78 2.78
assign ((resid 161 and name HB* )) ( (resid 162 and name HN )) 3.06 1.26 1.26
assign ((resid 163 and name HN )) ( (resid 163 and name HB* )) 2.74 0.94 0.94
assign ((resid 163 and name HB* )) ( (resid 164 and name HN )) 3.07 1.28 1.28
assign ((resid 164 and name HN )) ( (resid 164 and name HB* )) 2.70 0.91 0.91
assign ((resid 164 and name HN )) ( (resid 164 and name HG* )) 3.36 1.57 1.57
assign ((resid 164 and name HA )) ( (resid 164 and name HG* )) 2.74 0.95 0.95
assign ((resid 164 and name HB* )) ( (resid 165 and name HN )) 2.71 0.91 0.91
assign ((resid 164 and name HG* )) ( (resid 165 and name HN )) 3.41 1.61 1.61
assign ((resid 167 and name HN )) ( (resid 167 and name HB* )) 2.77 0.98 0.98
assign ((resid 167 and name HG* )) ( (resid 168 and name HD* )) 5.28 3.48 3.48
assign ((resid 168 and name HN )) ( (resid 168 and name HB* )) 2.66 0.87 0.87
assign ((resid 168 and name HN )) ( (resid 168 and name HD* )) 4.02 2.23 2.23
assign ((resid 168 and name HA )) ( (resid 168 and name HD* )) 3.00 1.21 1.21
assign ((resid 168 and name HB* )) ( (resid 169 and name HN )) 2.98 1.19 1.19
assign ((resid 168 and name HD* )) ( (resid 169 and name HN )) 4.07 2.28 2.28
assign ((resid 169 and name HN )) ( (resid 169 and name HG* )) 3.19 1.39 1.39
list of removed NOE constraints
597-> THR 6 HN - ARG 7 HB* 1.79 7.01 # NoRestrctn S [2.00 6.01] -- sequential
599-> VAL 10 HN - SER 11 HA 1.80 6.50 # NoRestrctn S [2.00 3.99] -- sequential
611-> ARG 23 HN - ASP 24 HA 1.80 6.50 # NoRestrctn S [2.00 3.99] -- sequential
641-> GLU 61 HN - GLY 62 HA1 1.80 6.50 # NoRestrctn S [2.00 3.99] -- sequential
670-> PHE 84 HN - ASP 85 HA 1.79 5.11 # NoRestrctn S [2.00 3.99] -- sequential
688-> VAL 129 HN - PRO 130 HA 1.79 5.47 # NoRestrctn S [2.00 3.99] -- sequential
701-> LEU 140 HN - GLY 141 HA1 1.79 5.47 # NoRestrctn S [2.00 3.99] -- sequential
711-> ILE 154 HN - GLN 155 HB* 1.80 7.38 # NoRestrctn S [2.00 6.01] -- sequential
742-> ALA 49 HN - ASP 50 HA 1.80 6.50 # NoRestrctn S [2.00 3.99] -- sequential
748-> ARG 8 HN - ARG 8 HD* 1.80 7.38 # NoRestrctn I [2.29 6.01] -- intra
757-> ASN 19 HB1 - ASN 19 HD21 1.80 4.00 # NoRestrctn I [2.10 3.57] -- intra
758-> ASN 19 HB2 - ASN 19 HD21 1.80 4.04 # NoRestrctn I [2.10 3.57] -- intra
769-> ARG 25 HN - ARG 25 HD* 1.79 6.85 # NoRestrctn I [2.29 6.01] -- intra
777-> ARG 31 HN - ARG 31 HD* 1.80 7.38 # NoRestrctn I [2.29 6.01] -- intra
832-> ARG 55 HN - ARG 55 HG2 1.79 6.13 # NoRestrctn I [2.35 6.01] -- intra
833-> ARG 55 HN - ARG 55 HG1 1.79 6.13 # NoRestrctn I [2.35 6.01] -- intra
892-> LYS 105 HN - LYS 105 HD* 1.80 6.56 # NoRestrctn I [2.29 6.01] -- intra
919-> MET 138 HN - MET 138 HG* 1.79 6.85 # NoRestrctn I [2.29 6.01] -- intra
923-> LEU 142 HN - LEU 142 HG 1.80 6.34 # NoRestrctn I [2.35 6.01] -- intra
930-> ILE 150 HN - ILE 150 HG11 1.79 6.13 # NoRestrctn I [2.35 6.01] -- intra
950-> LYS 162 HN - LYS 162 HD* 1.80 7.18 # NoRestrctn I [2.29 6.01] -- intra
1143-> LEU 56 HN - LEU 56 HD1* 1.80 6.58 # NoRestrctn I [2.29 6.01] -- intra
1144-> LEU 56 HN - LEU 56 HD2* 1.80 6.58 # NoRestrctn I [2.29 6.01] -- intra
1200-> LEU 168 HN - LEU 168 HD1* 1.80 6.74 # NoRestrctn I [2.29 6.01] -- intra
1201-> LEU 168 HN - LEU 168 HD2* 1.80 6.74 # NoRestrctn I [2.29 6.01] -- intra
1293-> TRP 125 HN - ALA 126 HB* 1.79 6.37 # NoRestrctn S [2.00 6.01] -- sequential
1444-> ASP 3 HA - GLU 4 HB* 1.80 7.30 # NoRestrctn S [2.00 6.01] -- sequential
1446-> GLU 4 HB* - ALA 5 HA 1.80 6.60 # NoRestrctn S [2.00 6.01] -- sequential
1448-> ARG 8 HB* - VAL 9 HA 1.80 7.30 # NoRestrctn S [2.00 6.01] -- sequential
1452-> SER 11 HB* - GLU 12 HA 1.80 6.56 # NoRestrctn S [2.00 6.01] -- sequential
1461-> LEU 32 HN - LYS 33 HB* 1.80 7.38 # NoRestrctn S [2.00 6.01] -- sequential
1465-> ASN 48 HB* - ALA 49 HA 1.79 6.73 # NoRestrctn S [2.00 6.01] -- sequential
1545-> ARG 7 HN - ARG 7 HD* 1.80 7.38 # NoRestrctn I [2.29 6.01] -- intra
1559-> LYS 17 HN - LYS 17 HD* 1.80 7.38 # NoRestrctn I [2.29 6.01] -- intra
1615-> LYS 47 HN - LYS 47 HD* 1.79 6.19 # NoRestrctn I [2.29 6.01] -- intra
1621-> ARG 55 HN - ARG 55 HD* 1.80 7.38 # NoRestrctn I [2.29 6.01] -- intra
1628-> LYS 60 HN - LYS 60 HG* 1.79 6.77 # NoRestrctn I [2.29 6.01] -- intra
1681-> ARG 111 HN - ARG 111 HG2 1.80 6.50 # NoRestrctn I [2.35 6.01] -- intra
1682-> ARG 111 HN - ARG 111 HD* 1.80 7.38 # NoRestrctn I [2.29 6.01] -- intra
1705-> ARG 127 HN - ARG 127 HD* 1.79 6.73 # NoRestrctn I [2.29 6.01] -- intra
1743-> GLU 163 HN - GLU 163 HG* 1.80 6.32 # NoRestrctn I [2.29 6.01] -- intra
1750-> LYS 164 HN - LYS 164 HD* 1.80 7.38 # NoRestrctn I [2.29 6.01] -- intra
1977-> ARG 111 HN - ARG 111 HG1 1.80 6.50 # NoRestrctn I [2.35 6.01] -- intra
2090-> TYR 110 HD* - ARG 111 HB* 1.79 9.51 # NoRestrctn S [2.00 5.99] -- sequential
2154-> LEU 76 HN - LEU 76 HD2* 1.79 6.41 # NoRestrctn I [2.29 6.01] -- intra
2166-> LEU 102 HN - LEU 102 HD1* 1.79 6.21 # NoRestrctn I [2.29 6.01] -- intra
2167-> LEU 102 HA - LEU 102 HD1* 1.80 6.04 # NoRestrctn I [2.11 5.99] -- intra
2168-> LEU 102 HN - LEU 102 HD2* 1.80 6.58 # NoRestrctn I [2.29 6.01] -- intra
2188-> LEU 134 HN - LEU 134 HD2* 1.79 6.25 # NoRestrctn I [2.29 6.01] -- intra
2189-> LEU 134 HA - LEU 134 HD2* 1.80 6.66 # NoRestrctn I [2.11 5.99] -- intra
2192-> LEU 137 HA - LEU 137 HD2* 1.80 6.58 # NoRestrctn I [2.11 5.99] -- intra
2196-> LEU 140 HA - LEU 140 HD1* 1.79 6.25 # NoRestrctn I [2.11 5.99] -- intra
2229-> ALA 5 HB* - THR 6 HA 1.80 6.82 # NoRestrctn S [2.00 6.01] -- sequential
2312-> ASN 19 HA - ALA 20 HB* 1.80 7.52 # NoRestrctn S [2.00 6.01] -- sequential
2534-> ALA 98 HB* - VAL 99 HA 1.80 7.52 # NoRestrctn S [2.00 6.01] -- sequential
2656-> MET 138 HN - ALA 139 HB* 1.80 6.12 # NoRestrctn S [2.00 6.01] -- sequential
2694-> LEU 146 HN - ALA 147 HB* 1.80 6.74 # NoRestrctn S [2.00 6.01] -- sequential
3047-> ILE 13 HA - PRO 14 HB* 1.80 6.04 # NoRestrctn S [2.00 6.01] -- sequential
3059-> ASN 19 HN - ASN 19 HD2* 1.80 7.36 # NoRestrctn I [2.29 6.01] -- intra
3071-> ALA 20 HN - GLY 21 HA* 1.80 6.76 # NoRestrctn S [2.00 3.55] -- sequential
3196-> ASP 50 HN - ASN 51 HB* 1.79 6.97 # NoRestrctn S [2.00 6.01] -- sequential
3198-> ASN 51 HA - ASP 52 HB* 1.79 7.01 # NoRestrctn S [2.00 6.01] -- sequential
3285-> PHE 66 HN - GLY 67 HA* 1.80 5.78 # NoRestrctn S [2.00 3.55] -- sequential
3330-> LYS 77 HN - LYS 77 HD* 1.80 6.18 # NoRestrctn I [2.29 6.01] -- intra
3450-> ARG 111 HN - ARG 111 HG* 1.80 6.12 # NoRestrctn I [2.29 6.01] -- intra
3471-> LYS 122 HN - LYS 122 HD* 1.80 6.30 # NoRestrctn I [2.29 6.01] -- intra
3483-> ALA 126 HN - ARG 127 HB* 1.79 6.27 # NoRestrctn S [2.00 6.01] -- sequential
====== TOTAL ======: 67
table of distance constraints violations
Residual Violations greater than 0.10
1-> ASP 3 HA - GLU 4 HN [ 1.80 3.18] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.08 0.00 0.00 0.00 0.00 0.15 0.04 0.00 0.00 0.00 0.00 - 4 [ 0.04 .. 0.17]
141-> GLU 35 HB3 - TYR 36 HN [ 1.80 4.12] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.07 .. 0.10]
190-> ARG 41 HA - ASN 45 HN [ 1.79 4.29] 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.11 0.01 0.03 0.00 0.02 0.00 0.00 0.00 - 7 [ 0.00 .. 0.11]
195-> GLU 44 HB2 - ASN 45 HN [ 1.80 3.30] 0.17 0.12 0.00 0.00 0.00 0.10 0.00 0.18 0.15 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.01 0.14 - 9 [ 0.01 .. 0.18]
224-> ASN 51 HN - ASN 51 HB2 [ 1.79 3.47] 0.00 0.00 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 - 1 [ 0.17 .. 0.17]
260-> LYS 60 HB3 - GLU 61 HN [ 1.80 4.04] 0.07 0.00 0.00 0.00 0.13 0.01 0.00 0.00 0.00 0.00 0.04 0.00 0.11 0.08 0.02 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.00 .. 0.13]
333-> ASP 81 HN - ASP 81 HB2 [ 1.79 3.59] 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.04 0.00 0.06 0.04 0.00 0.00 0.00 - 5 [ 0.04 .. 0.12]
343-> GLU 83 HB2 - PHE 84 HN [ 1.80 3.38] 0.00 0.00 0.13 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.09 .. 0.13]
353-> ASP 85 HB2 - ILE 86 HN [ 1.80 3.92] 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.10]
372-> GLU 96 HA - ILE 97 HN [ 1.80 3.26] 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
387-> ASP 103 HA - GLY 104 HN [ 1.80 3.18] 0.00 0.00 0.00 0.18 0.18 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.17 0.00 - 5 [ 0.17 .. 0.18]
587-> GLN 167 HN - GLN 167 HB3 [ 1.80 3.96] 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 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
589-> GLN 167 HA - LEU 168 HN [ 1.80 3.34] 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
595-> LEU 168 HB2 - GLU 169 HN [ 1.79 4.37] 0.00 0.00 0.13 0.10 0.02 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.09 0.00 0.00 0.00 0.00 0.06 0.00 0.04 - 7 [ 0.02 .. 0.13]
652-> LEU 56 HA - PHE 66 HN [ 1.80 4.74] 0.00 0.00 0.00 0.00 0.09 0.00 0.11 0.03 0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 - 7 [ 0.00 .. 0.11]
663-> GLU 83 HN - ALA 98 HN [ 1.79 3.63] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.00 0.15 0.01 0.00 0.00 0.00 0.00 0.02 0.03 0.02 0.00 - 7 [ 0.01 .. 0.15]
890-> LYS 105 HN - LYS 105 HG2 [ 1.79 4.37] 0.00 0.09 0.11 0.00 0.00 0.00 0.00 0.04 0.19 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.03 .. 0.19]
891-> LYS 105 HN - LYS 105 HG3 [ 1.79 4.37] 0.00 0.13 0.03 0.00 0.00 0.00 0.00 0.07 0.05 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.03 .. 0.15]
1000-> TRP 53 HN - TRP 53 HD1 [ 1.80 4.20] 0.17 0.00 0.00 0.04 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.06 - 5 [ 0.04 .. 0.17]
1038-> PHE 54 HB3 - TRP 70 HN [ 1.80 6.50] 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
1082-> ASN 46 HD21 - TRP 53 HE1 [ 1.79 5.23] 0.02 0.00 0.04 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.11]
1228-> LEU 27 HD1* - GLN 30 HN [ 1.80 6.04] 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
1308-> THR 6 HN - THR 6 HB [ 1.80 3.34] 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 0.12 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
1549-> GLU 12 HA - GLU 12 HG3 [ 1.80 3.34] 0.00 0.00 0.00 0.00 0.00 0.27 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 - 2 [ 0.26 .. 0.27]
1552-> GLU 12 HN - GLU 12 HG3 [ 1.79 3.67] 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.13]
1582-> GLN 30 HB* - GLN 30 HE21 [ 1.79 5.49] 0.14 0.00 0.11 0.00 0.00 0.00 0.08 0.13 0.02 0.00 0.01 0.00 0.00 0.09 0.06 0.03 0.00 0.07 0.09 0.00 - 11 [ 0.01 .. 0.14]
1629-> LYS 60 HA - LYS 60 HE* [ 1.80 7.38] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 - 1 [ 0.14 .. 0.14]
1669-> GLU 96 HA - GLU 96 HG2 [ 1.79 3.51] 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.04 .. 0.16]
1670-> GLU 96 HA - GLU 96 HG3 [ 1.79 3.51] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 - 1 [ 0.20 .. 0.20]
1711-> LYS 131 HN - LYS 131 HG2 [ 1.79 4.53] 0.00 0.00 0.00 0.23 0.00 0.00 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 - 2 [ 0.08 .. 0.23]
1713-> LYS 131 HN - LYS 131 HD2 [ 1.79 6.21] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
1716-> LEU 142 HA - LEU 142 HG [ 1.80 3.26] 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 0.00 - 1 [ 0.25 .. 0.25]
1786-> ARG 23 HB2 - ILE 88 HA [ 1.80 6.50] 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.01 0.11 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.02 - 5 [ 0.01 .. 0.11]
1795-> TRP 28 HD1 - LEU 32 HG [ 1.80 6.50] 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.03 .. 0.10]
1823-> LEU 56 HG - TRP 65 HE3 [ 1.80 5.02] 0.00 0.07 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.02 0.00 0.01 0.00 0.00 0.00 0.00 - 5 [ 0.01 .. 0.11]
2121-> LEU 27 HA - LEU 27 HD1* [ 1.80 3.42] 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
2217-> LEU 153 HA - LEU 153 HD1* [ 1.80 3.46] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 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 [ 0.24 .. 0.24]
2995-> LYS 68 HD2 - TRP 70 HZ2 [ 1.80 6.50] 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 - 3 [ 0.02 .. 0.14]
3132-> GLN 30 HE22 - GLU 34 HG* [ 1.79 5.53] 0.14 0.06 0.08 0.03 0.00 0.00 0.10 0.06 0.06 0.03 0.00 0.00 0.00 0.13 0.02 0.03 0.01 0.00 0.05 0.05 - 14 [ 0.01 .. 0.14]
3190-> LYS 47 HN - ASP 52 HB* [ 1.79 5.25] 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.02 - 4 [ 0.02 .. 0.14]
3319-> ILE 72 HG12 - LYS 77 HE* [ 1.80 5.70] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.08 0.00 0.00 0.00 0.11 0.00 0.00 0.02 0.00 0.00 0.00 - 4 [ 0.02 .. 0.11]
3617-> HIS 120 O - LEU 124 HN [ 1.80 2.30] 0.05 0.07 0.05 0.03 0.08 0.06 0.03 0.08 0.09 0.09 0.05 0.00 0.08 0.07 0.06 0.00 0.03 0.04 0.06 0.11 - 18 [ 0.03 .. 0.11]
3621-> ALA 135 O - ALA 139 HN [ 1.80 2.30] 0.01 0.11 0.10 0.05 0.02 0.05 0.01 0.07 0.04 0.07 0.07 0.05 0.08 0.03 0.01 0.07 0.01 0.03 0.08 0.00 - 19 [ 0.01 .. 0.11]
3631-> GLU 149 O - LEU 153 HN [ 1.80 2.30] 0.10 0.00 0.02 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 0.03 0.00 - 5 [ 0.00 .. 0.10]
-------------------------------------------
Number of Violations greater than 0.10 9 4 6 6 4 3 1 4 6 3 2 2 2 2 2 3 2 0 3 2
-------------------------------------------
---- 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: 8 4 6 5 4 2 1 3 6 3 2 1 2 2 2 2 2 0 3 2 3.00
0.2 - 0.5 ang: 1 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0.30
> 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 70 64 75 88 89 74 65 77 80 63 78 78 73 79 70 82 90 74 79 88 76.80
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 : 0.205 0.146 0.133 0.226 0.183 0.267 0.114 0.236 0.186 0.170 0.185 0.255 0.114 0.132 0.156 0.263 0.179 0.072 0.199 0.143 0.267
Max Intra Viol : 0.205 0.133 0.114 0.226 0.075 0.267 0.080 0.236 0.186 0.170 0.088 0.255 0.076 0.090 0.156 0.263 0.090 0.072 0.199 0.064 0.267
Max Seque Viol : 0.172 0.146 0.133 0.181 0.183 0.108 0.087 0.181 0.170 0.093 0.185 0.092 0.114 0.083 0.151 0.093 0.179 0.068 0.171 0.143 0.185
Max Medium Viol : 0.142 0.106 0.104 0.081 0.103 0.068 0.099 0.139 0.093 0.094 0.072 0.086 0.108 0.132 0.067 0.073 0.061 0.071 0.084 0.110 0.142
Max Long Viol : 0.059 0.081 0.080 0.139 0.119 0.091 0.114 0.066 0.113 0.107 0.148 0.106 0.093 0.111 0.046 0.065 0.081 0.069 0.076 0.099 0.148
Average Violation : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.00072
Avge Intra Viol : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.00090
Avge Seque Viol : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.00077
Avge Mediu Viol : 0.001 0.001 0.001 0.001 0.001 0.001 0.000 0.001 0.001 0.000 0.001 0.000 0.000 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.00065
Avge Long Viol : 0.000 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.000 0.000 0.000 0.001 0.001 0.001 0.00063
RMS Violation : 0.009 0.006 0.007 0.008 0.007 0.008 0.006 0.008 0.007 0.007 0.007 0.007 0.006 0.006 0.006 0.008 0.006 0.005 0.007 0.006 0.00689
RMS Intra : 0.013 0.007 0.008 0.012 0.005 0.012 0.006 0.011 0.009 0.009 0.006 0.010 0.006 0.005 0.008 0.013 0.006 0.005 0.011 0.005 0.00885
RMS Sequential : 0.009 0.006 0.006 0.005 0.006 0.005 0.006 0.008 0.006 0.005 0.006 0.006 0.007 0.006 0.005 0.007 0.005 0.006 0.006 0.006 0.00620
RMS Medium range : 0.009 0.007 0.008 0.009 0.008 0.007 0.005 0.008 0.009 0.005 0.009 0.005 0.006 0.006 0.007 0.007 0.010 0.005 0.007 0.006 0.00727
RMS Long range : 0.004 0.006 0.006 0.007 0.007 0.005 0.006 0.006 0.006 0.006 0.008 0.006 0.006 0.005 0.003 0.004 0.004 0.005 0.005 0.006 0.00560
Final --global-- Summary for 20 models, 3634 NOEs/model, 72680 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 52.537
Summ sq. viol : 3.449
Maximum viol : 0.267
Average viol : 0.00072
RMSD viol : 0.00689
Std. Dev. viol : 0.00685
RMS Intra : 0.00885
RMS Seque : 0.00620
RMS Medi : 0.00727
RMS Long : 0.00560
table of dihedral angle constraints violations
1-> [GLU A 4] PHI -77.0 -47.0 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 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3]
17-> [ARG A 25] PHI -79.0 -55.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.0]
18-> [ARG A 25] PSI -51.0 -19.0 0.0 0.0 0.0 0.0 0.3 0.6 1.8 0.0 0.5 1.2 0.0 0.0 0.6 0.0 1.2 0.8 0.0 0.0 0.0 0.0 - 8 [ 0.0 .. 1.8]
28-> [GLN A 30] PSI -53.0 -33.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 1.2 - 4 [ 0.0 .. 1.2]
30-> [ARG A 31] PSI -55.0 -29.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.2 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.4]
34-> [LYS A 33] PSI -63.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 - 2 [ 0.0 .. 1.5]
38-> [GLU A 35] PSI -59.0 -31.0 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 5.0 0.0 0.0 0.0 0.0 3.9 0.0 0.0 3.5 0.5 0.0 1.8 - 6 [ 0.0 .. 5.0]
58-> [ASN A 45] PSI -49.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.3]
67-> [PHE A 54] PHI -161.0 -69.0 0.0 0.0 0.5 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 1.8 0.0 0.1 0.4 0.0 - 6 [ 0.0 .. 1.8]
68-> [PHE A 54] PSI 123.0 171.0 0.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.6 0.0 0.0 0.0 - 3 [ 0.0 .. 1.3]
70-> [ARG A 55] PSI 125.0 167.0 3.2 1.7 1.3 1.6 0.8 0.9 0.7 0.0 0.0 0.0 0.0 0.6 0.0 1.2 0.0 0.6 0.5 0.0 0.7 3.2 - 13 [ 0.0 .. 3.2]
72-> [LEU A 56] PSI 125.0 171.0 0.0 0.4 0.9 2.3 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 1.5 0.4 0.0 0.5 0.0 0.0 0.0 0.0 - 8 [ 0.0 .. 2.3]
76-> [SER A 58] PSI 129.0 177.0 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 0.9 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.2]
84-> [LYS A 68] PSI 133.0 -179.0 0.0 0.0 0.0 0.0 1.8 0.0 2.1 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 - 3 [ 0.0 .. 2.1]
88-> [TRP A 70] PSI 123.0 159.0 0.0 0.0 1.0 0.0 1.5 0.0 0.0 0.0 0.3 0.0 1.4 0.0 0.4 0.9 1.3 0.0 0.4 0.0 0.0 0.0 - 8 [ 0.0 .. 1.5]
89-> [TYR A 71] PHI -167.0 -119.0 1.1 0.0 0.0 0.0 1.2 1.6 1.5 1.3 0.0 0.8 0.0 0.0 0.0 0.3 0.0 1.0 0.0 0.5 0.7 0.0 - 11 [ 0.0 .. 1.6]
90-> [TYR A 71] PSI 121.0 159.0 0.0 0.0 0.0 0.4 0.0 0.7 0.5 0.0 1.9 1.5 0.0 0.0 0.0 2.3 0.0 0.4 1.0 0.0 0.0 0.9 - 9 [ 0.0 .. 2.3]
92-> [ILE A 72] PSI 115.0 143.0 0.0 0.0 0.6 0.0 1.2 0.0 0.0 0.0 1.1 0.0 0.2 0.0 0.0 0.0 0.9 0.3 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 1.2]
94-> [HIS A 73] PSI 109.0 147.0 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 3.8 0.0 0.0 0.6 2.4 0.7 - 6 [ 0.0 .. 3.8]
100-> [GLU A 79] PSI 137.0 179.0 1.2 0.6 0.0 1.6 0.7 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.9 2.1 0.5 0.6 0.0 - 10 [ 0.0 .. 2.1]
105-> [ILE A 82] PHI -149.0 -115.0 0.0 0.4 0.0 0.0 0.0 0.0 0.5 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.7]
110-> [PHE A 84] PSI 145.0 175.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.7]
114-> [PHE A 121] PSI -59.0 -35.0 0.6 1.4 1.0 0.0 0.0 0.0 1.3 1.1 1.4 2.0 0.0 0.3 0.0 0.0 0.0 0.0 0.4 0.0 0.3 0.8 - 11 [ 0.0 .. 2.0]
129-> [HIS A 136] PHI -71.0 -51.0 0.9 0.0 0.2 0.2 0.0 0.5 0.8 0.5 0.0 1.7 0.2 0.1 0.7 0.3 0.6 0.3 0.8 0.0 0.0 0.0 - 14 [ 0.0 .. 1.7]
130-> [HIS A 136] PSI -55.0 -33.0 0.0 0.0 0.0 1.5 1.1 0.5 0.0 0.7 0.0 0.5 0.3 1.8 0.5 0.0 0.0 0.0 0.0 0.0 1.7 0.0 - 10 [ 0.0 .. 1.8]
142-> [GLY A 143] PSI -61.0 -21.0 0.9 0.7 0.4 0.9 0.1 0.8 2.2 1.0 0.6 1.2 1.2 0.2 0.5 0.8 0.9 0.4 1.9 0.6 1.0 1.3 - 20 [ 0.1 .. 2.2]
150-> [VAL A 148] PSI -55.0 -11.0 0.2 0.0 0.0 0.0 1.7 0.3 0.1 1.1 0.0 0.0 0.9 0.6 1.0 0.0 0.4 0.0 0.0 1.0 0.0 1.1 - 11 [ 0.0 .. 1.7]
151-> [ILE A 150] PHI -76.0 -56.0 0.0 1.0 0.0 1.8 0.0 0.4 0.2 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 - 8 [ 0.0 .. 1.8]
160-> [GLN A 155] PSI -53.0 -15.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 1.1 0.0 0.0 0.0 - 3 [ 0.0 .. 1.1]
163-> [ASP A 3] PSI -15.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.4]
167-> [ILE A 13] PSI 65.0 85.0 3.5 4.8 4.1 3.2 3.0 3.7 4.2 1.9 4.6 1.4 3.0 4.9 2.6 4.5 5.2 1.7 2.1 4.1 0.0 3.6 - 19 [ 0.0 .. 5.2]
172-> [LEU A 16] PSI 135.0 -155.0 0.8 0.4 0.0 0.0 0.0 0.0 0.4 0.0 0.2 0.0 0.0 0.0 0.0 0.0 3.4 0.4 0.3 0.0 0.3 0.1 - 9 [ 0.0 .. 3.4]
197-> [ASP A 50] PSI 5.0 95.0 0.0 0.0 0.0 0.0 0.0 1.1 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 - 1 [ 0.0 .. 1.1]
232-> [ILE A 86] PSI 55.0 85.0 4.1 7.0 4.4 4.7 6.5 6.7 5.5 5.4 5.0 5.9 5.3 5.8 4.5 5.9 5.3 6.1 4.2 5.4 4.5 5.2 - 20 [ 4.1 .. 7.0]
245-> [ALA A 94] PSI 145.0 165.0 0.5 0.0 0.0 1.6 0.1 0.6 0.7 0.0 1.1 0.3 0.0 0.3 0.3 0.3 1.7 0.5 1.0 0.2 0.0 1.1 - 15 [ 0.0 .. 1.7]
259-> [VAL A 99] PSI 145.0 85.0 2.2 1.2 2.7 2.2 1.8 0.3 2.7 2.2 1.6 1.1 0.0 0.0 2.1 3.2 1.4 1.6 3.1 0.0 0.0 1.4 - 16 [ 0.0 .. 3.2]
260-> [PRO A 100] PSI -55.0 5.0 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]
269-> [ASP A 103] PSI -15.0 -155.0 0.0 0.0 0.0 0.1 2.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 2.1 0.0 1.1 0.0 - 5 [ 0.0 .. 2.1]
322-> [LYS A 131] PHI 175.0 75.0 0.0 1.3 2.2 0.0 0.5 0.0 0.0 0.0 0.5 0.0 0.0 0.8 1.0 0.1 1.0 0.0 0.5 0.0 0.1 0.2 - 11 [ 0.0 .. 2.2]
356-> [LYS A 164] PSI -85.0 -15.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.4 0.0 0.0 0.0 0.0 0.0 0.0 1.5 - 3 [ 0.0 .. 1.5]
---- 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 : 7 6 7 11 10 5 11 7 11 10 5 4 8 7 8 5 9 2 4 10 7.35
> 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 18 16 17 22 20 21 27 21 21 16 15 16 21 22 20 23 28 17 22 20 20.15
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 : 4.1 7.0 4.4 4.7 6.5 6.7 5.5 5.4 5.0 5.9 5.3 5.8 4.5 5.9 5.3 6.1 4.2 5.4 4.5 5.2 6.98
Max PHI Viol : 1.1 1.3 2.2 1.8 1.2 1.6 1.5 1.7 0.6 1.7 0.2 0.9 1.5 0.7 1.0 1.8 1.0 0.9 0.7 0.2 2.21
Max PSI Viol : 4.1 7.0 4.4 4.7 6.5 6.7 5.5 5.4 5.0 5.9 5.3 5.8 4.5 5.9 5.3 6.1 4.2 5.4 4.5 5.2 6.98
Average Violation : 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.0 0.1 0.1 0.1 0.1 0.1 0.1 0.0 0.0 0.1 0.065
Avge PHI Viol : 0.109 0.127 0.135 0.153 0.109 0.129 0.188 0.144 0.084 0.119 0.034 0.134 0.139 0.106 0.103 0.152 0.133 0.107 0.089 0.034 0.122
Avge PSI Viol : 0.361 0.342 0.339 0.379 0.383 0.345 0.399 0.335 0.424 0.347 0.306 0.321 0.331 0.405 0.412 0.309 0.399 0.289 0.316 0.406 0.360
RMS Violation : 0.380 0.475 0.395 0.411 0.449 0.437 0.470 0.371 0.493 0.393 0.348 0.429 0.342 0.505 0.507 0.376 0.417 0.370 0.311 0.429 0.419
RMS PHI Viol : 0.103 0.122 0.164 0.166 0.103 0.128 0.184 0.162 0.060 0.134 0.016 0.114 0.140 0.071 0.089 0.162 0.110 0.092 0.065 0.017 0.120
RMS PSI Viol : 0.560 0.701 0.564 0.588 0.665 0.642 0.675 0.527 0.739 0.572 0.523 0.632 0.489 0.755 0.756 0.536 0.615 0.546 0.461 0.646 0.615
Final --global-- Summary for 20 models, 364 ACOs/model, 7280 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 476.73
Summ. Sq. Viol. : 1277.53
Max. Viol. : 6.976
Avg. Viol. : 0.06549
RMS Viol. : 0.41891
Std. Dev. Viol. : 0.41376
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 0.100 0.129 0.240 0.485
ALA A 2 0.869 0.382
ASP A 3 0.380 0.517 0.332 0.323
GLU A 4 0.995 0.989 0.100 0.452 0.491 4 4
ALA A 5 0.997 0.998 5 5
THR A 6 0.998 0.996 0.959 6 6
ARG A 7 0.998 0.991 0.548 0.436 0.236 0.878 0.998 7 7
ARG A 8 0.998 0.995 0.512 0.810 0.226 0.842 0.998 8 8
VAL A 9 0.994 0.998 0.998 9 9
VAL A 10 0.998 0.992 0.999 10 10
SER A 11 0.994 0.983 0.471 11 11
GLU A 12 0.989 0.978 0.996 0.880 0.418 12 12
ILE A 13 0.995 1.000 0.999 0.999 13 13
PRO A 14 0.989 0.979 0.931 0.860 14 14
VAL A 15 0.992 0.986 1.000 15 15
LEU A 16 0.988 0.971 0.998 0.997 16 16
LYS A 17 0.950 0.964 0.291 0.388 0.518 0.152 17 17
THR A 18 0.917 0.760 0.857
ASN A 19 0.757 0.894 0.432 0.294
ALA A 20 0.911 0.600
GLY A 21 0.654 0.987
PRO A 22 0.997 0.992 0.954 0.897 22 22
ARG A 23 0.987 0.970 0.986 0.554 0.572 0.663 0.999 23 23
ASP A 24 0.971 0.977 0.647 0.799 24 24
ARG A 25 0.997 0.988 0.994 0.921 0.043 0.720 0.998 25 25
GLU A 26 0.997 0.991 0.421 0.672 0.252 26 26
LEU A 27 0.996 0.998 0.993 0.937 27 27
TRP A 28 0.998 0.996 0.995 0.996 28 28
VAL A 29 0.999 0.996 0.998 29 29
GLN A 30 0.998 0.994 0.627 0.810 0.662 30 30
ARG A 31 0.998 0.996 0.683 0.669 0.361 0.243 0.996 31 31
LEU A 32 0.998 0.997 0.846 0.537 32 32
LYS A 33 0.997 0.992 0.591 0.992 0.386 0.424 33 33
GLU A 34 0.997 0.993 0.992 0.795 0.479 34 34
GLU A 35 0.995 0.993 0.289 0.251 0.668 35 35
TYR A 36 0.998 0.995 0.950 0.655 36 36
GLN A 37 0.999 0.998 0.987 0.706 0.806 37 37
SER A 38 0.998 0.998 0.475 38 38
LEU A 39 0.999 0.998 0.998 0.998 39 39
ILE A 40 0.999 0.998 0.999 1.000 40 40
ARG A 41 0.998 0.997 0.836 0.516 0.390 0.780 0.998 41 41
TYR A 42 0.998 0.997 0.993 0.986 42 42
VAL A 43 0.999 0.998 1.000 43 43
GLU A 44 0.996 0.989 0.744 0.267 0.258 44 44
ASN A 45 0.998 0.997 0.923 0.889 45 45
ASN A 46 0.995 0.991 0.817 0.663 46 46
LYS A 47 0.998 0.992 0.746 0.727 0.444 0.294 47 47
ASN A 48 0.996 0.986 0.798 0.603 48 48
ALA A 49 0.990 0.996 49 49
ASP A 50 0.997 0.982 0.998 0.983 50 50
ASN A 51 0.973 0.849 0.920 0.627 51
ASP A 52 0.933 0.943 0.692 0.546 52 52
TRP A 53 0.934 0.866 0.420 0.401 53
PHE A 54 0.969 0.973 0.796 0.619 54 54
ARG A 55 0.970 0.999 0.089 0.273 0.171 0.670 0.999 55 55
LEU A 56 0.968 0.996 0.747 0.266 56 56
GLU A 57 0.981 0.991 0.993 0.515 0.424 57 57
SER A 58 0.967 0.987 0.424 58 58
ASN A 59 0.991 0.995 0.599 0.699 59 59
LYS A 60 0.996 0.982 0.476 0.228 0.329 0.441 60 60
GLU A 61 0.991 0.994 0.993 0.407 0.510 61 61
GLY A 62 0.997 0.992 62 62
THR A 63 0.996 0.976 0.998 63 63
ARG A 64 0.964 0.992 0.692 0.885 0.271 0.789 0.998 64 64
TRP A 65 0.994 0.988 0.999 0.994 65 65
PHE A 66 0.989 0.959 0.996 0.700 66 66
GLY A 67 0.914 0.936 67 67
LYS A 68 0.960 0.991 0.224 0.915 0.262 0.099 68 68
CYS A 69 0.989 0.987 0.281 69 69
TRP A 70 0.958 0.979 0.507 0.121 70 70
TYR A 71 0.983 0.987 0.830 0.798 71 71
ILE A 72 0.993 0.997 0.995 0.581 72 72
HIS A 73 0.985 0.989 0.990 0.789 73 73
ASP A 74 0.996 0.653 0.680 0.605
LEU A 75 0.625 0.968 0.943 0.566
LEU A 76 0.958 0.969 0.995 0.943 76 76
LYS A 77 0.981 0.982 0.995 0.926 0.227 0.482 77 77
TYR A 78 0.959 0.969 0.601 0.184 78 78
GLU A 79 0.981 0.996 0.607 0.398 0.310 79 79
PHE A 80 0.995 0.983 0.997 0.897 80 80
ASP A 81 0.984 0.991 0.285 0.284 81 81
ILE A 82 0.992 0.990 0.998 0.999 82 82
GLU A 83 0.977 0.994 0.780 0.857 0.379 83 83
PHE A 84 0.991 0.991 0.841 0.601 84 84
ASP A 85 0.984 0.987 0.794 0.657 85 85
ILE A 86 0.998 1.000 0.999 1.000 86 86
PRO A 87 0.993 0.992 0.956 0.896 87 87
ILE A 88 0.995 0.987 0.989 0.344 88 88
THR A 89 0.993 0.967 0.856 89 89
TYR A 90 0.995 0.999 0.996 0.994 90 90
PRO A 91 1.000 0.997 0.992 0.980 91 91
THR A 92 0.998 0.997 0.997 92 92
THR A 93 0.988 0.988 0.999 93 93
ALA A 94 0.996 1.000 94 94
PRO A 95 0.985 0.939 0.936 0.889 95 95
GLU A 96 0.968 0.895 0.993 0.836 0.606 96
ILE A 97 0.899 0.991 0.999 0.769 97
ALA A 98 0.987 0.605
VAL A 99 0.599 0.998 0.832
PRO A 100 0.996 0.987 0.938 0.851 100 100
GLU A 101 0.985 0.967 0.876 0.793 0.366 101 101
LEU A 102 0.977 0.939 0.999 0.999 102 102
ASP A 103 0.924 0.565 0.853 0.346
GLY A 104 0.552 0.937
LYS A 105 0.960 0.914 0.548 0.399 0.466 0.271 105 105
THR A 106 0.905 0.572 0.771
ALA A 107 0.662 0.145
LYS A 108 0.634 0.536 0.426 0.455 0.241 0.423
MET A 109 0.721 0.764 0.566 0.193 0.714
TYR A 110 0.780 0.327 0.253 0.443
ARG A 111 0.539 0.550 0.466 0.470 0.130 0.741 0.999
GLY A 112 0.548 0.407
GLY A 113 0.255 0.755
LYS A 114 0.815 0.895 0.783 0.564 0.693 0.289 114
ILE A 115 0.970 0.982 0.998 0.955 115 115
CYS A 116 0.977 0.956 0.277 116 116
LEU A 117 0.973 0.853 0.998 0.999 117
THR A 118 0.905 0.990 0.570 118 118
ASP A 119 0.994 0.983 0.159 0.411 119 119
HIS A 120 0.988 0.987 0.611 0.443 120 120
PHE A 121 1.000 0.998 0.964 0.898 121 121
LYS A 122 0.999 0.999 0.667 0.544 0.321 0.367 122 122
PRO A 123 0.997 0.998 0.947 0.882 123 123
LEU A 124 0.998 0.998 0.999 1.000 124 124
TRP A 125 0.999 0.999 0.998 0.996 125 125
ALA A 126 0.998 0.991 126 126
ARG A 127 0.989 0.993 0.784 0.865 0.200 0.930 0.999 127 127
ASN A 128 0.979 0.830 0.994 0.740 128
VAL A 129 0.889 0.997 0.999 129
PRO A 130 0.995 0.982 0.977 0.949 130 130
LYS A 131 0.999 0.949 0.906 0.870 0.453 0.161 131 131
PHE A 132 0.967 0.976 0.906 0.619 132 132
GLY A 133 0.962 0.981 133 133
LEU A 134 0.996 0.998 0.999 0.999 134 134
ALA A 135 0.999 0.996 135 135
HIS A 136 1.000 0.998 0.997 0.977 136 136
LEU A 137 0.999 0.995 0.999 0.999 137 137
MET A 138 0.998 0.994 0.383 0.082 0.401 138 138
ALA A 139 0.999 0.996 139 139
LEU A 140 0.996 0.982 0.999 1.000 140 140
GLY A 141 0.987 0.995 141 141
LEU A 142 0.998 0.996 0.934 0.757 142 142
GLY A 143 1.000 1.000 143 143
PRO A 144 0.997 0.998 0.951 0.890 144 144
TRP A 145 0.999 0.996 0.996 0.990 145 145
LEU A 146 0.999 0.999 0.999 0.999 146 146
ALA A 147 0.998 0.993 147 147
VAL A 148 0.979 0.994 0.999 148 148
GLU A 149 0.933 0.957 0.366 0.154 0.321 149 149
ILE A 150 0.997 0.998 0.986 0.795 150 150
PRO A 151 0.998 0.998 0.946 0.857 151 151
ASP A 152 0.989 0.994 0.877 0.703 152 152
LEU A 153 0.996 0.997 0.765 0.487 153 153
ILE A 154 0.999 0.997 0.999 1.000 154 154
GLN A 155 0.999 0.990 0.387 0.614 0.400 155 155
LYS A 156 0.993 0.991 0.654 0.838 0.203 0.090 156 156
GLY A 157 0.993 0.977 157 157
VAL A 158 0.988 0.967 0.399 158 158
ILE A 159 0.968 0.953 0.936 0.718 159 159
GLN A 160 0.813 0.839 0.521 0.357 0.488 160
HIS A 161 0.847 0.556 0.080 0.110
LYS A 162 0.738 0.391 0.435 0.319 0.523 0.124
GLU A 163 0.280 0.502 0.460 0.220 0.243
LYS A 164 0.933 0.943 0.598 0.536 0.223 0.219 164 164
CYS A 165 0.369 0.471 0.352
ASN A 166 0.837 0.252 0.150 0.483
GLN A 167 0.665 0.661 0.476 0.290 0.367
LEU A 168 0.925 0.649 0.453 0.454
GLU A 169 0.941 0.703 0.107 0.336 0.223
HIS A 170 0.866 0.703 0.179 0.437
HIS A 171 0.839 0.594 0.540 0.414
HIS A 172 0.861 0.448 0.269 0.527
HIS A 173 0.845 0.736 0.413 0.340
HIS A 174 0.846 0.267 0.258 0.180
HIS A 175 0.916 0.161 0.221
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 `HR41_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 1 is: 0.968
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 2 is: 1.076
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 3 is: 1.070
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 4 is: 0.658 (*)
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 5 is: 0.691
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 6 is: 0.921
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 7 is: 0.786
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 8 is: 0.835
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 9 is: 0.777
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 10 is: 0.802
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 11 is: 0.810
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 12 is: 0.807
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 13 is: 0.846
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 14 is: 0.803
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 15 is: 0.665
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 16 is: 0.697
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 17 is: 0.882
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 18 is: 0.819
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 19 is: 0.797
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 20 is: 0.950
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[4..17],[22..50],[54..73],[76..95],[100..102],[115..116],[118..127],[130..159], is: 0.833
> Range of RMSD values to reference struct. is 0.658 to 1.076
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 1 is: 1.393
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 2 is: 1.392
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 3 is: 1.522
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 4 is: 1.236
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 5 is: 1.164
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 6 is: 1.363
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 7 is: 1.314
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 8 is: 1.349
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 9 is: 1.177
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 10 is: 1.227
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 11 is: 1.183
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 12 is: 1.306
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 13 is: 1.273
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 14 is: 1.251
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 15 is: 1.160
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 16 is: 1.132 (*)
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 17 is: 1.339
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 18 is: 1.246
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 19 is: 1.191
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..50],A[54..73],A[76..95],A[100..102],A[115..116],A[118..127],A[130..159],for model 20 is: 1.359
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[4..17],[22..50],[54..73],[76..95],[100..102],[115..116],[118..127],[130..159], is: 1.279
> Range of RMSD values to reference struct. is 1.132 to 1.522
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..175],for model 1 is: 2.103
> Kabsch RMSD of backb atoms in res. *[1..175],for model 2 is: 3.869
> Kabsch RMSD of backb atoms in res. *[1..175],for model 3 is: 2.432
> Kabsch RMSD of backb atoms in res. *[1..175],for model 4 is: 4.246
> Kabsch RMSD of backb atoms in res. *[1..175],for model 5 is: 5.191
> Kabsch RMSD of backb atoms in res. *[1..175],for model 6 is: 3.715
> Kabsch RMSD of backb atoms in res. *[1..175],for model 7 is: 2.220
> Kabsch RMSD of backb atoms in res. *[1..175],for model 8 is: 3.495
> Kabsch RMSD of backb atoms in res. *[1..175],for model 9 is: 3.475
> Kabsch RMSD of backb atoms in res. *[1..175],for model 10 is: 2.802
> Kabsch RMSD of backb atoms in res. *[1..175],for model 11 is: 3.460
> Kabsch RMSD of backb atoms in res. *[1..175],for model 12 is: 3.432
> Kabsch RMSD of backb atoms in res. *[1..175],for model 13 is: 3.316
> Kabsch RMSD of backb atoms in res. *[1..175],for model 14 is: 2.010 (*)
> Kabsch RMSD of backb atoms in res. *[1..175],for model 15 is: 6.008
> Kabsch RMSD of backb atoms in res. *[1..175],for model 16 is: 3.594
> Kabsch RMSD of backb atoms in res. *[1..175],for model 17 is: 3.213
> Kabsch RMSD of backb atoms in res. *[1..175],for model 18 is: 3.919
> Kabsch RMSD of backb atoms in res. *[1..175],for model 19 is: 2.139
> Kabsch RMSD of backb atoms in res. *[1..175],for model 20 is: 4.059
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..175], is: 3.435
> Range of RMSD values to reference struct. is 2.010 to 6.008
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 1 is: 2.743
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 2 is: 4.408
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 3 is: 2.974
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 4 is: 4.876
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 5 is: 5.998
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 6 is: 4.294
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 7 is: 2.889
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 8 is: 4.058
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 9 is: 3.876
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 10 is: 3.406
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 11 is: 4.046
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 12 is: 3.980
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 13 is: 3.997
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 14 is: 2.626 (*)
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 15 is: 6.721
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 16 is: 4.114
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 17 is: 3.770
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 18 is: 4.482
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 19 is: 2.698
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 20 is: 4.629
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..175], is: 4.029
> Range of RMSD values to reference struct. is 2.626 to 6.721
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 3.4 0.8 0.8
All heavy atoms 4.0 1.3 1.3
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 >>>----------+
| |
| HR41_NMR_em_bcr3_020.rin 0.0 2700 residues |
| |
*| Ramachandran plot: 92.7% core 7.1% allow 0.1% gener 0.1% disall |
| |
+| All Ramachandrans: 63 labelled residues (out of2700) |
+| Chi1-chi2 plots: 40 labelled residues (out of1860) |
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
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
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
4 0.69
5 0.76
6 0.81
7 0.80
8 0.94
9 0.79
10 0.29
11 0.47
12 -0.54
13 -2.58
14 -0.81
15 -1.49
16 -0.38
17 -0.76
22 -1.16
23 0.18
24 -0.30
25 0.80
26 0.61
27 0.38
28 0.98
29 0.83
30 0.91
31 0.92
32 0.82
33 0.91
34 0.69
35 0.78
36 1.12
37 1.08
38 1.00
39 0.56
40 0.69
41 0.93
42 0.99
43 0.91
44 0.61
45 1.08
46 0.92
47 0.89
48 0.74
49 -0.87
50 -0.93
51 -0.86
52 -0.62
54 -0.27
55 -1.00
56 -0.44
57 -0.91
58 -0.26
59 -0.75
60 0.31
61 -0.22
62 0.87
63 -0.22
64 -0.82
65 -0.28
66 -0.25
67 -0.68
68 -0.38
69 -0.18
70 -0.42
71 0.04
72 -0.09
73 -0.70
76 -0.40
77 -0.82
78 -0.12
79 -0.45
80 -0.21
81 -0.21
82 -0.43
83 -1.00
84 -0.57
85 -0.84
86 -2.71
87 -0.63
88 -0.65
89 -0.63
90 -0.11
91 -3.26
92 0.81
93 0.36
94 -0.20
95 -0.73
96 -0.88
97 -0.78
100 0.12
101 0.23
102 -0.75
115 -1.56
116 -0.12
117 -1.76
118 -0.53
119 0.79
120 0.22
121 0.71
122 0.48
123 0.35
124 0.96
125 0.47
126 0.44
127 0.35
128 -0.35
129 -0.78
130 -3.58
131 -2.43
132 -1.04
133 -0.35
134 0.94
135 0.75
136 0.93
137 0.93
138 0.82
139 0.34
140 -0.65
141 -2.82
142 1.01
143 -1.08
144 0.52
145 1.03
146 0.88
147 -0.39
148 -1.60
149 -1.11
150 0.49
151 0.48
152 0.68
153 0.78
154 0.80
155 0.56
156 0.15
157 0.70
158 -1.20
159 -0.67
#Reported_Model_Average -0.084
#Overall_Average_Reported -0.084
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
4 0.29
5 0.76
6 0.14
7 0.25
8 0.69
9 0.73
10 0.43
11 0.17
12 0.13
13 -1.09
14 -0.81
15 -0.84
16 -0.87
17 -0.70
22 -1.16
23 0.15
24 -0.68
25 0.77
26 0.26
27 -0.60
28 0.55
29 0.79
30 0.43
31 0.14
32 -0.51
33 0.53
34 0.45
35 0.29
36 -0.83
37 0.57
38 0.37
39 0.66
40 0.73
41 -0.06
42 0.60
43 0.79
44 0.22
45 0.46
46 0.33
47 0.73
48 0.16
49 -0.87
50 -0.71
51 -0.96
52 -0.65
54 -0.53
55 -0.72
56 -0.49
57 -0.24
58 -0.35
59 -0.80
60 0.10
61 0.04
62 0.87
63 -0.45
64 -0.20
65 -0.62
66 -0.39
67 -0.68
68 -0.11
69 0.04
70 -0.78
71 -0.18
72 -0.50
73 -0.48
76 0.14
77 -0.22
78 -0.54
79 -0.51
80 0.22
81 -0.71
82 -0.27
83 -0.66
84 -0.41
85 -1.01
86 -1.36
87 -0.63
88 -0.39
89 -0.69
90 0.13
91 -3.26
92 0.22
93 0.19
94 -0.20
95 -0.73
96 -0.20
97 -0.41
100 0.12
101 -0.16
102 0.04
115 -0.87
116 0.08
117 -0.46
118 -0.61
119 -0.21
120 0.02
121 0.54
122 0.36
123 0.35
124 0.71
125 0.15
126 0.44
127 0.36
128 -0.19
129 -0.04
130 -3.58
131 -0.82
132 -1.69
133 -0.35
134 0.67
135 0.75
136 0.65
137 0.69
138 0.23
139 0.34
140 0.11
141 -2.82
142 0.60
143 -1.08
144 0.52
145 0.47
146 0.88
147 -0.39
148 -0.48
149 -0.71
150 0.02
151 0.48
152 -0.02
153 0.10
154 0.72
155 0.41
156 0.33
157 0.70
158 -0.72
159 -0.20
#Reported_Model_Average -0.141
#Overall_Average_Reported -0.141
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
4 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.60 0.62 0.60 0.60 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.60
5 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
6 -0.13 -0.20 0.39 -0.13 -0.20 -0.13 0.39 -0.20 -0.13 -0.13 -0.13 0.39 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 0.39 -0.13
7 -0.20 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 -0.20 -0.20 0.56 0.56 -0.20 -0.20 0.56 0.56 0.56
8 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 -0.20 0.56 0.56 0.56 0.56
9 -0.62 0.30 0.30 0.30 -0.62 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 -0.62 0.30
10 0.30 0.30 0.30 0.30 0.30 -0.62 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30
11 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
12 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
13 0.93 0.93 0.93 0.93 0.81 0.93 0.81 0.93 0.93 0.81 0.93 0.81 0.93 0.81 0.81 0.93 0.93 0.81 0.81 0.93
14 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
15 -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 -0.09 -0.74 -0.74 -0.09 -0.09 -0.74
16 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
17 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 -0.10 0.47 -0.10
22 0.64 0.59 0.59 -0.07 0.64 0.59 -0.07 0.59 0.59 0.59 0.59 -0.07 0.64 0.59 -0.07 0.64 -0.07 -0.07 -0.07 -0.07
23 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24
24 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
25 0.56 -0.20 -0.20 1.10 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 0.56 0.56 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 0.56 -0.20
26 0.60 0.60 0.60 0.60 0.60 0.62 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.62 0.60 0.60 0.62 0.60
27 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46
28 1.01 1.01 1.11 1.11 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.11 1.11 1.01
29 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -1.25 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62
30 0.62 0.62 0.62 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 0.62 -0.32 -0.32 0.62 0.62 0.62 0.62 0.62 0.62 0.62
31 -0.11 -1.80 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -1.80 -0.11 -1.80 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11
32 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.30 0.71 1.30 0.71 0.71 0.71 0.71 1.30 0.71 0.71 0.71 0.71
33 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
34 0.09 0.09 0.09 0.09 0.09 -0.43 -0.43 0.62 0.62 0.62 0.09 0.09 0.09 0.09 0.62 -0.43 -0.43 0.62 0.62 0.09
35 0.09 -0.58 -0.58 -0.58 -0.58 -0.58 0.09 0.09 -0.58 0.09 -0.58 -2.15 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58
36 0.50 -0.55 0.50 -0.88 0.50 0.50 0.50 0.50 -0.88 0.50 -0.88 0.50 0.50 0.50 0.50 0.86 0.50 -0.55 0.50 0.50
37 0.29 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.29 0.62 0.62 0.62 0.62
38 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
39 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
40 -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
41 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56
42 0.86 0.86 0.86 0.86 0.86 0.86 0.50 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
43 -0.29 -0.62 0.30 0.30 0.30 0.30 0.30 0.30 0.30 -0.62 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.41
44 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
45 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.58 -0.02 -0.02
46 -0.58 -0.07 -0.48 -0.58 -0.48 -0.58 -0.48 -0.58 -0.58 -0.07 -0.48 -0.48 -1.76 -0.48 -0.48 -0.58 -0.58 -0.07 -0.02 -0.58
47 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
48 -0.02 -0.02 0.32 -0.02 0.32 -0.02 0.32 0.32 -0.02 -0.02 0.32 -0.02 -0.02 0.32 0.32 0.32 -0.02 0.32 -0.02 0.32
49 0.14 0.14 0.14 0.14 0.14 -0.25 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
50 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26
52 0.34 0.34 0.51 0.34 0.51 0.34 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.34 0.34
54 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
55 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.84 0.84 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.19
56 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
57 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41
58 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
59 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 -0.26 0.51 0.51
60 -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 -0.10 -0.10 -0.10 0.47 -0.10
61 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28
62 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
63 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
64 0.19 0.19 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19 0.19 0.19
65 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92
66 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 0.37 0.37 -0.56 -0.56 0.37 -0.56 -0.56 -0.56 -0.56 -0.56 -0.61 -0.56 -0.56 -0.56
67 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
68 0.55 0.35 0.55 0.55 0.55 0.55 0.35 0.35 0.35 0.35 0.55 0.35 0.35 0.55 0.35 0.55 0.55 0.55 0.55 0.35
69 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
70 0.83 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07
71 1.30 -0.30 1.09 -0.30 1.09 1.30 1.30 1.09 1.09 1.30 1.09 1.30 1.09 1.30 1.09 1.30 -0.30 1.30 -0.09 -0.30
72 -0.35 -0.35 -0.35 -0.35 -0.35 0.26 -0.35 0.26 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35
73 -0.49 -0.49 -0.49 -0.49 0.80 0.80 0.80 0.80 -0.49 -0.53 -0.49 -0.53 -0.49 -0.49 -0.49 -0.53 0.80 -0.05 -0.49 -0.49
76 0.14 -1.33 0.14 0.14 0.14 -0.81 0.36 0.36 0.14 0.14 0.36 0.14 1.07 0.14 0.14 -1.33 0.36 -1.33 -1.33 -0.81
77 0.55 0.55 0.55 0.35 0.55 0.35 0.55 0.35 0.55 0.55 0.55 0.55 0.55 0.35 0.55 0.55 0.55 -0.83 0.55 0.55
78 0.17 0.17 0.17 0.17 0.17 1.30 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 1.30 0.17 0.17 0.17 0.17
79 -0.42 -0.68 -0.68 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 0.41 -0.20 -0.42
80 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
81 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.61 -0.03 -0.03 -0.03 -0.30 -0.03 -0.03 -0.61 -0.61 -0.03 -0.03 -0.03
82 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
83 0.41 0.41 -0.68 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 0.41 0.41 -0.68 0.41 0.41 0.41
84 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
85 -0.30 -0.03 -0.03 -0.03 -0.03 -0.30 -0.30 -0.03 -0.03 -0.30 -0.03 -0.03 -0.30 -0.03 -0.03 -0.03 -0.30 -0.03 -0.03 -0.30
86 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
87 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
88 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -1.63 -0.94 -0.94 -0.94 -0.94
89 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
90 0.52 1.14 1.14 1.14 1.14 0.52 1.14 1.14 1.14 0.52 1.14 0.52 0.52 1.14 1.14 1.14 1.14 1.14 1.14 0.52
91 -0.11 -0.11 -0.11 -0.11 0.64 -0.11 -0.11 0.64 -0.11 -0.11 0.44 -0.07 -0.11 -0.11 0.64 -0.11 0.64 0.64 0.44 -0.11
92 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
93 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
94 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
95 0.64 0.59 0.59 0.59 0.59 0.64 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
96 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
97 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
100 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
101 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
102 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
115 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
116 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 1.29 -0.35 -0.35 -0.35 -0.35
117 -0.33 0.77 0.77 1.06 0.77 0.77 1.06 0.77 -0.33 0.77 0.77 0.77 1.06 1.06 0.77 0.77 0.77 1.06 0.77 0.77
118 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
119 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
120 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.20 -0.41 -0.41 0.20 0.20 0.20 -0.41 -0.41 0.20
121 1.28 1.28 1.28 0.87 1.28 1.28 1.28 1.28 1.28 0.87 1.28 1.28 1.28 1.28 1.28 1.28 0.87 0.87 1.28 1.28
122 0.66 0.07 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.07 0.07 0.66 0.66 0.66 0.66 0.66
123 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25
124 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46
125 1.01 1.01 1.01 1.01 1.11 1.11 1.01 1.11 1.01 1.01 1.11 1.01 1.01 1.11 1.11 1.11 1.01 1.01 1.01 1.11
126 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
127 -0.20 0.56 0.56 -0.20 0.56 -0.20 0.56 0.56 -0.20 -0.20 0.56 0.56 -0.20 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20
128 -0.02 -0.58 -0.58 -0.58 -0.02 -0.58 -0.58 -0.02 -0.58 -0.58 -0.58 -0.02 -0.58 -0.02 -0.02 -0.58 -0.02 -0.58 -0.58 -0.58
129 -0.09 -0.40 -0.74 -0.40 -0.09 -0.09 -0.09 -0.09 -0.74 -0.40 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.40 0.66
130 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 0.25 0.44 0.44 0.44 0.44
131 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47
132 1.40 1.40 1.40 1.04 1.40 1.04 1.40 1.04 1.40 1.40 1.04 1.40 1.40 1.04 1.40 1.40 1.04 1.40 1.40 1.04
133 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
134 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
135 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
136 0.82 -0.34 0.82 -0.34 -0.34 0.82 0.82 -0.34 0.82 0.82 0.82 -0.34 -0.34 0.82 -0.34 -0.34 0.82 0.82 0.82 0.82
137 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
138 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26
139 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
140 1.30 1.30 1.30 1.30 1.30 -0.30 1.30 -0.30 1.30 1.30 1.30 1.30 -0.30 -0.30 0.71 -0.30 1.30 1.30 -0.30 1.30
141 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
142 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
143 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
144 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25
145 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.11 1.01
146 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
147 0.44 0.44 0.44 0.44 0.44 -0.02 -0.02 -0.02 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
148 -0.62 -0.62 -1.25 -0.62 -0.62 -0.62 -0.62 -1.25 -1.25 -0.62 -0.62 -1.25 -0.62 -0.62 -0.62 -0.62 -1.25 0.30 -0.62 -0.62
149 -0.58 -0.58 -2.15 -0.58 0.09 -2.15 0.62 -0.58 0.09 0.62 0.62 -0.43 -0.43 0.62 0.09 -0.58 -2.15 0.09 0.62 -0.58
150 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
151 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.41 -0.41 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.41 -0.25 -0.25
152 0.29 0.29 0.29 0.29 0.44 0.29 0.44 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.29 0.29
153 1.30 1.30 1.30 0.71 0.71 1.30 0.16 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71
154 0.55 0.55 1.11 0.55 0.55 -0.06 0.55 0.55 -0.02 1.11 1.11 1.11 0.55 1.11 0.55 1.11 0.55 0.55 0.55 0.55
155 0.29 0.29 0.29 0.29 0.62 0.29 0.62 0.62 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.29 0.62 0.29 0.29
156 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
157 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
158 -0.09 -0.74 -0.09 -0.09 -0.74 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.74 -0.09 -0.74 -0.74 -0.09 -0.09 -0.09
159 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
#Reported_Model_Average 0.416 0.358 0.410 0.386 0.417 0.398 0.431 0.444 0.402 0.422 0.457 0.387 0.378 0.419 0.431 0.392 0.404 0.420 0.413 0.389
#Overall_Average_Reported 0.409
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
4 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.60 0.62 0.60 0.60 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.60
5 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
6 -0.13 -0.20 0.39 -0.13 -0.20 -0.13 0.39 -0.20 -0.13 -0.13 -0.13 0.39 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 0.39 -0.13
7 -0.20 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 -0.20 -0.20 0.56 0.56 -0.20 -0.20 0.56 0.56 0.56
8 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 -0.20 0.56 0.56 0.56 0.56
9 -0.62 0.30 0.30 0.30 -0.62 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 -0.62 0.30
10 0.30 0.30 0.30 0.30 0.30 -0.62 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30
11 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
12 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
13 0.93 0.93 0.93 0.93 0.81 0.93 0.81 0.93 0.93 0.81 0.93 0.81 0.93 0.81 0.81 0.93 0.93 0.81 0.81 0.93
14 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
15 -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 -0.09 -0.74 -0.74 -0.09 -0.09 -0.74
16 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
17 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 -0.10 0.47 -0.10
22 0.64 0.59 0.59 -0.07 0.64 0.59 -0.07 0.59 0.59 0.59 0.59 -0.07 0.64 0.59 -0.07 0.64 -0.07 -0.07 -0.07 -0.07
23 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24
24 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
25 0.56 -0.20 -0.20 1.10 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 0.56 0.56 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 0.56 -0.20
26 0.60 0.60 0.60 0.60 0.60 0.62 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.62 0.60 0.60 0.62 0.60
27 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46
28 1.01 1.01 1.11 1.11 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.11 1.11 1.01
29 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -1.25 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62
30 0.62 0.62 0.62 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 0.62 -0.32 -0.32 0.62 0.62 0.62 0.62 0.62 0.62 0.62
31 -0.11 -1.80 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -1.80 -0.11 -1.80 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11
32 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.30 0.71 1.30 0.71 0.71 0.71 0.71 1.30 0.71 0.71 0.71 0.71
33 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
34 0.09 0.09 0.09 0.09 0.09 -0.43 -0.43 0.62 0.62 0.62 0.09 0.09 0.09 0.09 0.62 -0.43 -0.43 0.62 0.62 0.09
35 0.09 -0.58 -0.58 -0.58 -0.58 -0.58 0.09 0.09 -0.58 0.09 -0.58 -2.15 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58
36 0.50 -0.55 0.50 -0.88 0.50 0.50 0.50 0.50 -0.88 0.50 -0.88 0.50 0.50 0.50 0.50 0.86 0.50 -0.55 0.50 0.50
37 0.29 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.29 0.62 0.62 0.62 0.62
38 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
39 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
40 -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
41 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56
42 0.86 0.86 0.86 0.86 0.86 0.86 0.50 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
43 -0.29 -0.62 0.30 0.30 0.30 0.30 0.30 0.30 0.30 -0.62 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.41
44 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
45 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.58 -0.02 -0.02
46 -0.58 -0.07 -0.48 -0.58 -0.48 -0.58 -0.48 -0.58 -0.58 -0.07 -0.48 -0.48 -1.76 -0.48 -0.48 -0.58 -0.58 -0.07 -0.02 -0.58
47 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
48 -0.02 -0.02 0.32 -0.02 0.32 -0.02 0.32 0.32 -0.02 -0.02 0.32 -0.02 -0.02 0.32 0.32 0.32 -0.02 0.32 -0.02 0.32
49 0.14 0.14 0.14 0.14 0.14 -0.25 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
50 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26
52 0.34 0.34 0.51 0.34 0.51 0.34 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.34 0.34
54 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
55 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.84 0.84 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.19
56 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
57 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41
58 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
59 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 -0.26 0.51 0.51
60 -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 -0.10 -0.10 -0.10 0.47 -0.10
61 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28
62 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
63 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
64 0.19 0.19 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19 0.19 0.19
65 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92
66 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 0.37 0.37 -0.56 -0.56 0.37 -0.56 -0.56 -0.56 -0.56 -0.56 -0.61 -0.56 -0.56 -0.56
67 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
68 0.55 0.35 0.55 0.55 0.55 0.55 0.35 0.35 0.35 0.35 0.55 0.35 0.35 0.55 0.35 0.55 0.55 0.55 0.55 0.35
69 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
70 0.83 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07
71 1.30 -0.30 1.09 -0.30 1.09 1.30 1.30 1.09 1.09 1.30 1.09 1.30 1.09 1.30 1.09 1.30 -0.30 1.30 -0.09 -0.30
72 -0.35 -0.35 -0.35 -0.35 -0.35 0.26 -0.35 0.26 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35
73 -0.49 -0.49 -0.49 -0.49 0.80 0.80 0.80 0.80 -0.49 -0.53 -0.49 -0.53 -0.49 -0.49 -0.49 -0.53 0.80 -0.05 -0.49 -0.49
76 0.14 -1.33 0.14 0.14 0.14 -0.81 0.36 0.36 0.14 0.14 0.36 0.14 1.07 0.14 0.14 -1.33 0.36 -1.33 -1.33 -0.81
77 0.55 0.55 0.55 0.35 0.55 0.35 0.55 0.35 0.55 0.55 0.55 0.55 0.55 0.35 0.55 0.55 0.55 -0.83 0.55 0.55
78 0.17 0.17 0.17 0.17 0.17 1.30 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 1.30 0.17 0.17 0.17 0.17
79 -0.42 -0.68 -0.68 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 0.41 -0.20 -0.42
80 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
81 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.61 -0.03 -0.03 -0.03 -0.30 -0.03 -0.03 -0.61 -0.61 -0.03 -0.03 -0.03
82 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
83 0.41 0.41 -0.68 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 0.41 0.41 -0.68 0.41 0.41 0.41
84 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
85 -0.30 -0.03 -0.03 -0.03 -0.03 -0.30 -0.30 -0.03 -0.03 -0.30 -0.03 -0.03 -0.30 -0.03 -0.03 -0.03 -0.30 -0.03 -0.03 -0.30
86 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
87 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
88 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -1.63 -0.94 -0.94 -0.94 -0.94
89 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
90 0.52 1.14 1.14 1.14 1.14 0.52 1.14 1.14 1.14 0.52 1.14 0.52 0.52 1.14 1.14 1.14 1.14 1.14 1.14 0.52
91 -0.11 -0.11 -0.11 -0.11 0.64 -0.11 -0.11 0.64 -0.11 -0.11 0.44 -0.07 -0.11 -0.11 0.64 -0.11 0.64 0.64 0.44 -0.11
92 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
93 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
94 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
95 0.64 0.59 0.59 0.59 0.59 0.64 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
96 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
97 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
100 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
101 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
102 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
115 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
116 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 1.29 -0.35 -0.35 -0.35 -0.35
117 -0.33 0.77 0.77 1.06 0.77 0.77 1.06 0.77 -0.33 0.77 0.77 0.77 1.06 1.06 0.77 0.77 0.77 1.06 0.77 0.77
118 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
119 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
120 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.20 -0.41 -0.41 0.20 0.20 0.20 -0.41 -0.41 0.20
121 1.28 1.28 1.28 0.87 1.28 1.28 1.28 1.28 1.28 0.87 1.28 1.28 1.28 1.28 1.28 1.28 0.87 0.87 1.28 1.28
122 0.66 0.07 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.07 0.07 0.66 0.66 0.66 0.66 0.66
123 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25
124 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46
125 1.01 1.01 1.01 1.01 1.11 1.11 1.01 1.11 1.01 1.01 1.11 1.01 1.01 1.11 1.11 1.11 1.01 1.01 1.01 1.11
126 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
127 -0.20 0.56 0.56 -0.20 0.56 -0.20 0.56 0.56 -0.20 -0.20 0.56 0.56 -0.20 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20
128 -0.02 -0.58 -0.58 -0.58 -0.02 -0.58 -0.58 -0.02 -0.58 -0.58 -0.58 -0.02 -0.58 -0.02 -0.02 -0.58 -0.02 -0.58 -0.58 -0.58
129 -0.09 -0.40 -0.74 -0.40 -0.09 -0.09 -0.09 -0.09 -0.74 -0.40 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.40 0.66
130 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 0.25 0.44 0.44 0.44 0.44
131 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47
132 1.40 1.40 1.40 1.04 1.40 1.04 1.40 1.04 1.40 1.40 1.04 1.40 1.40 1.04 1.40 1.40 1.04 1.40 1.40 1.04
133 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
134 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
135 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
136 0.82 -0.34 0.82 -0.34 -0.34 0.82 0.82 -0.34 0.82 0.82 0.82 -0.34 -0.34 0.82 -0.34 -0.34 0.82 0.82 0.82 0.82
137 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
138 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26
139 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
140 1.30 1.30 1.30 1.30 1.30 -0.30 1.30 -0.30 1.30 1.30 1.30 1.30 -0.30 -0.30 0.71 -0.30 1.30 1.30 -0.30 1.30
141 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
142 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
143 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
144 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25
145 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.11 1.01
146 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
147 0.44 0.44 0.44 0.44 0.44 -0.02 -0.02 -0.02 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
148 -0.62 -0.62 -1.25 -0.62 -0.62 -0.62 -0.62 -1.25 -1.25 -0.62 -0.62 -1.25 -0.62 -0.62 -0.62 -0.62 -1.25 0.30 -0.62 -0.62
149 -0.58 -0.58 -2.15 -0.58 0.09 -2.15 0.62 -0.58 0.09 0.62 0.62 -0.43 -0.43 0.62 0.09 -0.58 -2.15 0.09 0.62 -0.58
150 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
151 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.41 -0.41 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.41 -0.25 -0.25
152 0.29 0.29 0.29 0.29 0.44 0.29 0.44 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.29 0.29
153 1.30 1.30 1.30 0.71 0.71 1.30 0.16 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71
154 0.55 0.55 1.11 0.55 0.55 -0.06 0.55 0.55 -0.02 1.11 1.11 1.11 0.55 1.11 0.55 1.11 0.55 0.55 0.55 0.55
155 0.29 0.29 0.29 0.29 0.62 0.29 0.62 0.62 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.29 0.62 0.29 0.29
156 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
157 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
158 -0.09 -0.74 -0.09 -0.09 -0.74 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.74 -0.09 -0.74 -0.74 -0.09 -0.09 -0.09
159 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
#Reported_Model_Average 0.416 0.358 0.410 0.386 0.417 0.398 0.431 0.444 0.402 0.422 0.457 0.387 0.378 0.419 0.431 0.392 0.404 0.420 0.413 0.389
#Overall_Average_Reported 0.409
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
4.000 3 1 0 2 1 0 0 1 1 4 0 0 0 0 0 0 0 1 0 0
5.000 0 1 1 2 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1
6.000 1 0 0 1 0 2 1 0 1 0 0 1 1 2 0 2 1 0 1 1
7.000 0 0 0 0 1 1 0 1 1 2 1 0 0 1 0 0 0 2 3 0
8.000 1 3 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 1 1 0
9.000 0 1 2 1 1 1 1 1 1 1 1 0 1 2 2 1 1 1 1 2
10.000 2 0 0 1 0 1 1 0 1 0 0 1 1 1 0 1 1 0 1 1
11.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
12.000 0 1 0 1 0 0 1 0 0 0 1 1 1 0 2 0 1 0 0 0
13.000 1 0 0 1 0 1 0 0 3 0 1 0 1 1 1 1 0 0 0 1
14.000 1 2 0 2 0 0 1 0 0 0 2 1 1 0 1 1 1 0 0 1
15.000 1 1 2 0 0 1 1 1 0 0 1 1 0 1 0 1 1 0 1 1
16.000 5 4 0 6 5 1 4 3 4 3 0 1 3 1 0 1 3 4 1 1
17.000 2 0 2 1 2 0 0 0 0 0 2 0 0 1 0 0 1 0 2 0
22.000 0 0 1 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0
23.000 6 1 3 4 2 3 1 0 0 2 2 2 0 0 1 0 6 2 4 0
24.000 0 0 0 0 1 0 1 0 0 0 0 0 0 2 0 3 0 1 0 0
25.000 2 1 1 3 1 0 1 2 1 1 1 1 0 0 1 1 2 0 2 1
26.000 0 0 0 1 0 0 0 0 0 1 0 2 0 0 1 3 0 0 0 0
27.000 0 1 1 3 2 3 3 3 0 1 1 3 0 2 1 4 1 1 0 0
28.000 2 1 0 3 1 2 1 2 1 3 0 1 1 1 0 1 2 0 1 0
29.000 1 1 3 1 1 0 1 1 2 1 1 1 0 0 1 1 1 1 1 1
30.000 1 2 0 0 2 0 2 3 2 1 2 2 3 0 0 0 0 0 0 3
31.000 2 1 1 3 7 1 3 2 3 1 2 2 1 2 1 0 2 2 2 2
32.000 0 1 0 1 1 0 0 0 3 1 0 0 1 2 2 1 1 1 2 1
33.000 0 2 3 0 0 0 1 1 1 1 0 1 3 0 0 0 0 3 4 1
34.000 2 2 0 1 1 0 1 1 2 1 2 2 1 1 0 0 1 0 0 1
35.000 0 4 0 2 3 2 2 1 1 1 0 0 1 1 0 0 2 4 2 1
36.000 1 2 0 2 2 1 1 2 1 1 1 1 1 3 1 0 3 3 2 2
37.000 0 1 1 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 1 0
38.000 0 1 0 1 0 2 0 0 1 0 0 0 0 0 0 1 0 1 0 1
39.000 1 2 1 2 2 0 1 2 1 1 1 2 2 2 1 1 2 4 3 3
40.000 1 1 0 2 1 2 1 1 0 1 2 1 0 2 2 0 1 1 1 0
41.000 0 0 0 3 0 2 0 1 0 0 1 0 0 0 0 0 1 0 0 0
42.000 2 2 0 0 0 0 0 0 2 0 3 0 0 0 0 1 0 0 0 0
43.000 3 2 1 2 3 0 1 1 1 2 4 2 1 2 3 2 1 2 2 1
44.000 0 0 1 1 0 3 0 0 0 0 1 0 0 1 1 1 1 0 0 0
45.000 0 0 0 0 0 0 0 2 0 0 1 0 0 0 1 0 0 0 0 0
46.000 1 0 1 2 1 1 1 0 0 2 1 1 0 2 0 1 0 1 1 0
47.000 0 1 1 1 2 3 0 0 0 1 3 1 0 1 2 2 2 1 1 0
48.000 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0
49.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
50.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
51.000 1 0 0 1 0 2 0 0 1 0 0 0 0 0 0 1 0 1 1 0
52.000 0 0 1 0 1 0 1 0 0 2 1 1 0 2 0 0 0 0 0 0
54.000 5 2 4 3 0 1 0 0 1 0 4 0 1 0 0 1 2 1 0 4
55.000 4 1 2 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 2 0
56.000 2 0 0 1 0 0 2 1 1 1 0 1 0 0 0 0 2 1 3 6
57.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
58.000 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 0
59.000 0 0 0 1 0 1 0 2 0 0 0 0 0 0 1 0 0 0 2 0
60.000 0 0 4 0 0 0 0 0 0 0 0 0 0 0 2 2 0 0 4 0
61.000 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 1 0
62.000 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
63.000 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
64.000 1 0 2 1 0 0 0 2 0 0 0 0 1 0 0 0 0 2 2 0
65.000 0 0 1 1 0 2 0 0 0 1 0 1 0 1 1 0 0 1 3 3
66.000 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1
67.000 0 1 0 1 0 0 2 1 1 0 0 2 0 1 0 0 0 0 1 1
68.000 2 2 0 0 0 0 1 3 0 1 0 0 1 0 0 0 3 1 0 1
69.000 0 0 2 1 0 1 0 0 0 1 1 0 0 0 0 2 0 1 0 2
70.000 4 3 2 2 2 1 4 6 0 2 2 0 3 1 0 0 2 3 2 0
71.000 1 0 0 0 1 1 0 0 2 0 1 0 2 0 2 0 0 0 0 0
72.000 0 0 0 2 2 0 2 0 1 1 0 0 0 0 0 0 2 0 0 2
73.000 2 0 0 0 0 1 0 0 0 0 0 0 2 0 1 0 1 0 0 0
76.000 0 0 1 0 0 1 1 1 0 0 2 0 2 1 1 0 3 0 1 0
77.000 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 2
78.000 1 0 2 0 2 0 1 0 2 0 1 0 2 0 1 0 1 1 1 0
79.000 2 2 2 2 0 1 3 3 0 2 2 0 3 1 0 1 2 2 1 0
80.000 1 0 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1
81.000 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 3 0 0 3
82.000 2 0 1 1 1 2 0 0 1 1 1 1 0 1 1 1 2 3 0 1
83.000 0 1 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0
84.000 0 1 2 2 1 4 1 2 1 1 3 1 2 2 2 0 0 2 1 1
85.000 1 0 0 1 0 0 0 1 2 0 0 0 0 1 0 1 0 0 2 0
86.000 3 2 2 0 2 3 2 2 0 3 0 1 2 0 0 0 1 0 0 0
87.000 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 0 0 1 0
88.000 0 1 4 0 0 1 1 0 0 0 0 1 2 1 1 0 4 0 0 0
89.000 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1
90.000 4 3 3 0 3 2 3 2 1 2 2 2 0 2 1 2 2 0 2 2
91.000 2 2 1 0 2 2 2 2 2 2 3 3 1 4 1 3 1 0 2 2
92.000 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1
93.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1
94.000 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0
95.000 1 3 1 0 0 0 0 1 2 0 2 0 0 1 1 0 1 0 0 0
96.000 0 1 0 1 1 0 0 0 0 1 3 0 0 2 1 2 0 0 0 2
97.000 0 1 4 1 1 2 2 1 4 1 4 1 4 2 1 1 1 4 1 1
100.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
101.000 1 0 2 0 2 0 0 0 0 0 1 0 1 0 0 0 0 0 0 2
102.000 1 3 1 4 0 1 1 0 2 0 0 0 0 0 0 0 1 1 0 0
115.000 0 0 1 2 0 0 2 0 0 0 2 0 1 1 0 1 1 0 0 1
116.000 0 0 2 0 0 2 0 0 0 0 1 0 1 0 0 0 1 0 0 0
117.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 2 0 0 1
118.000 1 2 0 0 0 0 2 0 0 0 0 2 0 0 0 2 1 0 0 2
119.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1
120.000 0 1 0 0 0 0 1 1 0 0 0 0 1 0 0 1 1 0 0 0
121.000 1 1 0 0 0 0 2 0 0 1 0 2 0 0 0 2 1 0 0 2
122.000 0 2 1 1 1 1 1 1 1 2 1 2 1 0 2 1 1 1 2 3
123.000 1 2 1 1 1 1 2 2 1 2 1 3 2 0 2 3 2 1 3 2
124.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
125.000 1 2 0 2 2 0 1 2 0 1 0 1 1 2 2 1 1 2 1 1
126.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
127.000 1 0 0 2 0 0 0 0 0 0 0 1 0 0 0 1 0 2 0 0
128.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 0 0 1
129.000 2 1 0 3 1 2 2 1 0 1 0 2 3 2 1 3 1 2 2 3
130.000 2 2 1 1 1 3 1 0 2 2 1 2 3 3 1 3 1 3 2 2
131.000 2 4 4 1 2 2 1 2 2 2 2 2 0 3 1 2 2 1 3 1
132.000 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 2 1 0 1
133.000 0 0 1 3 0 0 0 0 0 1 2 0 1 0 1 0 0 1 1 1
134.000 0 1 1 3 2 0 0 1 0 0 2 1 2 0 1 1 0 1 1 0
135.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0
136.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
137.000 0 2 0 0 2 0 0 1 1 1 1 0 1 1 1 1 0 1 0 0
138.000 1 0 1 0 0 0 0 1 2 0 0 2 0 0 0 2 0 0 0 0
139.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1
140.000 1 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0
141.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 0
142.000 1 1 2 1 1 1 0 0 0 0 1 2 1 1 1 1 0 2 0 1
143.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
144.000 1 0 0 1 1 0 0 1 0 0 0 1 1 2 1 1 0 1 1 1
145.000 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0
146.000 3 1 1 1 2 3 0 0 0 1 1 0 1 1 1 3 0 1 0 3
147.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
148.000 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 0 1 1 0
149.000 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0
150.000 3 1 4 2 3 4 1 2 2 3 2 2 3 1 2 2 2 1 2 3
151.000 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1
152.000 0 1 0 1 0 3 0 0 0 1 1 2 0 0 0 0 0 1 1 0
153.000 2 1 0 3 1 2 1 2 1 0 2 4 2 1 2 3 4 1 3 0
154.000 0 0 3 2 3 0 0 1 1 1 1 1 2 0 2 0 1 0 1 1
155.000 0 0 0 0 0 3 1 0 0 1 0 1 0 2 0 0 0 0 0 1
156.000 0 2 2 2 2 0 0 0 0 0 1 1 3 0 1 1 2 2 2 0
157.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
158.000 0 0 3 0 0 1 0 0 0 0 1 1 0 0 0 0 1 0 1 0
159.000 2 0 2 2 2 1 0 0 0 0 1 1 2 1 2 1 1 0 2 0
#Reported_Model_Average 0.837 0.763 0.815 0.926 0.726 0.719 0.644 0.674 0.548 0.615 0.726 0.681 0.733 0.667 0.541 0.667 0.807 0.689 0.793 0.763
#Overall_Average_Reported 0.717
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 102 LEU 2HD2 :A 153 LEU HG : -0.819: 0
: 2868:A 159 ILE 2HG1 :A 153 LEU 2HB : -0.533: 0
: 2868:A 159 ILE 2HG2 :A 161 HIS 1HB : -0.520: 0
: 2868:A 53 TRP 2HB :A 54 PHE HD1 : -0.806: 0
: 2868:A 82 ILE 1HD1 :A 56 LEU 1HD2 : -0.531: 0
: 2868:A 53 TRP 2HB :A 54 PHE CD1 : -0.483: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.471: 0
: 2868:A 42 TYR CD2 :A 138 MET 1HE : -0.461: 0
: 2868:A 54 PHE HE1 :A 42 TYR HD2 : -0.450: 0
: 2868:A 54 PHE 2HB :A 53 TRP HE3 : -0.433: 0
: 2868:A 54 PHE HD2 :A 56 LEU 3HD2 : -0.410: 0
: 2868:A 75 LEU 1HB :A 172 HIS 1HB : -0.755: 0
: 2868:A 75 LEU 2HD2 :A 74 ASP C : -0.500: 0
: 2868:A 75 LEU 1HD2 :A 174 HIS 1HB : -0.472: 0
: 2868:A 55 ARG 1HH2 :A 43 VAL 1HG2 : -0.708: 0
: 2868:A 55 ARG NE :A 55 ARG HA : -0.614: 0
: 2868:A 43 VAL 1HG2 :A 55 ARG NH2 : -0.473: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.432: 0
: 2868:A 70 TRP 2HB :A 79 GLU 2HB : -0.675: 0
: 2868:A 70 TRP HZ3 :A 68 LYS 2HG : -0.626: 0
: 2868:A 70 TRP HA :A 79 GLU HA : -0.550: 0
: 2868:A 68 LYS 2HG :A 70 TRP CZ3 : -0.427: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.666: 0
: 2868:A 90 TYR CG :A 91 PRO HA : -0.565: 0
: 2868:A 25 ARG HA :A 28 TRP 2HB : -0.562: 0
: 2868:A 25 ARG O :A 29 VAL 3HG2 : -0.559: 0
: 2868:A 90 TYR CD1 :A 95 PRO 2HD : -0.425: 0
: 2868:A 86 ILE 1HG2 :A 28 TRP CH2 : -0.414: 0
: 2868:A 87 PRO 1HD :A 86 ILE HA : -0.414: 0
: 2868:A 86 ILE 3HG2 :A 90 TYR CD2 : -0.410: 0
: 2868:A 46 ASN 2HB :A 51 ASN O : -0.662: 0
: 2868:A 16 LEU 3HD2 :A 31 ARG 1HG : -0.636: 0
: 2868:A 30 GLN O :A 34 GLU 2HG : -0.448: 0
: 2868:A 31 ARG 1HG :A 16 LEU CD2 : -0.421: 0
: 2868:A 16 LEU 2HD1 :A 16 LEU N : -0.419: 0
: 2868:A 16 LEU HG :A 34 GLU 2HB : -0.402: 0
: 2868:A 165 CYS SG :A 168 LEU 1HB : -0.634: 0
: 2868:A 151 PRO 1HD :A 150 ILE N : -0.613: 0
: 2868:A 146 LEU HG :A 142 LEU O : -0.612: 0
: 2868:A 146 LEU O :A 150 ILE HB : -0.530: 0
: 2868:A 146 LEU HA :A 150 ILE 1HG1 : -0.511: 0
: 2868:A 113 GLY O :A 98 ALA HA : -0.591: 0
: 2868:A 4 GLU O :A 8 ARG 2HG : -0.574: 0
: 2868:A 4 GLU CD :A 4 GLU H : -0.424: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.549: 0
: 2868:A 15 VAL HB :A 131 LYS 2HB : -0.547: 0
: 2868:A 130 PRO HA :A 129 VAL HA : -0.436: 0
: 2868:A 131 LYS H :A 130 PRO 1HB : -0.411: 0
: 2868:A 85 ASP HA :A 64 ARG HA : -0.536: 0
: 2868:A 23 ARG NE :A 23 ARG HA : -0.533: 0
: 2868:A 23 ARG CZ :A 23 ARG HA : -0.525: 0
: 2868:A 23 ARG 1HH1 :A 23 ARG 2HD : -0.415: 0
: 2868:A 10 VAL 1HG2 :A 140 LEU 1HD2 : -0.515: 0
: 2868:A 6 THR O :A 10 VAL 3HG2 : -0.471: 0
: 2868:A 148 VAL 3HG2 :A 144 PRO O : -0.485: 0
: 2868:A 62 GLY 1HA :A 58 SER OG : -0.471: 0
: 2868:A 121 PHE 1HB :A 118 THR 3HG2 : -0.470: 0
: 2868:A 167 GLN HA :A 167 GLN OE1 : -0.464: 0
: 2868:A 78 TYR HE1 :A 73 HIS 2HB : -0.448: 0
: 2868:A 71 TYR CE2 :A 73 HIS 1HB : -0.405: 0
: 2868:A 127 ARG 2HG :A 123 PRO O : -0.438: 0
: 2868:A 17 LYS H :A 17 LYS 2HD : -0.431: 0
: 2868:A 14 PRO 1HD :A 13 ILE HA : -0.431: 0
: 2868:A 80 PHE HD1 :A 101 GLU 1HG : -0.430: 0
: 2868:A 40 ILE 2HG1 :A 36 TYR O : -0.405: 0
#sum2 ::22.66 clashscore : 22.66 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320759 potential dots:20050.0 A^2:65 bumps:65 bumps B<40:694.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 102 LEU 1HB :A 109 MET 1HE : -0.870: 0
: 2868:A 109 MET 1HE :A 99 VAL HB : -0.509: 0
: 2868:A 99 VAL HB :A 109 MET CE : -0.508: 0
: 2868:A 102 LEU 3HD2 :A 105 LYS 1HD : -0.498: 0
: 2868:A 105 LYS 2HB :A 102 LEU HA : -0.400: 0
: 2868:A 16 LEU 1HD2 :A 35 GLU 1HG : -0.758: 0
: 2868:A 15 VAL HB :A 131 LYS 2HB : -0.599: 0
: 2868:A 39 LEU HG :A 35 GLU O : -0.563: 0
: 2868:A 16 LEU HG :A 34 GLU 2HB : -0.547: 0
: 2868:A 16 LEU 1HD2 :A 35 GLU CG : -0.498: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.490: 0
: 2868:A 34 GLU 1HG :A 30 GLN O : -0.473: 0
: 2868:A 31 ARG 1HH1 :A 35 GLU 2HG : -0.465: 0
: 2868:A 30 GLN HA :A 33 LYS 1HG : -0.456: 0
: 2868:A 47 LYS 2HG :A 43 VAL O : -0.449: 0
: 2868:A 33 LYS O :A 37 GLN 1HG : -0.438: 0
: 2868:A 16 LEU O :A 131 LYS HA : -0.437: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.415: 0
: 2868:A 131 LYS H :A 130 PRO 1HB : -0.409: 0
: 2868:A 114 LYS 1HG :A 98 ALA 2HB : -0.756: 0
: 2868:A 114 LYS HA :A 98 ALA HA : -0.530: 0
: 2868:A 114 LYS 2HD :A 96 GLU 1HB : -0.499: 0
: 2868:A 156 LYS 1HE :A 153 LEU HA : -0.637: 0
: 2868:A 152 ASP O :A 156 LYS 2HG : -0.514: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.597: 0
: 2868:A 79 GLU 1HG :A 70 TRP 2HB : -0.596: 0
: 2868:A 68 LYS HA :A 81 ASP HA : -0.526: 0
: 2868:A 70 TRP HE3 :A 68 LYS 1HG : -0.430: 0
: 2868:A 79 GLU 1HG :A 70 TRP CB : -0.409: 0
: 2868:A 134 LEU 3HD1 :A 95 PRO 1HG : -0.582: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.558: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.542: 0
: 2868:A 137 LEU 2HD2 :A 95 PRO 1HD : -0.516: 0
: 2868:A 90 TYR CG :A 91 PRO HA : -0.480: 0
: 2868:A 95 PRO 2HD :A 90 TYR HE1 : -0.425: 0
: 2868:A 137 LEU 1HB :A 125 TRP CZ3 : -0.411: 0
: 2868:A 28 TRP HH2 :A 86 ILE 1HG2 : -0.554: 0
: 2868:A 87 PRO 1HD :A 86 ILE HA : -0.428: 0
: 2868:A 55 ARG O :A 67 GLY 2HA : -0.538: 0
: 2868:A 25 ARG O :A 29 VAL 3HG2 : -0.535: 0
: 2868:A 146 LEU HG :A 142 LEU O : -0.511: 0
: 2868:A 27 LEU 2HD1 :A 18 THR 3HG2 : -0.509: 0
: 2868:A 161 HIS HD2 :A 164 LYS 1HD : -0.509: 0
: 2868:A 54 PHE HZ :A 42 TYR HE2 : -0.508: 0
: 2868:A 42 TYR HE2 :A 54 PHE CZ : -0.430: 0
: 2868:A 14 PRO 2HD :A 12 GLU O : -0.507: 0
: 2868:A 14 PRO 1HD :A 38 SER HA : -0.465: 0
: 2868:A 36 TYR 1HB :A 32 LEU O : -0.502: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.502: 0
: 2868:A 40 ILE 2HG1 :A 36 TYR O : -0.449: 0
: 2868:A 151 PRO 1HD :A 150 ILE N : -0.475: 0
: 2868:A 83 GLU HA :A 66 PHE HA : -0.474: 0
: 2868:A 123 PRO CD :A 122 LYS 2HB : -0.467: 0
: 2868:A 122 LYS 2HB :A 123 PRO 2HD : -0.444: 0
: 2868:A 88 ILE 3HG2 :A 23 ARG 2HG : -0.451: 0
: 2868:A 120 HIS H :A 118 THR 2HG2 : -0.450: 0
: 2868:A 118 THR HB :A 121 PHE 1HB : -0.402: 0
: 2868:A 169 GLU CD :A 169 GLU H : -0.431: 0
: 2868:A 4 GLU O :A 8 ARG 2HG : -0.412: 0
: 2868:A 8 ARG 1HH1 :A 8 ARG 1HD : -0.404: 0
#sum2 ::20.92 clashscore : 20.92 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320404 potential dots:20030.0 A^2:60 bumps:60 bumps B<40:690.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 65 TRP 1HB :A 84 PHE 1HB : -1.000: 0
: 2868:A 142 LEU 2HD1 :A 97 ILE 3HD1 : -0.516: 0
: 2868:A 97 ILE 2HD1 :A 115 ILE 3HD1 : -0.513: 0
: 2868:A 146 LEU HG :A 142 LEU O : -0.473: 0
: 2868:A 97 ILE O :A 114 LYS HA : -0.470: 0
: 2868:A 97 ILE 1HG1 :A 84 PHE CD2 : -0.410: 0
: 2868:A 70 TRP 2HB :A 79 GLU HA : -0.733: 0
: 2868:A 70 TRP 2HB :A 79 GLU CA : -0.426: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.727: 0
: 2868:A 90 TYR CE1 :A 95 PRO 2HD : -0.543: 0
: 2868:A 90 TYR O :A 21 GLY 2HA : -0.537: 0
: 2868:A 64 ARG 2HH2 :A 83 GLU 2HB : -0.726: 0
: 2868:A 83 GLU 2HB :A 64 ARG NH2 : -0.412: 0
: 2868:A 75 LEU 2HD1 :A 164 LYS HA : -0.682: 0
: 2868:A 108 LYS 2HB :A 108 LYS NZ : -0.682: 0
: 2868:A 108 LYS 2HB :A 108 LYS 3HZ : -0.590: 0
: 2868:A 75 LEU 3HD1 :A 75 LEU O : -0.568: 0
: 2868:A 108 LYS 2HB :A 107 ALA O : -0.566: 0
: 2868:A 109 MET H :A 107 ALA C : -0.429: 0
: 2868:A 75 LEU 2HB :A 164 LYS 2HG : -0.406: 0
: 2868:A 60 LYS H :A 60 LYS 2HD : -0.651: 0
: 2868:A 60 LYS 1HE :A 60 LYS 1HB : -0.402: 0
: 2868:A 168 LEU 2HD1 :A 165 CYS HA : -0.650: 0
: 2868:A 170 HIS 1HB :A 168 LEU 2HD2 : -0.518: 0
: 2868:A 52 ASP HA :A 46 ASN 2HB : -0.624: 0
: 2868:A 15 VAL HB :A 131 LYS 2HB : -0.618: 0
: 2868:A 131 LYS 1HB :A 131 LYS NZ : -0.547: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.448: 0
: 2868:A 136 HIS HE1 :A 15 VAL HA : -0.442: 0
: 2868:A 47 LYS 1HG :A 44 GLU HA : -0.605: 0
: 2868:A 25 ARG O :A 29 VAL 3HG2 : -0.600: 0
: 2868:A 33 LYS O :A 37 GLN 1HG : -0.556: 0
: 2868:A 33 LYS 2HG :A 29 VAL O : -0.414: 0
: 2868:A 29 VAL 2HG1 :A 33 LYS 1HE : -0.407: 0
: 2868:A 54 PHE CD2 :A 53 TRP 2HB : -0.575: 0
: 2868:A 69 CYS HA :A 54 PHE 2HB : -0.454: 0
: 2868:A 53 TRP 2HB :A 54 PHE HD2 : -0.448: 0
: 2868:A 54 PHE 2HB :A 69 CYS SG : -0.407: 0
: 2868:A 151 PRO 2HD :A 150 ILE HB : -0.574: 0
: 2868:A 158 VAL 1HG2 :A 156 LYS 2HE : -0.572: 0
: 2868:A 159 ILE 2HD1 :A 154 ILE 1HG1 : -0.529: 0
: 2868:A 158 VAL CG2 :A 156 LYS 2HE : -0.523: 0
: 2868:A 78 TYR HD1 :A 80 PHE HE1 : -0.504: 0
: 2868:A 154 ILE 2HG1 :A 150 ILE O : -0.481: 0
: 2868:A 150 ILE 1HG2 :A 78 TYR CE1 : -0.463: 0
: 2868:A 159 ILE 2HD1 :A 154 ILE CG1 : -0.434: 0
: 2868:A 80 PHE HA :A 101 GLU 1HG : -0.425: 0
: 2868:A 158 VAL 1HG1 :A 105 LYS 1HG : -0.416: 0
: 2868:A 105 LYS 1HE :A 101 GLU O : -0.414: 0
: 2868:A 80 PHE CZ :A 150 ILE 2HD1 : -0.409: 0
: 2868:A 22 PRO 1HB :A 88 ILE 3HG2 : -0.568: 0
: 2868:A 23 ARG 1HD :A 88 ILE 2HG2 : -0.475: 0
: 2868:A 23 ARG 1HD :A 88 ILE CG2 : -0.420: 0
: 2868:A 88 ILE 2HG2 :A 23 ARG CD : -0.416: 0
: 2868:A 86 ILE HB :A 63 THR HA : -0.533: 0
: 2868:A 162 LYS HA :A 162 LYS 2HE : -0.533: 0
: 2868:A 162 LYS HA :A 162 LYS CE : -0.468: 0
: 2868:A 87 PRO 1HD :A 86 ILE HA : -0.402: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 3HG1 : -0.524: 0
: 2868:A 116 CYS 2HB :A 110 TYR HE1 : -0.505: 0
: 2868:A 110 TYR CE1 :A 116 CYS 2HB : -0.476: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.491: 0
: 2868:A 123 PRO CD :A 122 LYS 1HB : -0.454: 0
: 2868:A 8 ARG 2HG :A 9 VAL N : -0.451: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.429: 0
: 2868:A 134 LEU O :A 138 MET 1HG : -0.442: 0
: 2868:A 76 LEU H :A 74 ASP C : -0.427: 0
: 2868:A 133 GLY 1HA :A 31 ARG NH2 : -0.426: 0
: 2868:A 27 LEU 2HB :A 20 ALA CB : -0.424: 0
: 2868:A 17 LYS N :A 17 LYS 1HD : -0.410: 0
: 2868:A 169 GLU HA :A 172 HIS 2HB : -0.405: 0
: 2868:A 111 ARG HA :A 111 ARG 1HD : -0.404: 0
: 2868:A 102 LEU O :A 106 THR 2HG2 : -0.404: 0
: 2868:A 55 ARG HA :A 55 ARG 1HD : -0.401: 0
#sum2 ::25.80 clashscore : 25.80 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320493 potential dots:20030.0 A^2:74 bumps:74 bumps B<40:658.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 102 LEU HA :A 105 LYS 2HD : -0.837: 0
: 2868:A 106 THR 2HG2 :A 102 LEU O : -0.586: 0
: 2868:A 105 LYS CD :A 102 LEU HA : -0.574: 0
: 2868:A 102 LEU 2HB :A 106 THR 2HG2 : -0.473: 0
: 2868:A 105 LYS 1HD :A 105 LYS N : -0.462: 0
: 2868:A 23 ARG HA :A 23 ARG HE : -0.811: 0
: 2868:A 23 ARG HA :A 23 ARG NE : -0.539: 0
: 2868:A 114 LYS 1HB :A 111 ARG 2HB : -0.681: 0
: 2868:A 114 LYS 1HD :A 96 GLU 1HB : -0.641: 0
: 2868:A 26 GLU 2HG :A 27 LEU 2HD2 : -0.616: 0
: 2868:A 27 LEU 3HD1 :A 27 LEU HA : -0.438: 0
: 2868:A 46 ASN 2HB :A 51 ASN O : -0.607: 0
: 2868:A 53 TRP 2HB :A 54 PHE HD1 : -0.600: 0
: 2868:A 54 PHE 2HB :A 53 TRP HE3 : -0.518: 0
: 2868:A 53 TRP 2HB :A 54 PHE CD1 : -0.417: 0
: 2868:A 53 TRP 1HB :A 46 ASN ND2 : -0.413: 0
: 2868:A 25 ARG HA :A 28 TRP 2HB : -0.600: 0
: 2868:A 32 LEU HG :A 28 TRP O : -0.547: 0
: 2868:A 25 ARG HA :A 28 TRP CB : -0.546: 0
: 2868:A 25 ARG O :A 29 VAL 3HG2 : -0.524: 0
: 2868:A 75 LEU 2HB :A 164 LYS 2HB : -0.599: 0
: 2868:A 69 CYS SG :A 80 PHE 1HB : -0.598: 0
: 2868:A 122 LYS 2HB :A 123 PRO 2HD : -0.580: 0
: 2868:A 133 GLY 1HA :A 31 ARG NH2 : -0.560: 0
: 2868:A 16 LEU 2HD2 :A 31 ARG CZ : -0.541: 0
: 2868:A 16 LEU O :A 131 LYS HA : -0.512: 0
: 2868:A 31 ARG 2HH2 :A 133 GLY 1HA : -0.467: 0
: 2868:A 35 GLU HA :A 16 LEU 1HD2 : -0.466: 0
: 2868:A 16 LEU 3HD1 :A 133 GLY 2HA : -0.463: 0
: 2868:A 134 LEU 1HD2 :A 84 PHE HE1 : -0.434: 0
: 2868:A 84 PHE CE1 :A 134 LEU 1HD2 : -0.429: 0
: 2868:A 16 LEU 2HD1 :A 16 LEU N : -0.410: 0
: 2868:A 134 LEU H :A 35 GLU CD : -0.403: 0
: 2868:A 159 ILE HB :A 154 ILE HA : -0.552: 0
: 2868:A 151 PRO 1HD :A 150 ILE N : -0.509: 0
: 2868:A 149 GLU O :A 153 LEU 3HD2 : -0.452: 0
: 2868:A 153 LEU 3HD1 :A 156 LYS 2HD : -0.431: 0
: 2868:A 159 ILE 1HG1 :A 153 LEU 2HB : -0.413: 0
: 2868:A 154 ILE 2HG1 :A 150 ILE O : -0.411: 0
: 2868:A 156 LYS 2HG :A 152 ASP O : -0.409: 0
: 2868:A 129 VAL 1HG1 :A 92 THR HA : -0.542: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.505: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.502: 0
: 2868:A 94 ALA 2HB :A 125 TRP CE2 : -0.410: 0
: 2868:A 44 GLU 2HG :A 40 ILE O : -0.532: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.507: 0
: 2868:A 43 VAL O :A 47 LYS 1HG : -0.486: 0
: 2868:A 40 ILE 2HG1 :A 36 TYR O : -0.482: 0
: 2868:A 36 TYR HA :A 39 LEU 2HD1 : -0.423: 0
: 2868:A 113 GLY O :A 98 ALA HA : -0.525: 0
: 2868:A 115 ILE 1HG1 :A 97 ILE O : -0.511: 0
: 2868:A 109 MET SD :A 103 ASP HA : -0.506: 0
: 2868:A 115 ILE HA :A 109 MET HA : -0.496: 0
: 2868:A 146 LEU HG :A 142 LEU O : -0.510: 0
: 2868:A 55 ARG O :A 67 GLY 2HA : -0.507: 0
: 2868:A 4 GLU CD :A 4 GLU H : -0.496: 0
: 2868:A 41 ARG O :A 41 ARG 2HD : -0.490: 0
: 2868:A 12 GLU O :A 41 ARG 1HD : -0.430: 0
: 2868:A 148 VAL 3HG2 :A 144 PRO O : -0.487: 0
: 2868:A 8 ARG NE :A 5 ALA HA : -0.480: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.440: 0
: 2868:A 79 GLU 1HG :A 70 TRP CD1 : -0.465: 0
: 2868:A 79 GLU 1HG :A 70 TRP HD1 : -0.426: 0
: 2868:A 6 THR O :A 10 VAL 3HG2 : -0.461: 0
: 2868:A 162 LYS 2HD :A 160 GLN NE2 : -0.458: 0
: 2868:A 163 GLU H :A 162 LYS 2HG : -0.447: 0
: 2868:A 85 ASP O :A 87 PRO 2HD : -0.443: 0
: 2868:A 14 PRO 1HD :A 13 ILE HA : -0.425: 0
: 2868:A 38 SER HA :A 14 PRO 1HG : -0.420: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.421: 0
: 2868:A 72 ILE N :A 72 ILE 2HD1 : -0.420: 0
: 2868:A 64 ARG 2HB :A 59 ASN ND2 : -0.413: 0
: 2868:A 127 ARG 1HH1 :A 127 ARG 1HD : -0.403: 0
: 2868:A 17 LYS 1HG :A 34 GLU OE1 : -0.400: 0
: 2868:A 56 LEU HG :A 65 TRP HE3 : -0.400: 0
#sum2 ::26.15 clashscore : 26.15 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320846 potential dots:20050.0 A^2:75 bumps:75 bumps B<40:575.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 16 LEU O :A 131 LYS HA : -0.771: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.589: 0
: 2868:A 35 GLU HA :A 16 LEU 1HD2 : -0.554: 0
: 2868:A 47 LYS 1HE :A 43 VAL 2HG1 : -0.540: 0
: 2868:A 16 LEU 2HD2 :A 31 ARG 2HH1 : -0.527: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.510: 0
: 2868:A 19 ASN OD1 :A 31 ARG 1HD : -0.464: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.445: 0
: 2868:A 47 LYS 2HG :A 43 VAL O : -0.443: 0
: 2868:A 39 LEU HG :A 35 GLU O : -0.439: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.439: 0
: 2868:A 137 LEU 3HD1 :A 125 TRP CZ3 : -0.433: 0
: 2868:A 134 LEU H :A 35 GLU CD : -0.429: 0
: 2868:A 16 LEU 2HD1 :A 16 LEU N : -0.421: 0
: 2868:A 134 LEU O :A 137 LEU 2HB : -0.419: 0
: 2868:A 31 ARG 2HG :A 31 ARG NH1 : -0.416: 0
: 2868:A 31 ARG 2HG :A 31 ARG 1HH1 : -0.414: 0
: 2868:A 31 ARG HE :A 90 TYR HE2 : -0.410: 0
: 2868:A 91 PRO HA :A 90 TYR CG : -0.400: 0
: 2868:A 166 ASN 1HB :A 75 LEU 1HB : -0.621: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.605: 0
: 2868:A 151 PRO 2HD :A 150 ILE HB : -0.595: 0
: 2868:A 159 ILE 1HD1 :A 153 LEU 3HD2 : -0.554: 0
: 2868:A 154 ILE 2HG1 :A 150 ILE O : -0.541: 0
: 2868:A 159 ILE HB :A 154 ILE HA : -0.540: 0
: 2868:A 151 PRO HA :A 154 ILE 2HD1 : -0.517: 0
: 2868:A 146 LEU O :A 150 ILE HB : -0.501: 0
: 2868:A 146 LEU HG :A 142 LEU O : -0.482: 0
: 2868:A 106 THR 3HG2 :A 109 MET 1HB : -0.590: 0
: 2868:A 148 VAL 3HG2 :A 144 PRO O : -0.578: 0
: 2868:A 156 LYS 1HE :A 156 LYS HA : -0.573: 0
: 2868:A 86 ILE 1HG2 :A 28 TRP CH2 : -0.554: 0
: 2868:A 87 PRO 1HD :A 86 ILE HA : -0.406: 0
: 2868:A 24 ASP 2HB :A 27 LEU 1HB : -0.552: 0
: 2868:A 20 ALA 3HB :A 27 LEU 2HB : -0.469: 0
: 2868:A 162 LYS 2HG :A 163 GLU OE1 : -0.550: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.541: 0
: 2868:A 32 LEU HG :A 36 TYR CE2 : -0.533: 0
: 2868:A 40 ILE 2HG1 :A 36 TYR O : -0.457: 0
: 2868:A 96 GLU 2HB :A 114 LYS 2HD : -0.514: 0
: 2868:A 23 ARG NE :A 23 ARG HA : -0.513: 0
: 2868:A 4 GLU O :A 7 ARG 1HG : -0.498: 0
: 2868:A 17 LYS 1HD :A 17 LYS N : -0.476: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.473: 0
: 2868:A 25 ARG O :A 29 VAL 3HG2 : -0.467: 0
: 2868:A 34 GLU 1HG :A 30 GLN O : -0.461: 0
: 2868:A 30 GLN 2HB :A 18 THR 1HG2 : -0.452: 0
: 2868:A 122 LYS N :A 123 PRO 1HD : -0.459: 0
: 2868:A 72 ILE N :A 72 ILE 2HD1 : -0.454: 0
: 2868:A 52 ASP HA :A 46 ASN 2HB : -0.450: 0
: 2868:A 53 TRP 1HB :A 70 TRP O : -0.448: 0
: 2868:A 71 TYR 2HB :A 78 TYR CE1 : -0.444: 0
: 2868:A 70 TRP HA :A 78 TYR O : -0.413: 0
: 2868:A 80 PHE HD1 :A 101 GLU 1HG : -0.430: 0
: 2868:A 80 PHE CD1 :A 101 GLU 1HG : -0.417: 0
#sum2 ::19.18 clashscore : 19.18 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320726 potential dots:20050.0 A^2:55 bumps:55 bumps B<40:642.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 65 TRP 1HB :A 84 PHE 1HB : -0.982: 0
: 2868:A 97 ILE 1HG1 :A 84 PHE CZ : -0.608: 0
: 2868:A 65 TRP 1HB :A 84 PHE CB : -0.458: 0
: 2868:A 97 ILE 1HG1 :A 84 PHE CE1 : -0.429: 0
: 2868:A 16 LEU 1HD2 :A 35 GLU 2HB : -0.832: 0
: 2868:A 38 SER 2HB :A 13 ILE 3HG2 : -0.621: 0
: 2868:A 35 GLU HA :A 38 SER OG : -0.564: 0
: 2868:A 158 VAL 1HG1 :A 105 LYS 1HG : -0.815: 0
: 2868:A 70 TRP CD1 :A 79 GLU 2HB : -0.650: 0
: 2868:A 152 ASP HA :A 155 GLN 1HG : -0.613: 0
: 2868:A 152 ASP HA :A 155 GLN CG : -0.529: 0
: 2868:A 155 GLN 1HG :A 152 ASP CA : -0.422: 0
: 2868:A 15 VAL HB :A 131 LYS 2HB : -0.610: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.586: 0
: 2868:A 129 VAL CG1 :A 130 PRO HA : -0.515: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.400: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.608: 0
: 2868:A 90 TYR CG :A 91 PRO HA : -0.516: 0
: 2868:A 151 PRO 1HD :A 150 ILE N : -0.592: 0
: 2868:A 146 LEU HG :A 142 LEU O : -0.478: 0
: 2868:A 146 LEU O :A 150 ILE HB : -0.475: 0
: 2868:A 146 LEU HA :A 150 ILE 3HD1 : -0.427: 0
: 2868:A 150 ILE N :A 151 PRO CD : -0.403: 0
: 2868:A 153 LEU 1HD2 :A 106 THR HB : -0.588: 0
: 2868:A 106 THR 2HG2 :A 102 LEU O : -0.419: 0
: 2868:A 159 ILE 1HG1 :A 153 LEU 2HB : -0.412: 0
: 2868:A 31 ARG 2HB :A 18 THR 3HG2 : -0.586: 0
: 2868:A 27 LEU 2HD1 :A 18 THR 1HG2 : -0.514: 0
: 2868:A 27 LEU 3HD1 :A 27 LEU HA : -0.409: 0
: 2868:A 6 THR HB :A 3 ASP 2HB : -0.577: 0
: 2868:A 6 THR O :A 10 VAL 3HG2 : -0.522: 0
: 2868:A 3 ASP O :A 7 ARG 1HG : -0.437: 0
: 2868:A 161 HIS HE1 :A 76 LEU 2HD2 : -0.576: 0
: 2868:A 23 ARG 1HD :A 88 ILE 2HG2 : -0.561: 0
: 2868:A 23 ARG 2HD :A 23 ARG H : -0.455: 0
: 2868:A 47 LYS 2HD :A 44 GLU OE2 : -0.554: 0
: 2868:A 40 ILE 2HG1 :A 36 TYR O : -0.499: 0
: 2868:A 47 LYS 2HG :A 48 ASN 2HD2 : -0.456: 0
: 2868:A 47 LYS 1HG :A 44 GLU O : -0.428: 0
: 2868:A 44 GLU 1HB :A 40 ILE O : -0.411: 0
: 2868:A 51 ASN 2HD2 :A 51 ASN C : -0.550: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.542: 0
: 2868:A 69 CYS SG :A 82 ILE 3HD1 : -0.468: 0
: 2868:A 113 GLY 1HA :A 103 ASP 1HB : -0.515: 0
: 2868:A 109 MET HA :A 116 CYS 1HB : -0.510: 0
: 2868:A 116 CYS CB :A 109 MET HA : -0.468: 0
: 2868:A 59 ASN 2HB :A 61 GLU OE1 : -0.504: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.493: 0
: 2868:A 28 TRP CZ2 :A 86 ILE 1HG2 : -0.476: 0
: 2868:A 86 ILE 1HG2 :A 28 TRP CH2 : -0.474: 0
: 2868:A 87 PRO 1HD :A 86 ILE HA : -0.440: 0
: 2868:A 168 LEU H :A 168 LEU 2HD1 : -0.469: 0
: 2868:A 168 LEU 2HD1 :A 168 LEU N : -0.400: 0
: 2868:A 169 GLU CD :A 169 GLU H : -0.468: 0
: 2868:A 122 LYS N :A 123 PRO 1HD : -0.454: 0
: 2868:A 41 ARG NE :A 41 ARG HA : -0.438: 0
: 2868:A 71 TYR CE2 :A 73 HIS 1HB : -0.435: 0
: 2868:A 53 TRP HD1 :A 46 ASN ND2 : -0.411: 0
: 2868:A 54 PHE HD1 :A 53 TRP 2HB : -0.402: 0
#sum2 ::20.57 clashscore : 20.57 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320513 potential dots:20030.0 A^2:59 bumps:59 bumps B<40:668.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 70 TRP 2HB :A 79 GLU 2HB : -0.743: 0
: 2868:A 70 TRP HA :A 79 GLU HA : -0.497: 0
: 2868:A 70 TRP 2HB :A 79 GLU CB : -0.490: 0
: 2868:A 78 TYR O :A 70 TRP HA : -0.426: 0
: 2868:A 123 PRO 2HD :A 122 LYS 1HB : -0.628: 0
: 2868:A 123 PRO 1HD :A 120 HIS C : -0.424: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.626: 0
: 2868:A 109 MET SD :A 115 ILE HA : -0.503: 0
: 2868:A 97 ILE HB :A 115 ILE 3HD1 : -0.485: 0
: 2868:A 145 TRP HZ2 :A 109 MET SD : -0.483: 0
: 2868:A 145 TRP 1HB :A 141 GLY O : -0.437: 0
: 2868:A 14 PRO 2HD :A 12 GLU O : -0.604: 0
: 2868:A 86 ILE 1HG2 :A 28 TRP CH2 : -0.596: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.506: 0
: 2868:A 90 TYR CG :A 91 PRO HA : -0.420: 0
: 2868:A 90 TYR CD2 :A 86 ILE 3HG2 : -0.411: 0
: 2868:A 35 GLU 1HB :A 16 LEU 1HD2 : -0.581: 0
: 2868:A 18 THR O :A 31 ARG 2HG : -0.470: 0
: 2868:A 16 LEU 3HD2 :A 31 ARG 1HG : -0.466: 0
: 2868:A 31 ARG 2HH1 :A 35 GLU CD : -0.436: 0
: 2868:A 16 LEU N :A 16 LEU 2HD1 : -0.405: 0
: 2868:A 25 ARG O :A 29 VAL 3HG2 : -0.575: 0
: 2868:A 27 LEU 3HD2 :A 24 ASP 2HB : -0.558: 0
: 2868:A 27 LEU 2HD2 :A 27 LEU N : -0.418: 0
: 2868:A 151 PRO 1HD :A 150 ILE N : -0.557: 0
: 2868:A 151 PRO O :A 155 GLN 2HG : -0.458: 0
: 2868:A 67 GLY 2HA :A 56 LEU 3HD1 : -0.548: 0
: 2868:A 67 GLY 2HA :A 56 LEU HA : -0.410: 0
: 2868:A 52 ASP HA :A 46 ASN 2HB : -0.543: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.518: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.425: 0
: 2868:A 30 GLN HA :A 33 LYS 1HG : -0.505: 0
: 2868:A 34 GLU 1HG :A 30 GLN O : -0.484: 0
: 2868:A 149 GLU O :A 153 LEU 3HD2 : -0.498: 0
: 2868:A 15 VAL HB :A 131 LYS 2HB : -0.492: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.485: 0
: 2868:A 106 THR 2HG2 :A 102 LEU O : -0.474: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.462: 0
: 2868:A 121 PHE CB :A 118 THR HB : -0.461: 0
: 2868:A 121 PHE 1HB :A 118 THR HB : -0.405: 0
: 2868:A 72 ILE N :A 72 ILE 2HD1 : -0.453: 0
: 2868:A 68 LYS HA :A 81 ASP HA : -0.437: 0
: 2868:A 6 THR O :A 10 VAL 3HG2 : -0.434: 0
: 2868:A 108 LYS 1HG :A 108 LYS O : -0.432: 0
: 2868:A 40 ILE 2HG1 :A 36 TYR O : -0.428: 0
: 2868:A 88 ILE 3HG2 :A 23 ARG 1HD : -0.412: 0
: 2868:A 76 LEU 1HD2 :A 164 LYS 1HG : -0.407: 0
#sum2 ::16.39 clashscore : 16.39 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320588 potential dots:20040.0 A^2:47 bumps:47 bumps B<40:690.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 35 GLU 1HB :A 16 LEU 1HD2 : -0.794: 0
: 2868:A 86 ILE 1HG2 :A 28 TRP CH2 : -0.584: 0
: 2868:A 31 ARG 2HG :A 28 TRP O : -0.469: 0
: 2868:A 16 LEU 3HD2 :A 31 ARG 1HB : -0.442: 0
: 2868:A 131 LYS O :A 15 VAL HB : -0.438: 0
: 2868:A 87 PRO 1HD :A 86 ILE HA : -0.425: 0
: 2868:A 16 LEU O :A 131 LYS HA : -0.410: 0
: 2868:A 70 TRP CZ3 :A 68 LYS 2HD : -0.699: 0
: 2868:A 70 TRP HZ3 :A 68 LYS 2HD : -0.646: 0
: 2868:A 68 LYS 2HE :A 79 GLU 1HB : -0.623: 0
: 2868:A 79 GLU 2HB :A 70 TRP HE3 : -0.606: 0
: 2868:A 70 TRP CD1 :A 53 TRP HA : -0.560: 0
: 2868:A 70 TRP 2HB :A 79 GLU 2HB : -0.535: 0
: 2868:A 53 TRP HA :A 70 TRP NE1 : -0.479: 0
: 2868:A 25 ARG 2HH2 :A 61 GLU 1HG : -0.657: 0
: 2868:A 168 LEU HA :A 75 LEU 3HD1 : -0.657: 0
: 2868:A 25 ARG O :A 29 VAL 3HG2 : -0.571: 0
: 2868:A 168 LEU HA :A 75 LEU CD1 : -0.565: 0
: 2868:A 168 LEU HG :A 75 LEU CD1 : -0.429: 0
: 2868:A 123 PRO 2HD :A 122 LYS 1HB : -0.654: 0
: 2868:A 123 PRO 1HD :A 120 HIS C : -0.498: 0
: 2868:A 151 PRO 2HD :A 150 ILE HB : -0.630: 0
: 2868:A 154 ILE 2HG1 :A 150 ILE O : -0.442: 0
: 2868:A 27 LEU 2HD1 :A 18 THR 1HG2 : -0.625: 0
: 2868:A 27 LEU 3HD1 :A 27 LEU HA : -0.428: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.620: 0
: 2868:A 134 LEU 1HD2 :A 84 PHE CE2 : -0.429: 0
: 2868:A 40 ILE 2HG1 :A 36 TYR O : -0.558: 0
: 2868:A 36 TYR HA :A 39 LEU 2HD1 : -0.530: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.418: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.542: 0
: 2868:A 50 ASP 2HB :A 172 HIS CD2 : -0.542: 0
: 2868:A 90 TYR CG :A 91 PRO HA : -0.480: 0
: 2868:A 153 LEU HG :A 149 GLU O : -0.537: 0
: 2868:A 153 LEU 1HD1 :A 106 THR OG1 : -0.437: 0
: 2868:A 41 ARG O :A 45 ASN 1HB : -0.525: 0
: 2868:A 45 ASN HA :A 48 ASN ND2 : -0.409: 0
: 2868:A 105 LYS 1HB :A 105 LYS NZ : -0.509: 0
: 2868:A 95 PRO 2HB :A 85 ASP O : -0.484: 0
: 2868:A 8 ARG 1HD :A 4 GLU OE2 : -0.464: 0
: 2868:A 3 ASP O :A 7 ARG 2HG : -0.461: 0
: 2868:A 138 MET 1HG :A 135 ALA O : -0.458: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.455: 0
: 2868:A 33 LYS O :A 37 GLN 1HG : -0.445: 0
: 2868:A 148 VAL 3HG2 :A 144 PRO O : -0.439: 0
: 2868:A 64 ARG 1HB :A 59 ASN 1HD2 : -0.434: 0
: 2868:A 59 ASN ND2 :A 64 ARG 1HB : -0.405: 0
: 2868:A 34 GLU 1HG :A 30 GLN O : -0.432: 0
: 2868:A 30 GLN 2HE2 :A 30 GLN 2HB : -0.419: 0
: 2868:A 125 TRP HZ3 :A 137 LEU 3HD1 : -0.419: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.416: 0
: 2868:A 76 LEU HG :A 74 ASP O : -0.406: 0
: 2868:A 67 GLY 2HA :A 56 LEU HA : -0.403: 0
#sum2 ::18.48 clashscore : 18.48 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320573 potential dots:20040.0 A^2:53 bumps:53 bumps B<40:684.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 16 LEU 1HD2 :A 35 GLU 2HB : -0.844: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.565: 0
: 2868:A 34 GLU 1HG :A 30 GLN O : -0.536: 0
: 2868:A 91 PRO 2HG :A 31 ARG 2HH1 : -0.508: 0
: 2868:A 34 GLU 1HB :A 31 ARG O : -0.442: 0
: 2868:A 30 GLN O :A 33 LYS 1HG : -0.441: 0
: 2868:A 31 ARG 2HG :A 16 LEU 3HD2 : -0.419: 0
: 2868:A 16 LEU 2HD1 :A 16 LEU N : -0.403: 0
: 2868:A 106 THR 3HG2 :A 153 LEU 1HD1 : -0.654: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.600: 0
: 2868:A 105 LYS 2HB :A 102 LEU HA : -0.490: 0
: 2868:A 99 VAL CG1 :A 102 LEU HG : -0.474: 0
: 2868:A 97 ILE N :A 97 ILE 2HD1 : -0.434: 0
: 2868:A 99 VAL 3HG2 :A 97 ILE 2HG2 : -0.425: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.402: 0
: 2868:A 36 TYR 1HB :A 32 LEU O : -0.591: 0
: 2868:A 25 ARG O :A 29 VAL 3HG2 : -0.492: 0
: 2868:A 32 LEU 3HD2 :A 28 TRP O : -0.423: 0
: 2868:A 32 LEU 1HB :A 29 VAL HA : -0.406: 0
: 2868:A 151 PRO 2HD :A 150 ILE HB : -0.586: 0
: 2868:A 154 ILE 2HG1 :A 150 ILE O : -0.415: 0
: 2868:A 108 LYS 1HG :A 109 MET H : -0.583: 0
: 2868:A 85 ASP O :A 87 PRO 2HD : -0.572: 0
: 2868:A 95 PRO 2HB :A 85 ASP O : -0.485: 0
: 2868:A 137 LEU CD2 :A 95 PRO 1HD : -0.431: 0
: 2868:A 67 GLY 2HA :A 56 LEU 3HD1 : -0.556: 0
: 2868:A 51 ASN OD1 :A 53 TRP HD1 : -0.524: 0
: 2868:A 72 ILE 3HD1 :A 77 LYS HA : -0.513: 0
: 2868:A 114 LYS HA :A 98 ALA HA : -0.482: 0
: 2868:A 138 MET CE :A 138 MET HA : -0.478: 0
: 2868:A 13 ILE 1HG1 :A 42 TYR 1HB : -0.473: 0
: 2868:A 42 TYR HD2 :A 54 PHE HZ : -0.435: 0
: 2868:A 13 ILE 2HG1 :A 9 VAL O : -0.427: 0
: 2868:A 38 SER 1HB :A 13 ILE CG2 : -0.410: 0
: 2868:A 123 PRO CD :A 122 LYS 1HB : -0.466: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.458: 0
: 2868:A 131 LYS H :A 130 PRO 1HB : -0.457: 0
: 2868:A 78 TYR HH :A 71 TYR HD2 : -0.455: 0
: 2868:A 78 TYR CE2 :A 71 TYR 2HB : -0.411: 0
: 2868:A 4 GLU O :A 7 ARG 1HG : -0.450: 0
: 2868:A 6 THR O :A 10 VAL 3HG2 : -0.448: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.437: 0
#sum2 ::14.64 clashscore : 14.64 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320893 potential dots:20060.0 A^2:42 bumps:42 bumps B<40:709.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 164 LYS 1HE :A 164 LYS HA : -0.889: 0
: 2868:A 164 LYS 1HE :A 164 LYS CA : -0.466: 0
: 2868:A 164 LYS HA :A 164 LYS CE : -0.432: 0
: 2868:A 106 THR HB :A 109 MET 1HB : -0.757: 0
: 2868:A 113 GLY 2HA :A 98 ALA HA : -0.754: 0
: 2868:A 165 CYS 2HB :A 75 LEU 2HD1 : -0.697: 0
: 2868:A 70 TRP CD1 :A 79 GLU 2HB : -0.691: 0
: 2868:A 68 LYS 1HD :A 70 TRP CZ2 : -0.518: 0
: 2868:A 79 GLU HA :A 69 CYS O : -0.434: 0
: 2868:A 114 LYS HA :A 96 GLU 2HB : -0.664: 0
: 2868:A 20 ALA H :A 31 ARG 1HD : -0.659: 0
: 2868:A 18 THR HB :A 34 GLU 2HG : -0.643: 0
: 2868:A 30 GLN 2HB :A 18 THR 1HG2 : -0.535: 0
: 2868:A 26 GLU 2HG :A 27 LEU 2HD2 : -0.569: 0
: 2868:A 35 GLU OE1 :A 133 GLY 2HA : -0.560: 0
: 2868:A 4 GLU CD :A 4 GLU H : -0.539: 0
: 2868:A 4 GLU HA :A 7 ARG CG : -0.487: 0
: 2868:A 7 ARG 2HG :A 4 GLU O : -0.475: 0
: 2868:A 140 LEU 2HD1 :A 132 PHE HZ : -0.534: 0
: 2868:A 86 ILE 1HG2 :A 28 TRP CH2 : -0.519: 0
: 2868:A 32 LEU 1HB :A 28 TRP O : -0.428: 0
: 2868:A 28 TRP CZ2 :A 86 ILE 1HG2 : -0.425: 0
: 2868:A 86 ILE HA :A 87 PRO 1HD : -0.410: 0
: 2868:A 151 PRO 2HD :A 150 ILE HB : -0.507: 0
: 2868:A 43 VAL O :A 47 LYS 1HG : -0.507: 0
: 2868:A 154 ILE 2HG1 :A 150 ILE O : -0.435: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.426: 0
: 2868:A 146 LEU HA :A 150 ILE 1HG1 : -0.418: 0
: 2868:A 33 LYS O :A 37 GLN 1HG : -0.506: 0
: 2868:A 137 LEU 3HD1 :A 125 TRP CZ3 : -0.491: 0
: 2868:A 52 ASP HA :A 46 ASN 2HB : -0.491: 0
: 2868:A 46 ASN 2HB :A 52 ASP CA : -0.435: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.488: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.488: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.483: 0
: 2868:A 16 LEU O :A 131 LYS 1HG : -0.433: 0
: 2868:A 16 LEU 2HD1 :A 16 LEU N : -0.404: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.482: 0
: 2868:A 90 TYR CG :A 91 PRO HA : -0.456: 0
: 2868:A 122 LYS 2HB :A 123 PRO 2HD : -0.475: 0
: 2868:A 123 PRO CD :A 122 LYS 2HB : -0.471: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.452: 0
: 2868:A 121 PHE CD1 :A 117 LEU 1HB : -0.437: 0
: 2868:A 40 ILE 2HG1 :A 36 TYR O : -0.433: 0
: 2868:A 1 MET O :A 2 ALA 2HB : -0.433: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.426: 0
: 2868:A 25 ARG O :A 29 VAL 3HG2 : -0.424: 0
: 2868:A 105 LYS 1HB :A 105 LYS NZ : -0.423: 0
: 2868:A 65 TRP HE3 :A 56 LEU 2HD2 : -0.419: 0
: 2868:A 23 ARG HE :A 23 ARG 1HB : -0.417: 0
: 2868:A 77 LYS 2HG :A 72 ILE 1HD1 : -0.407: 0
: 2868:A 152 ASP O :A 155 GLN 1HG : -0.405: 0
#sum2 ::18.13 clashscore : 18.13 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320796 potential dots:20050.0 A^2:52 bumps:52 bumps B<40:675 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.707: 0
: 2868:A 19 ASN OD1 :A 91 PRO 2HG : -0.488: 0
: 2868:A 90 TYR CG :A 91 PRO HA : -0.448: 0
: 2868:A 13 ILE 1HG1 :A 42 TYR 1HB : -0.659: 0
: 2868:A 54 PHE H :A 54 PHE HD1 : -0.586: 0
: 2868:A 42 TYR HE2 :A 54 PHE HE1 : -0.512: 0
: 2868:A 42 TYR HE2 :A 54 PHE CE1 : -0.437: 0
: 2868:A 164 LYS 1HB :A 76 LEU 1HD2 : -0.651: 0
: 2868:A 162 LYS 1HB :A 76 LEU 2HD2 : -0.524: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.646: 0
: 2868:A 97 ILE HA :A 84 PHE CB : -0.467: 0
: 2868:A 115 ILE CD1 :A 97 ILE HB : -0.465: 0
: 2868:A 137 LEU 2HD2 :A 95 PRO 1HD : -0.457: 0
: 2868:A 84 PHE CE2 :A 134 LEU 1HD1 : -0.454: 0
: 2868:A 134 LEU 3HD1 :A 95 PRO 1HG : -0.418: 0
: 2868:A 97 ILE HB :A 115 ILE 1HG1 : -0.402: 0
: 2868:A 114 LYS 1HD :A 96 GLU CB : -0.635: 0
: 2868:A 110 TYR 1HB :A 114 LYS 1HB : -0.561: 0
: 2868:A 114 LYS 1HB :A 110 TYR CB : -0.514: 0
: 2868:A 110 TYR 1HB :A 114 LYS O : -0.511: 0
: 2868:A 114 LYS 1HD :A 96 GLU 2HB : -0.457: 0
: 2868:A 114 LYS 1HD :A 96 GLU 1HB : -0.447: 0
: 2868:A 116 CYS HA :A 110 TYR HE2 : -0.421: 0
: 2868:A 70 TRP CD1 :A 79 GLU 2HB : -0.609: 0
: 2868:A 53 TRP 1HB :A 70 TRP O : -0.450: 0
: 2868:A 69 CYS O :A 79 GLU HA : -0.400: 0
: 2868:A 34 GLU 1HG :A 30 GLN O : -0.593: 0
: 2868:A 27 LEU 2HD1 :A 18 THR 3HG2 : -0.577: 0
: 2868:A 18 THR HB :A 34 GLU 2HG : -0.489: 0
: 2868:A 30 GLN 2HB :A 18 THR 1HG2 : -0.474: 0
: 2868:A 31 ARG 2HH2 :A 133 GLY 1HA : -0.568: 0
: 2868:A 133 GLY 1HA :A 31 ARG NH2 : -0.431: 0
: 2868:A 41 ARG 2HG :A 14 PRO 1HG : -0.548: 0
: 2868:A 12 GLU O :A 14 PRO 2HD : -0.406: 0
: 2868:A 15 VAL HB :A 131 LYS 1HG : -0.530: 0
: 2868:A 131 LYS H :A 130 PRO 1HB : -0.461: 0
: 2868:A 47 LYS 1HE :A 43 VAL 2HG1 : -0.524: 0
: 2868:A 47 LYS 1HE :A 43 VAL CG1 : -0.511: 0
: 2868:A 47 LYS 2HG :A 43 VAL O : -0.473: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.435: 0
: 2868:A 3 ASP O :A 7 ARG 1HG : -0.508: 0
: 2868:A 152 ASP O :A 156 LYS 2HG : -0.508: 0
: 2868:A 146 LEU HG :A 142 LEU O : -0.498: 0
: 2868:A 25 ARG O :A 29 VAL 3HG2 : -0.493: 0
: 2868:A 151 PRO 1HD :A 150 ILE N : -0.483: 0
: 2868:A 154 ILE 2HG1 :A 150 ILE O : -0.458: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.461: 0
: 2868:A 52 ASP HA :A 46 ASN ND2 : -0.457: 0
: 2868:A 23 ARG NE :A 23 ARG HA : -0.445: 0
: 2868:A 153 LEU HG :A 158 VAL HB : -0.445: 0
: 2868:A 159 ILE 1HD1 :A 153 LEU 3HD2 : -0.437: 0
: 2868:A 122 LYS N :A 123 PRO 1HD : -0.437: 0
: 2868:A 169 GLU CD :A 169 GLU H : -0.436: 0
: 2868:A 71 TYR 2HB :A 78 TYR CE1 : -0.436: 0
: 2868:A 40 ILE 2HG1 :A 36 TYR O : -0.428: 0
: 2868:A 44 GLU 1HB :A 40 ILE O : -0.423: 0
: 2868:A 108 LYS H :A 106 THR C : -0.427: 0
: 2868:A 17 LYS 1HB :A 17 LYS NZ : -0.418: 0
: 2868:A 99 VAL 2HG2 :A 82 ILE HA : -0.417: 0
: 2868:A 105 LYS 1HG :A 101 GLU O : -0.417: 0
: 2868:A 48 ASN 1HD2 :A 45 ASN HA : -0.415: 0
#sum2 ::21.27 clashscore : 21.27 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320694 potential dots:20040.0 A^2:61 bumps:61 bumps B<40:656.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 153 LEU HG :A 158 VAL HB : -0.669: 0
: 2868:A 159 ILE 1HD1 :A 153 LEU 3HD2 : -0.564: 0
: 2868:A 153 LEU CD1 :A 106 THR 3HG2 : -0.485: 0
: 2868:A 106 THR 3HG2 :A 153 LEU 1HD1 : -0.450: 0
: 2868:A 155 GLN 2HG :A 152 ASP O : -0.610: 0
: 2868:A 152 ASP O :A 156 LYS 2HG : -0.516: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.589: 0
: 2868:A 27 LEU 2HD1 :A 18 THR 1HG2 : -0.584: 0
: 2868:A 26 GLU 2HG :A 27 LEU CD2 : -0.465: 0
: 2868:A 31 ARG 2HD :A 18 THR O : -0.465: 0
: 2868:A 28 TRP HE3 :A 31 ARG 1HH2 : -0.455: 0
: 2868:A 26 GLU 2HG :A 27 LEU 2HD2 : -0.426: 0
: 2868:A 16 LEU HG :A 34 GLU 2HB : -0.577: 0
: 2868:A 34 GLU 1HG :A 30 GLN O : -0.525: 0
: 2868:A 30 GLN O :A 33 LYS 1HG : -0.520: 0
: 2868:A 154 ILE 2HG1 :A 150 ILE O : -0.574: 0
: 2868:A 151 PRO 2HD :A 150 ILE HB : -0.547: 0
: 2868:A 14 PRO 2HD :A 12 GLU O : -0.573: 0
: 2868:A 52 ASP HA :A 46 ASN ND2 : -0.568: 0
: 2868:A 131 LYS O :A 15 VAL HB : -0.563: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.558: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.438: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.407: 0
: 2868:A 65 TRP CE2 :A 58 SER 1HB : -0.545: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.542: 0
: 2868:A 91 PRO 2HD :A 20 ALA O : -0.476: 0
: 2868:A 90 TYR CG :A 91 PRO HA : -0.435: 0
: 2868:A 127 ARG 2HG :A 123 PRO O : -0.538: 0
: 2868:A 122 LYS N :A 123 PRO 1HD : -0.415: 0
: 2868:A 122 LYS 1HB :A 123 PRO CD : -0.403: 0
: 2868:A 163 GLU OE2 :A 162 LYS 2HB : -0.513: 0
: 2868:A 148 VAL 3HG2 :A 144 PRO O : -0.511: 0
: 2868:A 56 LEU 3HD2 :A 67 GLY 2HA : -0.509: 0
: 2868:A 55 ARG O :A 67 GLY 2HA : -0.438: 0
: 2868:A 86 ILE HB :A 63 THR HA : -0.505: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.503: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.497: 0
: 2868:A 39 LEU 1HD1 :A 134 LEU 3HD2 : -0.460: 0
: 2868:A 43 VAL 2HG1 :A 47 LYS 1HD : -0.414: 0
: 2868:A 138 MET HA :A 142 LEU 2HB : -0.484: 0
: 2868:A 142 LEU CB :A 138 MET HA : -0.461: 0
: 2868:A 75 LEU 1HB :A 74 ASP O : -0.481: 0
: 2868:A 121 PHE 1HB :A 118 THR CG2 : -0.479: 0
: 2868:A 121 PHE 1HB :A 118 THR 3HG2 : -0.460: 0
: 2868:A 140 LEU 2HD1 :A 132 PHE HZ : -0.468: 0
: 2868:A 40 ILE 2HG1 :A 36 TYR O : -0.465: 0
: 2868:A 167 GLN HA :A 167 GLN OE1 : -0.460: 0
: 2868:A 6 THR O :A 10 VAL 3HG2 : -0.460: 0
: 2868:A 109 MET CG :A 113 GLY 1HA : -0.450: 0
: 2868:A 22 PRO 1HD :A 88 ILE HA : -0.428: 0
: 2868:A 25 ARG O :A 29 VAL 3HG2 : -0.411: 0
: 2868:A 23 ARG 1HH1 :A 23 ARG 2HD : -0.405: 0
: 2868:A 114 LYS HA :A 98 ALA HA : -0.403: 0
: 2868:A 81 ASP O :A 100 PRO 1HD : -0.402: 0
#sum2 ::18.83 clashscore : 18.83 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320717 potential dots:20040.0 A^2:54 bumps:54 bumps B<40:724.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 70 TRP 2HB :A 79 GLU HA : -0.798: 0
: 2868:A 79 GLU 1HB :A 68 LYS 2HD : -0.597: 0
: 2868:A 55 ARG NH2 :A 70 TRP HH2 : -0.524: 0
: 2868:A 79 GLU HA :A 70 TRP CB : -0.402: 0
: 2868:A 33 LYS 2HE :A 30 GLN 2HG : -0.718: 0
: 2868:A 33 LYS O :A 37 GLN 1HG : -0.694: 0
: 2868:A 34 GLU 1HG :A 30 GLN O : -0.547: 0
: 2868:A 30 GLN O :A 33 LYS 1HG : -0.472: 0
: 2868:A 164 LYS 1HE :A 76 LEU 1HD2 : -0.636: 0
: 2868:A 151 PRO 2HD :A 150 ILE HB : -0.577: 0
: 2868:A 153 LEU 2HD1 :A 156 LYS 1HD : -0.576: 0
: 2868:A 159 ILE 1HD1 :A 153 LEU 3HD2 : -0.572: 0
: 2868:A 154 ILE 2HG1 :A 150 ILE O : -0.563: 0
: 2868:A 150 ILE 1HG2 :A 78 TYR CE1 : -0.503: 0
: 2868:A 71 TYR CE2 :A 73 HIS 1HB : -0.434: 0
: 2868:A 159 ILE HB :A 154 ILE HA : -0.432: 0
: 2868:A 73 HIS O :A 76 LEU 1HB : -0.431: 0
: 2868:A 78 TYR HE1 :A 71 TYR 2HB : -0.418: 0
: 2868:A 156 LYS 2HE :A 156 LYS 1HB : -0.405: 0
: 2868:A 122 LYS 2HB :A 123 PRO 2HD : -0.593: 0
: 2868:A 120 HIS O :A 123 PRO 1HD : -0.437: 0
: 2868:A 35 GLU HA :A 16 LEU 1HD2 : -0.572: 0
: 2868:A 31 ARG 2HH2 :A 16 LEU 2HD2 : -0.528: 0
: 2868:A 16 LEU 3HD1 :A 133 GLY 2HA : -0.412: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.571: 0
: 2868:A 134 LEU 1HD2 :A 84 PHE HZ : -0.483: 0
: 2868:A 115 ILE 1HD1 :A 97 ILE HB : -0.432: 0
: 2868:A 97 ILE H :A 97 ILE 2HD1 : -0.408: 0
: 2868:A 134 LEU 2HD1 :A 137 LEU 3HD2 : -0.402: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.564: 0
: 2868:A 130 PRO HA :A 129 VAL CG1 : -0.446: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.429: 0
: 2868:A 130 PRO C :A 132 PHE H : -0.422: 0
: 2868:A 93 THR HB :A 89 THR HB : -0.549: 0
: 2868:A 86 ILE 1HG2 :A 28 TRP CH2 : -0.541: 0
: 2868:A 87 PRO 1HD :A 86 ILE HA : -0.407: 0
: 2868:A 53 TRP 2HB :A 54 PHE HD1 : -0.523: 0
: 2868:A 146 LEU HG :A 142 LEU O : -0.514: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.470: 0
: 2868:A 39 LEU 2HD1 :A 36 TYR HA : -0.406: 0
: 2868:A 75 LEU 1HB :A 74 ASP O : -0.467: 0
: 2868:A 101 GLU O :A 105 LYS 2HD : -0.466: 0
: 2868:A 116 CYS SG :A 111 ARG 2HG : -0.466: 0
: 2868:A 114 LYS HA :A 98 ALA HA : -0.464: 0
: 2868:A 114 LYS 2HG :A 111 ARG 2HB : -0.438: 0
: 2868:A 111 ARG 1HH1 :A 111 ARG 2HD : -0.429: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.463: 0
: 2868:A 148 VAL 3HG2 :A 144 PRO O : -0.448: 0
: 2868:A 6 THR O :A 10 VAL 3HG2 : -0.447: 0
: 2868:A 8 ARG O :A 12 GLU 2HG : -0.436: 0
: 2868:A 83 GLU HA :A 66 PHE HA : -0.434: 0
: 2868:A 64 ARG 1HH2 :A 83 GLU CD : -0.406: 0
: 2868:A 91 PRO 2HD :A 20 ALA O : -0.413: 0
: 2868:A 32 LEU 1HD2 :A 62 GLY 2HA : -0.409: 0
: 2868:A 14 PRO 1HD :A 13 ILE HA : -0.409: 0
: 2868:A 88 ILE N :A 88 ILE 2HD1 : -0.407: 0
#sum2 ::19.53 clashscore : 19.53 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320892 potential dots:20060.0 A^2:56 bumps:56 bumps B<40:709.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 16 LEU 1HD2 :A 35 GLU 2HB : -1.017: 0
: 2868:A 89 THR 2HG2 :A 92 THR HB : -0.776: 0
: 2868:A 114 LYS 1HD :A 96 GLU 2HB : -0.723: 0
: 2868:A 114 LYS 1HD :A 96 GLU CB : -0.719: 0
: 2868:A 91 PRO 2HG :A 31 ARG NH2 : -0.701: 0
: 2868:A 91 PRO 2HG :A 31 ARG 1HH2 : -0.589: 0
: 2868:A 90 TYR HA :A 91 PRO HA : -0.411: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.410: 0
: 2868:A 110 TYR O :A 111 ARG 2HG : -0.695: 0
: 2868:A 52 ASP HA :A 46 ASN ND2 : -0.659: 0
: 2868:A 46 ASN 1HD2 :A 52 ASP HA : -0.542: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.622: 0
: 2868:A 115 ILE CD1 :A 97 ILE HB : -0.526: 0
: 2868:A 65 TRP 1HB :A 84 PHE CZ : -0.402: 0
: 2868:A 164 LYS HA :A 76 LEU CD2 : -0.609: 0
: 2868:A 151 PRO 2HD :A 150 ILE HB : -0.565: 0
: 2868:A 17 LYS 1HG :A 34 GLU OE1 : -0.564: 0
: 2868:A 27 LEU 3HD2 :A 24 ASP 2HB : -0.563: 0
: 2868:A 27 LEU 1HB :A 24 ASP CB : -0.493: 0
: 2868:A 40 ILE 2HG1 :A 36 TYR O : -0.559: 0
: 2868:A 47 LYS 1HE :A 43 VAL 2HG1 : -0.525: 0
: 2868:A 44 GLU 2HG :A 40 ILE O : -0.501: 0
: 2868:A 32 LEU 3HD2 :A 28 TRP O : -0.497: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.489: 0
: 2868:A 36 TYR HA :A 39 LEU 2HD1 : -0.439: 0
: 2868:A 32 LEU 2HD1 :A 36 TYR CE2 : -0.424: 0
: 2868:A 85 ASP O :A 87 PRO 2HD : -0.552: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.544: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.466: 0
: 2868:A 15 VAL HB :A 131 LYS 2HB : -0.445: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.431: 0
: 2868:A 137 LEU 3HD1 :A 125 TRP CZ3 : -0.414: 0
: 2868:A 130 PRO 1HB :A 131 LYS H : -0.407: 0
: 2868:A 6 THR OG1 :A 3 ASP 1HB : -0.529: 0
: 2868:A 6 THR O :A 10 VAL 3HG2 : -0.491: 0
: 2868:A 3 ASP O :A 7 ARG 1HG : -0.404: 0
: 2868:A 75 LEU 2HD2 :A 74 ASP C : -0.526: 0
: 2868:A 159 ILE 1HD1 :A 153 LEU 3HD2 : -0.519: 0
: 2868:A 88 ILE O :A 22 PRO 1HD : -0.483: 0
: 2868:A 79 GLU 1HG :A 70 TRP HD1 : -0.481: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.478: 0
: 2868:A 13 ILE 2HG1 :A 9 VAL O : -0.473: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.443: 0
: 2868:A 155 GLN HA :A 155 GLN OE1 : -0.468: 0
: 2868:A 162 LYS 2HZ :A 163 GLU CD : -0.463: 0
: 2868:A 146 LEU HG :A 142 LEU O : -0.460: 0
: 2868:A 148 VAL 3HG2 :A 144 PRO O : -0.454: 0
: 2868:A 144 PRO 2HD :A 139 ALA O : -0.426: 0
: 2868:A 167 GLN HA :A 167 GLN OE1 : -0.447: 0
: 2868:A 55 ARG O :A 67 GLY 2HA : -0.435: 0
: 2868:A 132 PHE HE2 :A 128 ASN 1HB : -0.428: 0
: 2868:A 108 LYS 1HG :A 108 LYS O : -0.424: 0
: 2868:A 95 PRO 2HD :A 94 ALA HA : -0.411: 0
#sum2 ::18.48 clashscore : 18.48 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320867 potential dots:20050.0 A^2:53 bumps:53 bumps B<40:662.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 114 LYS 2HD :A 96 GLU 1HB : -1.031: 0
: 2868:A 114 LYS HA :A 98 ALA HA : -0.453: 0
: 2868:A 26 GLU 2HG :A 27 LEU 2HD2 : -0.623: 0
: 2868:A 25 ARG O :A 29 VAL 3HG2 : -0.616: 0
: 2868:A 151 PRO 2HD :A 150 ILE HB : -0.568: 0
: 2868:A 153 LEU 2HB :A 159 ILE 1HD1 : -0.553: 0
: 2868:A 154 ILE 2HG1 :A 150 ILE O : -0.539: 0
: 2868:A 156 LYS 1HE :A 153 LEU 2HD1 : -0.534: 0
: 2868:A 159 ILE 2HD1 :A 154 ILE CG1 : -0.413: 0
: 2868:A 31 ARG 2HH2 :A 133 GLY 1HA : -0.559: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.540: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.534: 0
: 2868:A 47 LYS 1HE :A 43 VAL 2HG1 : -0.464: 0
: 2868:A 47 LYS 1HE :A 43 VAL CG1 : -0.458: 0
: 2868:A 137 LEU 3HD1 :A 125 TRP CZ3 : -0.526: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.401: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.521: 0
: 2868:A 134 LEU 1HD2 :A 84 PHE HZ : -0.410: 0
: 2868:A 148 VAL 3HG2 :A 144 PRO O : -0.499: 0
: 2868:A 88 ILE 3HG2 :A 23 ARG CG : -0.489: 0
: 2868:A 61 GLU 1HB :A 59 ASN OD1 : -0.475: 0
: 2868:A 123 PRO 2HD :A 122 LYS 1HB : -0.475: 0
: 2868:A 123 PRO CD :A 122 LYS 1HB : -0.474: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.474: 0
: 2868:A 44 GLU 2HG :A 40 ILE O : -0.471: 0
: 2868:A 40 ILE 2HG1 :A 36 TYR O : -0.451: 0
: 2868:A 95 PRO 2HD :A 94 ALA HA : -0.470: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.466: 0
: 2868:A 9 VAL 3HG1 :A 13 ILE 2HD1 : -0.455: 0
: 2868:A 71 TYR CE2 :A 73 HIS 1HB : -0.458: 0
: 2868:A 78 TYR CE1 :A 71 TYR HD2 : -0.436: 0
: 2868:A 32 LEU 2HD2 :A 32 LEU HA : -0.429: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.426: 0
: 2868:A 76 LEU H :A 74 ASP C : -0.423: 0
: 2868:A 74 ASP O :A 75 LEU 1HB : -0.400: 0
: 2868:A 45 ASN 1HD2 :A 12 GLU 2HB : -0.422: 0
: 2868:A 14 PRO 2HD :A 12 GLU O : -0.403: 0
: 2868:A 65 TRP CD2 :A 58 SER 1HB : -0.414: 0
: 2868:A 60 LYS HA :A 60 LYS 2HD : -0.405: 0
: 2868:A 146 LEU HG :A 142 LEU O : -0.400: 0
#sum2 ::13.95 clashscore : 13.95 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320700 potential dots:20040.0 A^2:40 bumps:40 bumps B<40:726.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 14 PRO 1HD :A 38 SER HA : -0.674: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.658: 0
: 2868:A 129 VAL CG1 :A 130 PRO HA : -0.489: 0
: 2868:A 132 PHE H :A 130 PRO C : -0.456: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.408: 0
: 2868:A 43 VAL O :A 47 LYS 1HG : -0.633: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.455: 0
: 2868:A 47 LYS CG :A 44 GLU HA : -0.440: 0
: 2868:A 156 LYS 2HD :A 153 LEU 2HD2 : -0.629: 0
: 2868:A 153 LEU 1HD2 :A 106 THR HB : -0.536: 0
: 2868:A 109 MET 1HG :A 106 THR 3HG2 : -0.525: 0
: 2868:A 159 ILE 1HD1 :A 153 LEU 2HD1 : -0.481: 0
: 2868:A 15 VAL HB :A 131 LYS 2HB : -0.624: 0
: 2868:A 16 LEU O :A 131 LYS HA : -0.515: 0
: 2868:A 114 LYS 2HD :A 96 GLU 1HB : -0.621: 0
: 2868:A 96 GLU CB :A 114 LYS 2HD : -0.619: 0
: 2868:A 114 LYS 1HG :A 98 ALA 2HB : -0.596: 0
: 2868:A 114 LYS HA :A 98 ALA HA : -0.550: 0
: 2868:A 146 LEU HG :A 142 LEU O : -0.605: 0
: 2868:A 146 LEU O :A 151 PRO 2HD : -0.519: 0
: 2868:A 151 PRO 2HD :A 150 ILE HB : -0.493: 0
: 2868:A 146 LEU O :A 150 ILE HB : -0.424: 0
: 2868:A 26 GLU 1HG :A 27 LEU 2HD2 : -0.570: 0
: 2868:A 27 LEU 3HD2 :A 24 ASP 2HB : -0.513: 0
: 2868:A 27 LEU 1HB :A 24 ASP CB : -0.510: 0
: 2868:A 26 GLU CD :A 26 GLU H : -0.483: 0
: 2868:A 27 LEU 1HB :A 24 ASP 1HB : -0.473: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.552: 0
: 2868:A 90 TYR CG :A 91 PRO HA : -0.515: 0
: 2868:A 19 ASN OD1 :A 91 PRO 2HG : -0.468: 0
: 2868:A 123 PRO 2HD :A 122 LYS 1HB : -0.549: 0
: 2868:A 85 ASP O :A 87 PRO 2HD : -0.549: 0
: 2868:A 123 PRO O :A 127 ARG 1HB : -0.503: 0
: 2868:A 123 PRO 1HD :A 120 HIS C : -0.435: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.541: 0
: 2868:A 138 MET CE :A 138 MET HA : -0.524: 0
: 2868:A 6 THR O :A 10 VAL 3HG2 : -0.518: 0
: 2868:A 3 ASP HA :A 6 THR OG1 : -0.461: 0
: 2868:A 160 GLN HA :A 160 GLN OE1 : -0.496: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.482: 0
: 2868:A 13 ILE 1HG1 :A 42 TYR 1HB : -0.466: 0
: 2868:A 162 LYS 1HD :A 162 LYS N : -0.465: 0
: 2868:A 46 ASN 2HB :A 51 ASN O : -0.452: 0
: 2868:A 148 VAL 3HG2 :A 144 PRO O : -0.441: 0
: 2868:A 134 LEU 2HD1 :A 137 LEU 3HD2 : -0.440: 0
: 2868:A 32 LEU HG :A 28 TRP O : -0.439: 0
: 2868:A 115 ILE 1HG1 :A 97 ILE O : -0.428: 0
: 2868:A 69 CYS HA :A 54 PHE HA : -0.421: 0
: 2868:A 79 GLU HA :A 69 CYS O : -0.404: 0
: 2868:A 118 THR O :A 121 PHE 2HB : -0.412: 0
: 2868:A 121 PHE 1HB :A 118 THR 2HG2 : -0.411: 0
: 2868:A 60 LYS HA :A 60 LYS 2HD : -0.408: 0
: 2868:A 25 ARG O :A 29 VAL 3HG2 : -0.403: 0
#sum2 ::18.48 clashscore : 18.48 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320763 potential dots:20050.0 A^2:53 bumps:53 bumps B<40:712.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 158 VAL 3HG2 :A 159 ILE 2HG1 : -0.735: 0
: 2868:A 31 ARG 2HG :A 16 LEU 3HD2 : -0.734: 0
: 2868:A 19 ASN HA :A 31 ARG 2HD : -0.689: 0
: 2868:A 16 LEU 1HD2 :A 35 GLU 2HB : -0.576: 0
: 2868:A 16 LEU CD2 :A 35 GLU 2HB : -0.552: 0
: 2868:A 110 TYR 1HB :A 114 LYS 1HB : -0.709: 0
: 2868:A 110 TYR HE2 :A 116 CYS 1HB : -0.568: 0
: 2868:A 162 LYS 1HG :A 163 GLU OE1 : -0.668: 0
: 2868:A 164 LYS NZ :A 164 LYS 2HB : -0.474: 0
: 2868:A 164 LYS 2HG :A 76 LEU 3HD2 : -0.444: 0
: 2868:A 162 LYS O :A 76 LEU 1HD1 : -0.419: 0
: 2868:A 76 LEU 1HD2 :A 163 GLU HA : -0.417: 0
: 2868:A 123 PRO 2HD :A 122 LYS 1HB : -0.652: 0
: 2868:A 123 PRO 1HD :A 120 HIS C : -0.499: 0
: 2868:A 153 LEU 2HD1 :A 156 LYS 2HD : -0.616: 0
: 2868:A 106 THR HB :A 153 LEU 3HD1 : -0.550: 0
: 2868:A 102 LEU 3HD2 :A 105 LYS 2HG : -0.503: 0
: 2868:A 153 LEU O :A 156 LYS 1HB : -0.498: 0
: 2868:A 106 THR OG1 :A 108 LYS 2HD : -0.453: 0
: 2868:A 109 MET 1HG :A 106 THR 3HG2 : -0.441: 0
: 2868:A 105 LYS 2HB :A 153 LEU 1HD2 : -0.440: 0
: 2868:A 23 ARG HA :A 23 ARG HE : -0.609: 0
: 2868:A 23 ARG HE :A 23 ARG CA : -0.489: 0
: 2868:A 23 ARG NE :A 23 ARG HA : -0.481: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.606: 0
: 2868:A 90 TYR CD1 :A 95 PRO 2HD : -0.422: 0
: 2868:A 141 GLY 2HA :A 117 LEU 3HD1 : -0.577: 0
: 2868:A 141 GLY CA :A 117 LEU 3HD1 : -0.474: 0
: 2868:A 86 ILE 1HG2 :A 28 TRP CH2 : -0.568: 0
: 2868:A 25 ARG HA :A 28 TRP 2HB : -0.408: 0
: 2868:A 29 VAL 3HG2 :A 25 ARG O : -0.407: 0
: 2868:A 27 LEU 2HD1 :A 18 THR 1HG2 : -0.566: 0
: 2868:A 121 PHE 1HB :A 118 THR OG1 : -0.564: 0
: 2868:A 93 THR HB :A 89 THR HB : -0.562: 0
: 2868:A 115 ILE 1HD1 :A 97 ILE HB : -0.555: 0
: 2868:A 81 ASP HA :A 68 LYS 1HG : -0.551: 0
: 2868:A 81 ASP 2HB :A 68 LYS 1HE : -0.482: 0
: 2868:A 68 LYS 1HG :A 81 ASP CA : -0.442: 0
: 2868:A 128 ASN 1HB :A 132 PHE CE2 : -0.533: 0
: 2868:A 128 ASN 1HB :A 132 PHE HE2 : -0.424: 0
: 2868:A 36 TYR 1HB :A 32 LEU O : -0.532: 0
: 2868:A 40 ILE 2HG1 :A 36 TYR O : -0.492: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.434: 0
: 2868:A 36 TYR HA :A 39 LEU 2HD1 : -0.400: 0
: 2868:A 47 LYS HA :A 47 LYS 1HE : -0.525: 0
: 2868:A 79 GLU 1HG :A 70 TRP CD1 : -0.521: 0
: 2868:A 79 GLU 1HG :A 70 TRP HD1 : -0.403: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL HB : -0.512: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL CB : -0.452: 0
: 2868:A 34 GLU 2HG :A 17 LYS 2HB : -0.493: 0
: 2868:A 15 VAL HB :A 131 LYS 2HB : -0.492: 0
: 2868:A 131 LYS H :A 130 PRO 1HB : -0.457: 0
: 2868:A 56 LEU 2HD2 :A 54 PHE HZ : -0.491: 0
: 2868:A 54 PHE CZ :A 56 LEU 2HD2 : -0.430: 0
: 2868:A 154 ILE 2HG1 :A 150 ILE O : -0.489: 0
: 2868:A 151 PRO 1HD :A 150 ILE N : -0.452: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.479: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.471: 0
: 2868:A 78 TYR HE2 :A 73 HIS 2HB : -0.467: 0
: 2868:A 6 THR O :A 10 VAL 3HG2 : -0.462: 0
: 2868:A 44 GLU 2HB :A 41 ARG O : -0.455: 0
: 2868:A 72 ILE N :A 72 ILE 2HD1 : -0.450: 0
: 2868:A 88 ILE N :A 88 ILE 2HD1 : -0.445: 0
: 2868:A 88 ILE H :A 88 ILE 2HD1 : -0.411: 0
: 2868:A 14 PRO 2HD :A 12 GLU O : -0.438: 0
#sum2 ::22.66 clashscore : 22.66 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320763 potential dots:20050.0 A^2:65 bumps:65 bumps B<40:680.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 135 ALA 2HB :A 39 LEU 3HD2 : -0.662: 0
: 2868:A 39 LEU HG :A 35 GLU O : -0.588: 0
: 2868:A 133 GLY 1HA :A 31 ARG NH2 : -0.532: 0
: 2868:A 47 LYS 2HE :A 43 VAL 2HG1 : -0.522: 0
: 2868:A 134 LEU H :A 35 GLU CD : -0.451: 0
: 2868:A 40 ILE 2HG1 :A 36 TYR O : -0.436: 0
: 2868:A 36 TYR 1HB :A 32 LEU O : -0.435: 0
: 2868:A 16 LEU 2HD1 :A 16 LEU N : -0.434: 0
: 2868:A 38 SER 1HB :A 35 GLU O : -0.432: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.431: 0
: 2868:A 36 TYR HA :A 39 LEU 2HD1 : -0.422: 0
: 2868:A 16 LEU 2HD2 :A 31 ARG CZ : -0.411: 0
: 2868:A 16 LEU 1HD2 :A 35 GLU CA : -0.408: 0
: 2868:A 111 ARG HA :A 111 ARG HE : -0.615: 0
: 2868:A 153 LEU HA :A 156 LYS 2HD : -0.615: 0
: 2868:A 111 ARG NE :A 111 ARG HA : -0.491: 0
: 2868:A 152 ASP O :A 156 LYS 2HG : -0.459: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.613: 0
: 2868:A 80 PHE O :A 82 ILE 3HG2 : -0.495: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.469: 0
: 2868:A 99 VAL 3HG2 :A 97 ILE 2HG2 : -0.456: 0
: 2868:A 97 ILE HA :A 84 PHE CB : -0.441: 0
: 2868:A 146 LEU HG :A 142 LEU O : -0.429: 0
: 2868:A 68 LYS HA :A 82 ILE 1HG1 : -0.411: 0
: 2868:A 97 ILE 3HD1 :A 142 LEU 3HD1 : -0.405: 0
: 2868:A 24 ASP 2HB :A 27 LEU 1HB : -0.580: 0
: 2868:A 70 TRP CD1 :A 79 GLU 2HB : -0.574: 0
: 2868:A 78 TYR O :A 70 TRP HA : -0.534: 0
: 2868:A 79 GLU 2HB :A 70 TRP NE1 : -0.515: 0
: 2868:A 46 ASN 2HB :A 51 ASN O : -0.535: 0
: 2868:A 151 PRO 1HD :A 150 ILE N : -0.499: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.494: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.478: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.451: 0
: 2868:A 132 PHE H :A 130 PRO C : -0.433: 0
: 2868:A 137 LEU 1HB :A 125 TRP CZ3 : -0.431: 0
: 2868:A 65 TRP CD2 :A 58 SER 1HB : -0.467: 0
: 2868:A 113 GLY O :A 98 ALA HA : -0.467: 0
: 2868:A 4 GLU HA :A 7 ARG 2HG : -0.458: 0
: 2868:A 7 ARG 2HD :A 8 ARG N : -0.457: 0
: 2868:A 69 CYS HA :A 54 PHE HA : -0.457: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.454: 0
: 2868:A 127 ARG O :A 127 ARG 2HD : -0.445: 0
: 2868:A 122 LYS 2HB :A 123 PRO 2HD : -0.435: 0
: 2868:A 75 LEU 3HD1 :A 75 LEU HA : -0.434: 0
: 2868:A 75 LEU 2HD2 :A 74 ASP C : -0.421: 0
: 2868:A 29 VAL 2HG1 :A 33 LYS 2HE : -0.433: 0
: 2868:A 33 LYS 2HB :A 33 LYS 1HE : -0.429: 0
: 2868:A 148 VAL 3HG2 :A 144 PRO O : -0.430: 0
: 2868:A 102 LEU 1HB :A 109 MET CE : -0.424: 0
: 2868:A 166 ASN H :A 164 LYS C : -0.420: 0
: 2868:A 64 ARG 1HH1 :A 64 ARG 1HD : -0.416: 0
: 2868:A 66 PHE C :A 56 LEU 2HD1 : -0.403: 0
: 2868:A 23 ARG 1HH1 :A 23 ARG 2HD : -0.401: 0
#sum2 ::18.83 clashscore : 18.83 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:321045 potential dots:20070.0 A^2:54 bumps:54 bumps B<40:712.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 23 ARG HA :A 23 ARG HE : -0.845: 0
: 2868:A 23 ARG HA :A 23 ARG NE : -0.455: 0
: 2868:A 60 LYS 2HE :A 60 LYS HA : -0.695: 0
: 2868:A 60 LYS CE :A 60 LYS HA : -0.482: 0
: 2868:A 46 ASN 2HB :A 51 ASN O : -0.593: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.591: 0
: 2868:A 70 TRP 2HB :A 79 GLU 2HB : -0.583: 0
: 2868:A 78 TYR O :A 70 TRP HA : -0.426: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.550: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.478: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.473: 0
: 2868:A 16 LEU O :A 131 LYS 1HG : -0.458: 0
: 2868:A 131 LYS 2HB :A 15 VAL HB : -0.407: 0
: 2868:A 135 ALA 2HB :A 39 LEU 3HD2 : -0.549: 0
: 2868:A 134 LEU H :A 35 GLU CD : -0.458: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.417: 0
: 2868:A 43 VAL 2HG1 :A 47 LYS NZ : -0.408: 0
: 2868:A 39 LEU HG :A 35 GLU O : -0.402: 0
: 2868:A 56 LEU CD2 :A 65 TRP 2HB : -0.536: 0
: 2868:A 56 LEU 1HD2 :A 65 TRP 2HB : -0.506: 0
: 2868:A 67 GLY 2HA :A 56 LEU HA : -0.504: 0
: 2868:A 65 TRP CD2 :A 58 SER 1HB : -0.456: 0
: 2868:A 17 LYS 1HD :A 17 LYS N : -0.534: 0
: 2868:A 123 PRO 2HD :A 122 LYS 1HB : -0.533: 0
: 2868:A 85 ASP O :A 87 PRO 2HD : -0.533: 0
: 2868:A 61 GLU 1HB :A 59 ASN OD1 : -0.526: 0
: 2868:A 123 PRO CD :A 122 LYS 1HB : -0.525: 0
: 2868:A 64 ARG 2HB :A 59 ASN 1HD2 : -0.471: 0
: 2868:A 85 ASP HA :A 64 ARG HA : -0.430: 0
: 2868:A 119 ASP O :A 123 PRO 1HD : -0.404: 0
: 2868:A 90 TYR CG :A 91 PRO HA : -0.520: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.501: 0
: 2868:A 151 PRO 1HD :A 150 ILE N : -0.504: 0
: 2868:A 33 LYS 2HB :A 33 LYS NZ : -0.504: 0
: 2868:A 33 LYS O :A 37 GLN 1HG : -0.441: 0
: 2868:A 33 LYS HA :A 36 TYR HD2 : -0.434: 0
: 2868:A 154 ILE 2HG1 :A 150 ILE O : -0.425: 0
: 2868:A 36 TYR O :A 40 ILE 2HG1 : -0.406: 0
: 2868:A 6 THR O :A 10 VAL 3HG2 : -0.503: 0
: 2868:A 156 LYS 1HB :A 152 ASP O : -0.493: 0
: 2868:A 159 ILE 2HG1 :A 153 LEU HG : -0.492: 0
: 2868:A 156 LYS 1HE :A 153 LEU HA : -0.409: 0
: 2868:A 159 ILE 1HD1 :A 153 LEU 3HD2 : -0.409: 0
: 2868:A 25 ARG O :A 29 VAL 3HG2 : -0.491: 0
: 2868:A 25 ARG HA :A 28 TRP 2HB : -0.487: 0
: 2868:A 18 THR O :A 31 ARG 2HG : -0.462: 0
: 2868:A 31 ARG 2HH2 :A 133 GLY 1HA : -0.400: 0
: 2868:A 108 LYS 1HB :A 108 LYS 2HE : -0.432: 0
: 2868:A 165 CYS C :A 167 GLN H : -0.427: 0
: 2868:A 7 ARG 2HD :A 8 ARG N : -0.427: 0
: 2868:A 7 ARG 2HD :A 7 ARG C : -0.411: 0
: 2868:A 32 LEU 2HD2 :A 32 LEU HA : -0.422: 0
: 2868:A 76 LEU H :A 74 ASP C : -0.418: 0
: 2868:A 75 LEU 1HB :A 74 ASP O : -0.407: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.417: 0
: 2868:A 55 ARG 1HH1 :A 55 ARG 1HD : -0.416: 0
: 2868:A 148 VAL 3HG2 :A 144 PRO O : -0.414: 0
: 2868:A 158 VAL 1HG1 :A 105 LYS O : -0.401: 0
#sum2 ::20.22 clashscore : 20.22 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320846 potential dots:20050.0 A^2:58 bumps:58 bumps B<40:688.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 16 LEU 1HD2 :A 35 GLU 2HB : -0.863: 0
: 2868:A 96 GLU 2HB :A 114 LYS 2HD : -0.820: 0
: 2868:A 114 LYS 2HD :A 96 GLU CB : -0.507: 0
: 2868:A 69 CYS SG :A 80 PHE 1HB : -0.673: 0
: 2868:A 54 PHE 2HB :A 53 TRP HE3 : -0.547: 0
: 2868:A 39 LEU 2HD2 :A 54 PHE HZ : -0.502: 0
: 2868:A 69 CYS HA :A 54 PHE HA : -0.485: 0
: 2868:A 53 TRP 2HB :A 54 PHE HD1 : -0.469: 0
: 2868:A 36 TYR HA :A 39 LEU 2HD1 : -0.448: 0
: 2868:A 36 TYR 1HB :A 32 LEU O : -0.444: 0
: 2868:A 43 VAL 3HG2 :A 39 LEU O : -0.425: 0
: 2868:A 56 LEU 1HD2 :A 65 TRP 2HB : -0.634: 0
: 2868:A 67 GLY 2HA :A 56 LEU HA : -0.445: 0
: 2868:A 56 LEU 3HD2 :A 57 GLU N : -0.435: 0
: 2868:A 65 TRP 2HB :A 56 LEU CD2 : -0.420: 0
: 2868:A 65 TRP HE3 :A 56 LEU 2HD2 : -0.418: 0
: 2868:A 56 LEU HG :A 66 PHE C : -0.402: 0
: 2868:A 146 LEU O :A 150 ILE HB : -0.632: 0
: 2868:A 146 LEU HG :A 142 LEU O : -0.598: 0
: 2868:A 146 LEU HA :A 150 ILE 3HD1 : -0.591: 0
: 2868:A 154 ILE 2HG1 :A 150 ILE O : -0.440: 0
: 2868:A 133 GLY 1HA :A 31 ARG NH2 : -0.607: 0
: 2868:A 31 ARG CG :A 19 ASN HA : -0.497: 0
: 2868:A 121 PHE 1HB :A 118 THR 3HG2 : -0.577: 0
: 2868:A 121 PHE 1HB :A 118 THR CG2 : -0.430: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.576: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.509: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.478: 0
: 2868:A 129 VAL 1HG1 :A 92 THR HA : -0.429: 0
: 2868:A 30 GLN 2HB :A 18 THR 1HG2 : -0.562: 0
: 2868:A 34 GLU 1HG :A 30 GLN O : -0.434: 0
: 2868:A 30 GLN O :A 33 LYS 1HG : -0.429: 0
: 2868:A 123 PRO 2HD :A 122 LYS 1HB : -0.541: 0
: 2868:A 123 PRO CD :A 122 LYS 1HB : -0.539: 0
: 2868:A 122 LYS 2HE :A 119 ASP HA : -0.478: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.526: 0
: 2868:A 25 ARG O :A 29 VAL 3HG2 : -0.524: 0
: 2868:A 101 GLU CB :A 81 ASP H : -0.517: 0
: 2868:A 81 ASP H :A 101 GLU 1HB : -0.461: 0
: 2868:A 68 LYS NZ :A 81 ASP 1HB : -0.426: 0
: 2868:A 115 ILE 2HD1 :A 117 LEU 1HD2 : -0.499: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.496: 0
: 2868:A 90 TYR CG :A 91 PRO HA : -0.418: 0
: 2868:A 6 THR O :A 10 VAL 3HG2 : -0.481: 0
: 2868:A 9 VAL 3HG2 :A 5 ALA O : -0.476: 0
: 2868:A 13 ILE 2HG1 :A 9 VAL O : -0.472: 0
: 2868:A 93 THR HB :A 89 THR HB : -0.475: 0
: 2868:A 151 PRO O :A 155 GLN 2HG : -0.456: 0
: 2868:A 14 PRO 1HD :A 38 SER HA : -0.454: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.452: 0
: 2868:A 136 HIS HE1 :A 15 VAL HA : -0.425: 0
: 2868:A 77 LYS 2HE :A 77 LYS 2HB : -0.423: 0
: 2868:A 132 PHE HE1 :A 128 ASN 2HB : -0.421: 0
: 2868:A 72 ILE N :A 72 ILE 2HD1 : -0.421: 0
: 2868:A 144 PRO 2HD :A 139 ALA O : -0.402: 0
#sum2 ::19.18 clashscore : 19.18 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320887 potential dots:20060.0 A^2:55 bumps:55 bumps B<40:638.4 score
Output from PDB validation software
Summary from PDB validation
May. 10, 07:36:56 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
Chain Atom Res Seq Chain Atom Res Seq Mol_ID Distance
-------------------------------------------------------------------------
A 1HB GLU 96 - A 2HD LYS 114 15 Dist = 1.30
A 1HB TRP 65 - A 1HB PHE 84 3 Dist = 1.31
A 2HD2 LEU 16 - A 2HB GLU 35 14 Dist = 1.33
A 1HB TRP 65 - A 1HB PHE 84 6 Dist = 1.34
A 2HH2 ARG 64 - A 2HB GLU 83 3 Dist = 1.45
A 1HD2 LEU 16 - A 2HB GLU 35 20 Dist = 1.47
A 2HG2 VAL 43 - A 1HH2 ARG 55 1 Dist = 1.47
A 2HH2 ARG 25 - A 1HG GLU 61 8 Dist = 1.50
A HH TYR 90 - A 1HB LEU 134 4 Dist = 1.51
A HA LEU 102 - A 2HD LYS 105 4 Dist = 1.51
A HE2 TYR 42 - A HZ PHE 54 2 Dist = 1.51
A HD1 TYR 78 - A HE1 PHE 80 3 Dist = 1.51
A 2HD2 LEU 16 - A 2HB GLU 35 9 Dist = 1.52
A HE2 TYR 42 - A HE1 PHE 54 11 Dist = 1.52
A 1HD2 LEU 16 - A 2HB GLU 35 6 Dist = 1.52
A 2HD LYS 68 - A HZ3 TRP 70 8 Dist = 1.52
A 2HG LYS 68 - A HZ3 TRP 70 1 Dist = 1.53
A 2HB GLU 96 - A 2HD LYS 114 20 Dist = 1.54
A 1HD2 LEU 102 - A HG LEU 153 1 Dist = 1.54
A H ALA 20 - A 1HD ARG 31 10 Dist = 1.55
A OE2 GLU 163 - A HG CYS 165 17 Dist = 1.55
A OD2 ASP 74 - A 3HZ LYS 164 11 Dist = 1.55
A 1HG LYS 105 - A 3HG1 VAL 158 6 Dist = 1.55
A OD1 ASP 85 - A 3HZ LYS 114 4 Dist = 1.56
A HE3 TRP 28 - A 1HH2 ARG 31 12 Dist = 1.56
A 2HZ LYS 77 - A OE2 GLU 79 20 Dist = 1.57
A 1HZ LYS 17 - A OE2 GLU 34 4 Dist = 1.57
A 2HD2 LEU 16 - A 1HG GLU 35 2 Dist = 1.57
A 2HZ LYS 47 - A OD1 ASP 52 7 Dist = 1.58
A 1HD2 LEU 16 - A 1HB GLU 35 8 Dist = 1.58
A 2HB TRP 70 - A HA GLU 79 13 Dist = 1.58
A 2HB TRP 70 - A 2HB GLU 79 7 Dist = 1.58
A HD2 TYR 42 - A HZ PHE 54 9 Dist = 1.58
A 1HH2 ARG 31 - A 2HG PRO 91 14 Dist = 1.59
A 2HH2 ARG 31 - A 1HA GLY 133 11 Dist = 1.59
A 1HG2 THR 89 - A HB THR 92 14 Dist = 1.59
A HD2 TYR 42 - A HE1 PHE 54 1 Dist = 1.59
A OE1 GLU 79 - A HE2 HIS 161 16 Dist = 1.60
A OE1 GLU 96 - A 2HZ LYS 114 2 Dist = 1.60
A OD2 ASP 152 - A 2HZ LYS 156 2 Dist = 1.60
A OE2 GLU 96 - A 2HZ LYS 114 9 Dist = 1.60
A 1HZ LYS 17 - A OE1 GLU 34 7 Dist = 1.60
A 1HZ LYS 164 - A OE1 GLU 169 1 Dist = 1.60
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.004 Angstroms
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 0.6 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
--------------------------------------------------------------------------------
-3.6 HIS A 173 1 N - CA - C 107.6 111.2
-4.5 HIS A 170 9 N - CA - C 106.7 111.2
3.8 ALA A 2 10 C - N - CA 125.5 121.7
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 ASN 19 1HD2
1 A ASN 19 2HD2
1 A GLN 30 1HE2
1 A GLN 30 2HE2
1 A GLN 37 1HE2
1 A GLN 37 2HE2
1 A ASN 45 1HD2
1 A ASN 45 2HD2
1 A ASN 46 1HD2
1 A ASN 46 2HD2
1 A ASN 48 1HD2
1 A ASN 48 2HD2
1 A ASN 51 1HD2
1 A ASN 51 2HD2
1 A ASN 59 1HD2
1 A ASN 59 2HD2
1 A ASN 128 1HD2
1 A ASN 128 2HD2
1 A GLN 155 1HE2
1 A GLN 155 2HE2
1 A GLN 160 1HE2
1 A GLN 160 2HE2
1 A ASN 166 1HD2
1 A ASN 166 2HD2
1 A GLN 167 1HE2
1 A GLN 167 2HE2
2 A ASN 19 1HD2
2 A ASN 19 2HD2
2 A GLN 30 1HE2
2 A GLN 30 2HE2
2 A GLN 37 1HE2
2 A GLN 37 2HE2
2 A ASN 45 1HD2
2 A ASN 45 2HD2
2 A ASN 46 1HD2
2 A ASN 46 2HD2
2 A ASN 48 1HD2
2 A ASN 48 2HD2
2 A ASN 51 1HD2
2 A ASN 51 2HD2
2 A ASN 59 1HD2
2 A ASN 59 2HD2
2 A ASN 128 1HD2
2 A ASN 128 2HD2
2 A GLN 155 1HE2
2 A GLN 155 2HE2
2 A GLN 160 1HE2
2 A GLN 160 2HE2
2 A ASN 166 1HD2
2 A ASN 166 2HD2
2 A GLN 167 1HE2
2 A GLN 167 2HE2
3 A ASN 19 1HD2
3 A ASN 19 2HD2
3 A GLN 30 1HE2
3 A GLN 30 2HE2
3 A GLN 37 1HE2
3 A GLN 37 2HE2
3 A ASN 45 1HD2
3 A ASN 45 2HD2
3 A ASN 46 1HD2
3 A ASN 46 2HD2
3 A ASN 48 1HD2
3 A ASN 48 2HD2
3 A ASN 51 1HD2
3 A ASN 51 2HD2
3 A ASN 59 1HD2
3 A ASN 59 2HD2
3 A ASN 128 1HD2
3 A ASN 128 2HD2
3 A GLN 155 1HE2
3 A GLN 155 2HE2
3 A GLN 160 1HE2
3 A GLN 160 2HE2
3 A ASN 166 1HD2
3 A ASN 166 2HD2
3 A GLN 167 1HE2
3 A GLN 167 2HE2
4 A ASN 19 1HD2
4 A ASN 19 2HD2
4 A GLN 30 1HE2
4 A GLN 30 2HE2
4 A GLN 37 1HE2
4 A GLN 37 2HE2
4 A ASN 45 1HD2
4 A ASN 45 2HD2
4 A ASN 46 1HD2
4 A ASN 46 2HD2
4 A ASN 48 1HD2
4 A ASN 48 2HD2
4 A ASN 51 1HD2
4 A ASN 51 2HD2
4 A ASN 59 1HD2
4 A ASN 59 2HD2
4 A ASN 128 1HD2
4 A ASN 128 2HD2
4 A GLN 155 1HE2
4 A GLN 155 2HE2
4 A GLN 160 1HE2
4 A GLN 160 2HE2
4 A ASN 166 1HD2
4 A ASN 166 2HD2
4 A GLN 167 1HE2
4 A GLN 167 2HE2
5 A ASN 19 1HD2
5 A ASN 19 2HD2
5 A GLN 30 1HE2
5 A GLN 30 2HE2
5 A GLN 37 1HE2
5 A GLN 37 2HE2
5 A ASN 45 1HD2
5 A ASN 45 2HD2
5 A ASN 46 1HD2
5 A ASN 46 2HD2
5 A ASN 48 1HD2
5 A ASN 48 2HD2
5 A ASN 51 1HD2
5 A ASN 51 2HD2
5 A ASN 59 1HD2
5 A ASN 59 2HD2
5 A ASN 128 1HD2
5 A ASN 128 2HD2
5 A GLN 155 1HE2
5 A GLN 155 2HE2
5 A GLN 160 1HE2
5 A GLN 160 2HE2
5 A ASN 166 1HD2
5 A ASN 166 2HD2
5 A GLN 167 1HE2
5 A GLN 167 2HE2
6 A ASN 19 1HD2
6 A ASN 19 2HD2
6 A GLN 30 1HE2
6 A GLN 30 2HE2
6 A GLN 37 1HE2
6 A GLN 37 2HE2
6 A ASN 45 1HD2
6 A ASN 45 2HD2
6 A ASN 46 1HD2
6 A ASN 46 2HD2
6 A ASN 48 1HD2
6 A ASN 48 2HD2
6 A ASN 51 1HD2
6 A ASN 51 2HD2
6 A ASN 59 1HD2
6 A ASN 59 2HD2
6 A ASN 128 1HD2
6 A ASN 128 2HD2
6 A GLN 155 1HE2
6 A GLN 155 2HE2
6 A GLN 160 1HE2
6 A GLN 160 2HE2
6 A ASN 166 1HD2
6 A ASN 166 2HD2
6 A GLN 167 1HE2
6 A GLN 167 2HE2
7 A ASN 19 1HD2
7 A ASN 19 2HD2
7 A GLN 30 1HE2
7 A GLN 30 2HE2
7 A GLN 37 1HE2
7 A GLN 37 2HE2
7 A ASN 45 1HD2
7 A ASN 45 2HD2
7 A ASN 46 1HD2
7 A ASN 46 2HD2
7 A ASN 48 1HD2
7 A ASN 48 2HD2
7 A ASN 51 1HD2
7 A ASN 51 2HD2
7 A ASN 59 1HD2
7 A ASN 59 2HD2
7 A ASN 128 1HD2
7 A ASN 128 2HD2
7 A GLN 155 1HE2
7 A GLN 155 2HE2
7 A GLN 160 1HE2
7 A GLN 160 2HE2
7 A ASN 166 1HD2
7 A ASN 166 2HD2
7 A GLN 167 1HE2
7 A GLN 167 2HE2
8 A ASN 19 1HD2
8 A ASN 19 2HD2
8 A GLN 30 1HE2
8 A GLN 30 2HE2
8 A GLN 37 1HE2
8 A GLN 37 2HE2
8 A ASN 45 1HD2
8 A ASN 45 2HD2
8 A ASN 46 1HD2
8 A ASN 46 2HD2
8 A ASN 48 1HD2
8 A ASN 48 2HD2
8 A ASN 51 1HD2
8 A ASN 51 2HD2
8 A ASN 59 1HD2
8 A ASN 59 2HD2
8 A ASN 128 1HD2
8 A ASN 128 2HD2
8 A GLN 155 1HE2
8 A GLN 155 2HE2
8 A GLN 160 1HE2
8 A GLN 160 2HE2
8 A ASN 166 1HD2
8 A ASN 166 2HD2
8 A GLN 167 1HE2
8 A GLN 167 2HE2
9 A ASN 19 1HD2
9 A ASN 19 2HD2
9 A GLN 30 1HE2
9 A GLN 30 2HE2
9 A GLN 37 1HE2
9 A GLN 37 2HE2
9 A ASN 45 1HD2
9 A ASN 45 2HD2
9 A ASN 46 1HD2
9 A ASN 46 2HD2
9 A ASN 48 1HD2
9 A ASN 48 2HD2
9 A ASN 51 1HD2
9 A ASN 51 2HD2
9 A ASN 59 1HD2
9 A ASN 59 2HD2
9 A ASN 128 1HD2
9 A ASN 128 2HD2
9 A GLN 155 1HE2
9 A GLN 155 2HE2
9 A GLN 160 1HE2
9 A GLN 160 2HE2
9 A ASN 166 1HD2
9 A ASN 166 2HD2
9 A GLN 167 1HE2
9 A GLN 167 2HE2
10 A ASN 19 1HD2
10 A ASN 19 2HD2
10 A GLN 30 1HE2
10 A GLN 30 2HE2
10 A GLN 37 1HE2
10 A GLN 37 2HE2
10 A ASN 45 1HD2
10 A ASN 45 2HD2
10 A ASN 46 1HD2
10 A ASN 46 2HD2
10 A ASN 48 1HD2
10 A ASN 48 2HD2
10 A ASN 51 1HD2
10 A ASN 51 2HD2
10 A ASN 59 1HD2
10 A ASN 59 2HD2
10 A ASN 128 1HD2
10 A ASN 128 2HD2
10 A GLN 155 1HE2
10 A GLN 155 2HE2
10 A GLN 160 1HE2
10 A GLN 160 2HE2
10 A ASN 166 1HD2
10 A ASN 166 2HD2
10 A GLN 167 1HE2
10 A GLN 167 2HE2
11 A ASN 19 1HD2
11 A ASN 19 2HD2
11 A GLN 30 1HE2
11 A GLN 30 2HE2
11 A GLN 37 1HE2
11 A GLN 37 2HE2
11 A ASN 45 1HD2
11 A ASN 45 2HD2
11 A ASN 46 1HD2
11 A ASN 46 2HD2
11 A ASN 48 1HD2
11 A ASN 48 2HD2
11 A ASN 51 1HD2
11 A ASN 51 2HD2
11 A ASN 59 1HD2
11 A ASN 59 2HD2
11 A ASN 128 1HD2
11 A ASN 128 2HD2
11 A GLN 155 1HE2
11 A GLN 155 2HE2
11 A GLN 160 1HE2
11 A GLN 160 2HE2
11 A ASN 166 1HD2
11 A ASN 166 2HD2
11 A GLN 167 1HE2
11 A GLN 167 2HE2
12 A ASN 19 1HD2
12 A ASN 19 2HD2
12 A GLN 30 1HE2
12 A GLN 30 2HE2
12 A GLN 37 1HE2
12 A GLN 37 2HE2
12 A ASN 45 1HD2
12 A ASN 45 2HD2
12 A ASN 46 1HD2
12 A ASN 46 2HD2
12 A ASN 48 1HD2
12 A ASN 48 2HD2
12 A ASN 51 1HD2
12 A ASN 51 2HD2
12 A ASN 59 1HD2
12 A ASN 59 2HD2
12 A ASN 128 1HD2
12 A ASN 128 2HD2
12 A GLN 155 1HE2
12 A GLN 155 2HE2
12 A GLN 160 1HE2
12 A GLN 160 2HE2
12 A ASN 166 1HD2
12 A ASN 166 2HD2
12 A GLN 167 1HE2
12 A GLN 167 2HE2
13 A ASN 19 1HD2
13 A ASN 19 2HD2
13 A GLN 30 1HE2
13 A GLN 30 2HE2
13 A GLN 37 1HE2
13 A GLN 37 2HE2
13 A ASN 45 1HD2
13 A ASN 45 2HD2
13 A ASN 46 1HD2
13 A ASN 46 2HD2
13 A ASN 48 1HD2
13 A ASN 48 2HD2
13 A ASN 51 1HD2
13 A ASN 51 2HD2
13 A ASN 59 1HD2
13 A ASN 59 2HD2
13 A ASN 128 1HD2
13 A ASN 128 2HD2
13 A GLN 155 1HE2
13 A GLN 155 2HE2
13 A GLN 160 1HE2
13 A GLN 160 2HE2
13 A ASN 166 1HD2
13 A ASN 166 2HD2
13 A GLN 167 1HE2
13 A GLN 167 2HE2
14 A ASN 19 1HD2
14 A ASN 19 2HD2
14 A GLN 30 1HE2
14 A GLN 30 2HE2
14 A GLN 37 1HE2
14 A GLN 37 2HE2
14 A ASN 45 1HD2
14 A ASN 45 2HD2
14 A ASN 46 1HD2
14 A ASN 46 2HD2
14 A ASN 48 1HD2
14 A ASN 48 2HD2
14 A ASN 51 1HD2
14 A ASN 51 2HD2
14 A ASN 59 1HD2
14 A ASN 59 2HD2
14 A ASN 128 1HD2
14 A ASN 128 2HD2
14 A GLN 155 1HE2
14 A GLN 155 2HE2
14 A GLN 160 1HE2
14 A GLN 160 2HE2
14 A ASN 166 1HD2
14 A ASN 166 2HD2
14 A GLN 167 1HE2
14 A GLN 167 2HE2
15 A ASN 19 1HD2
15 A ASN 19 2HD2
15 A GLN 30 1HE2
15 A GLN 30 2HE2
15 A GLN 37 1HE2
15 A GLN 37 2HE2
15 A ASN 45 1HD2
15 A ASN 45 2HD2
15 A ASN 46 1HD2
15 A ASN 46 2HD2
15 A ASN 48 1HD2
15 A ASN 48 2HD2
15 A ASN 51 1HD2
15 A ASN 51 2HD2
15 A ASN 59 1HD2
15 A ASN 59 2HD2
15 A ASN 128 1HD2
15 A ASN 128 2HD2
15 A GLN 155 1HE2
15 A GLN 155 2HE2
15 A GLN 160 1HE2
15 A GLN 160 2HE2
15 A ASN 166 1HD2
15 A ASN 166 2HD2
15 A GLN 167 1HE2
15 A GLN 167 2HE2
16 A ASN 19 1HD2
16 A ASN 19 2HD2
16 A GLN 30 1HE2
16 A GLN 30 2HE2
16 A GLN 37 1HE2
16 A GLN 37 2HE2
16 A ASN 45 1HD2
16 A ASN 45 2HD2
16 A ASN 46 1HD2
16 A ASN 46 2HD2
16 A ASN 48 1HD2
16 A ASN 48 2HD2
16 A ASN 51 1HD2
16 A ASN 51 2HD2
16 A ASN 59 1HD2
16 A ASN 59 2HD2
16 A ASN 128 1HD2
16 A ASN 128 2HD2
16 A GLN 155 1HE2
16 A GLN 155 2HE2
16 A GLN 160 1HE2
16 A GLN 160 2HE2
16 A ASN 166 1HD2
16 A ASN 166 2HD2
16 A GLN 167 1HE2
16 A GLN 167 2HE2
17 A ASN 19 1HD2
17 A ASN 19 2HD2
17 A GLN 30 1HE2
17 A GLN 30 2HE2
17 A GLN 37 1HE2
17 A GLN 37 2HE2
17 A ASN 45 1HD2
17 A ASN 45 2HD2
17 A ASN 46 1HD2
17 A ASN 46 2HD2
17 A ASN 48 1HD2
17 A ASN 48 2HD2
17 A ASN 51 1HD2
17 A ASN 51 2HD2
17 A ASN 59 1HD2
17 A ASN 59 2HD2
17 A ASN 128 1HD2
17 A ASN 128 2HD2
17 A GLN 155 1HE2
17 A GLN 155 2HE2
17 A GLN 160 1HE2
17 A GLN 160 2HE2
17 A ASN 166 1HD2
17 A ASN 166 2HD2
17 A GLN 167 1HE2
17 A GLN 167 2HE2
18 A ASN 19 1HD2
18 A ASN 19 2HD2
18 A GLN 30 1HE2
18 A GLN 30 2HE2
18 A GLN 37 1HE2
18 A GLN 37 2HE2
18 A ASN 45 1HD2
18 A ASN 45 2HD2
18 A ASN 46 1HD2
18 A ASN 46 2HD2
18 A ASN 48 1HD2
18 A ASN 48 2HD2
18 A ASN 51 1HD2
18 A ASN 51 2HD2
18 A ASN 59 1HD2
18 A ASN 59 2HD2
18 A ASN 128 1HD2
18 A ASN 128 2HD2
18 A GLN 155 1HE2
18 A GLN 155 2HE2
18 A GLN 160 1HE2
18 A GLN 160 2HE2
18 A ASN 166 1HD2
18 A ASN 166 2HD2
18 A GLN 167 1HE2
18 A GLN 167 2HE2
19 A ASN 19 1HD2
19 A ASN 19 2HD2
19 A GLN 30 1HE2
19 A GLN 30 2HE2
19 A GLN 37 1HE2
19 A GLN 37 2HE2
19 A ASN 45 1HD2
19 A ASN 45 2HD2
19 A ASN 46 1HD2
19 A ASN 46 2HD2
19 A ASN 48 1HD2
19 A ASN 48 2HD2
19 A ASN 51 1HD2
19 A ASN 51 2HD2
19 A ASN 59 1HD2
19 A ASN 59 2HD2
19 A ASN 128 1HD2
19 A ASN 128 2HD2
19 A GLN 155 1HE2
19 A GLN 155 2HE2
19 A GLN 160 1HE2
19 A GLN 160 2HE2
19 A ASN 166 1HD2
19 A ASN 166 2HD2
19 A GLN 167 1HE2
19 A GLN 167 2HE2
20 A ASN 19 1HD2
20 A ASN 19 2HD2
20 A GLN 30 1HE2
20 A GLN 30 2HE2
20 A GLN 37 1HE2
20 A GLN 37 2HE2
20 A ASN 45 1HD2
20 A ASN 45 2HD2
20 A ASN 46 1HD2
20 A ASN 46 2HD2
20 A ASN 48 1HD2
20 A ASN 48 2HD2
20 A ASN 51 1HD2
20 A ASN 51 2HD2
20 A ASN 59 1HD2
20 A ASN 59 2HD2
20 A ASN 128 1HD2
20 A ASN 128 2HD2
20 A GLN 155 1HE2
20 A GLN 155 2HE2
20 A GLN 160 1HE2
20 A GLN 160 2HE2
20 A ASN 166 1HD2
20 A ASN 166 2HD2
20 A GLN 167 1HE2
20 A GLN 167 2HE2
OTHER IMPORTANT ISSUES
==> The following residues are missing:
(Note: The SEQ number starts from 1 for each chain according to SEQRES
sequence record.)
RES MOD#C SEQ
MET( 1 A-174 )
ALA( 1 A-173 )
ASP( 1 A-172 )
GLU( 1 A-171 )
ALA( 1 A-170 )
THR( 1 A-169 )
ARG( 1 A-168 )
ARG( 1 A-167 )
VAL( 1 A-166 )
VAL( 1 A-165 )
SER( 1 A-164 )
GLU( 1 A-163 )
ILE( 1 A-162 )
PRO( 1 A-161 )
VAL( 1 A-160 )
LEU( 1 A-159 )
LYS( 1 A-158 )
THR( 1 A-157 )
ASN( 1 A-156 )
ALA( 1 A-155 )
GLY( 1 A-154 )
PRO( 1 A-153 )
ARG( 1 A-152 )
ASP( 1 A-151 )
ARG( 1 A-150 )
GLU( 1 A-149 )
LEU( 1 A-148 )
TRP( 1 A-147 )
VAL( 1 A-146 )
GLN( 1 A-145 )
ARG( 1 A-144 )
LEU( 1 A-143 )
LYS( 1 A-142 )
GLU( 1 A-141 )
GLU( 1 A-140 )
TYR( 1 A-139 )
GLN( 1 A-138 )
SER( 1 A-137 )
LEU( 1 A-136 )
ILE( 1 A-135 )
ARG( 1 A-134 )
TYR( 1 A-133 )
VAL( 1 A-132 )
GLU( 1 A-131 )
ASN( 1 A-130 )
ASN( 1 A-129 )
LYS( 1 A-128 )
ASN( 1 A-127 )
ALA( 1 A-126 )
ASP( 1 A-125 )
ASN( 1 A-124 )
ASP( 1 A-123 )
TRP( 1 A-122 )
PHE( 1 A-121 )
ARG( 1 A-120 )
LEU( 1 A-119 )
GLU( 1 A-118 )
SER( 1 A-117 )
ASN( 1 A-116 )
LYS( 1 A-115 )
GLU( 1 A-114 )
GLY( 1 A-113 )
THR( 1 A-112 )
ARG( 1 A-111 )
TRP( 1 A-110 )
PHE( 1 A-109 )
GLY( 1 A-108 )
LYS( 1 A-107 )
CYS( 1 A-106 )
TRP( 1 A-105 )
TYR( 1 A-104 )
ILE( 1 A-103 )
HIS( 1 A-102 )
ASP( 1 A-101 )
LEU( 1 A-100 )
LEU( 1 A -99 )
LYS( 1 A -98 )
TYR( 1 A -97 )
GLU( 1 A -96 )
PHE( 1 A -95 )
ASP( 1 A -94 )
ILE( 1 A -93 )
GLU( 1 A -92 )
PHE( 1 A -91 )
ASP( 1 A -90 )
ILE( 1 A -89 )
PRO( 1 A -88 )
ILE( 1 A -87 )
THR( 1 A -86 )
TYR( 1 A -85 )
PRO( 1 A -84 )
THR( 1 A -83 )
THR( 1 A -82 )
ALA( 1 A -81 )
PRO( 1 A -80 )
GLU( 1 A -79 )
ILE( 1 A -78 )
ALA( 1 A -77 )
VAL( 1 A -76 )
PRO( 1 A -75 )
GLU( 1 A -74 )
LEU( 1 A -73 )
ASP( 1 A -72 )
GLY( 1 A -71 )
LYS( 1 A -70 )
THR( 1 A -69 )
ALA( 1 A -68 )
LYS( 1 A -67 )
MET( 1 A -66 )
TYR( 1 A -65 )
ARG( 1 A -64 )
GLY( 1 A -63 )
GLY( 1 A -62 )
LYS( 1 A -61 )
ILE( 1 A -60 )
CYS( 1 A -59 )
LEU( 1 A -58 )
THR( 1 A -57 )
ASP( 1 A -56 )
HIS( 1 A -55 )
PHE( 1 A -54 )
LYS( 1 A -53 )
PRO( 1 A -52 )
LEU( 1 A -51 )
TRP( 1 A -50 )
ALA( 1 A -49 )
ARG( 1 A -48 )
ASN( 1 A -47 )
VAL( 1 A -46 )
PRO( 1 A -45 )
LYS( 1 A -44 )
PHE( 1 A -43 )
GLY( 1 A -42 )
LEU( 1 A -41 )
ALA( 1 A -40 )
HIS( 1 A -39 )
LEU( 1 A -38 )
MET( 1 A -37 )
ALA( 1 A -36 )
LEU( 1 A -35 )
GLY( 1 A -34 )
LEU( 1 A -33 )
GLY( 1 A -32 )
PRO( 1 A -31 )
TRP( 1 A -30 )
LEU( 1 A -29 )
ALA( 1 A -28 )
VAL( 1 A -27 )
GLU( 1 A -26 )
ILE( 1 A -25 )
PRO( 1 A -24 )
ASP( 1 A -23 )
LEU( 1 A -22 )
ILE( 1 A -21 )
GLN( 1 A -20 )
LYS( 1 A -19 )
GLY( 1 A -18 )
VAL( 1 A -17 )
ILE( 1 A -16 )
GLN( 1 A -15 )
HIS( 1 A -14 )
LYS( 1 A -13 )
GLU( 1 A -12 )
LYS( 1 A -11 )
CYS( 1 A -10 )
ASN( 1 A -9 )
GLN( 1 A -8 )
LEU( 1 A -7 )
GLU( 1 A -6 )
HIS( 1 A -5 )
HIS( 1 A -4 )
HIS( 1 A -3 )
HIS( 1 A -2 )
HIS( 1 A -1 )
HIS( 1 A 0 )
MET( 2 A-174 )
ALA( 2 A-173 )
ASP( 2 A-172 )
GLU( 2 A-171 )
ALA( 2 A-170 )
THR( 2 A-169 )
ARG( 2 A-168 )
ARG( 2 A-167 )
VAL( 2 A-166 )
VAL( 2 A-165 )
SER( 2 A-164 )
GLU( 2 A-163 )
ILE( 2 A-162 )
PRO( 2 A-161 )
VAL( 2 A-160 )
LEU( 2 A-159 )
LYS( 2 A-158 )
THR( 2 A-157 )
ASN( 2 A-156 )
ALA( 2 A-155 )
GLY( 2 A-154 )
PRO( 2 A-153 )
ARG( 2 A-152 )
ASP( 2 A-151 )
ARG( 2 A-150 )
GLU( 2 A-149 )
LEU( 2 A-148 )
TRP( 2 A-147 )
VAL( 2 A-146 )
GLN( 2 A-145 )
ARG( 2 A-144 )
LEU( 2 A-143 )
LYS( 2 A-142 )
GLU( 2 A-141 )
GLU( 2 A-140 )
TYR( 2 A-139 )
GLN( 2 A-138 )
SER( 2 A-137 )
LEU( 2 A-136 )
ILE( 2 A-135 )
ARG( 2 A-134 )
TYR( 2 A-133 )
VAL( 2 A-132 )
GLU( 2 A-131 )
ASN( 2 A-130 )
ASN( 2 A-129 )
LYS( 2 A-128 )
ASN( 2 A-127 )
ALA( 2 A-126 )
ASP( 2 A-125 )
ASN( 2 A-124 )
ASP( 2 A-123 )
TRP( 2 A-122 )
PHE( 2 A-121 )
ARG( 2 A-120 )
LEU( 2 A-119 )
GLU( 2 A-118 )
SER( 2 A-117 )
ASN( 2 A-116 )
LYS( 2 A-115 )
GLU( 2 A-114 )
GLY( 2 A-113 )
THR( 2 A-112 )
ARG( 2 A-111 )
TRP( 2 A-110 )
PHE( 2 A-109 )
GLY( 2 A-108 )
LYS( 2 A-107 )
CYS( 2 A-106 )
TRP( 2 A-105 )
TYR( 2 A-104 )
ILE( 2 A-103 )
HIS( 2 A-102 )
ASP( 2 A-101 )
LEU( 2 A-100 )
LEU( 2 A -99 )
LYS( 2 A -98 )
TYR( 2 A -97 )
GLU( 2 A -96 )
PHE( 2 A -95 )
ASP( 2 A -94 )
ILE( 2 A -93 )
GLU( 2 A -92 )
PHE( 2 A -91 )
ASP( 2 A -90 )
ILE( 2 A -89 )
PRO( 2 A -88 )
ILE( 2 A -87 )
THR( 2 A -86 )
TYR( 2 A -85 )
PRO( 2 A -84 )
THR( 2 A -83 )
THR( 2 A -82 )
ALA( 2 A -81 )
PRO( 2 A -80 )
GLU( 2 A -79 )
ILE( 2 A -78 )
ALA( 2 A -77 )
VAL( 2 A -76 )
PRO( 2 A -75 )
GLU( 2 A -74 )
LEU( 2 A -73 )
ASP( 2 A -72 )
GLY( 2 A -71 )
LYS( 2 A -70 )
THR( 2 A -69 )
ALA( 2 A -68 )
LYS( 2 A -67 )
MET( 2 A -66 )
TYR( 2 A -65 )
ARG( 2 A -64 )
GLY( 2 A -63 )
GLY( 2 A -62 )
LYS( 2 A -61 )
ILE( 2 A -60 )
CYS( 2 A -59 )
LEU( 2 A -58 )
THR( 2 A -57 )
ASP( 2 A -56 )
HIS( 2 A -55 )
PHE( 2 A -54 )
LYS( 2 A -53 )
PRO( 2 A -52 )
LEU( 2 A -51 )
TRP( 2 A -50 )
ALA( 2 A -49 )
ARG( 2 A -48 )
ASN( 2 A -47 )
VAL( 2 A -46 )
PRO( 2 A -45 )
LYS( 2 A -44 )
PHE( 2 A -43 )
GLY( 2 A -42 )
LEU( 2 A -41 )
ALA( 2 A -40 )
HIS( 2 A -39 )
LEU( 2 A -38 )
MET( 2 A -37 )
ALA( 2 A -36 )
LEU( 2 A -35 )
GLY( 2 A -34 )
LEU( 2 A -33 )
GLY( 2 A -32 )
PRO( 2 A -31 )
TRP( 2 A -30 )
LEU( 2 A -29 )
ALA( 2 A -28 )
VAL( 2 A -27 )
GLU( 2 A -26 )
ILE( 2 A -25 )
PRO( 2 A -24 )
ASP( 2 A -23 )
LEU( 2 A -22 )
ILE( 2 A -21 )
GLN( 2 A -20 )
LYS( 2 A -19 )
GLY( 2 A -18 )
VAL( 2 A -17 )
ILE( 2 A -16 )
GLN( 2 A -15 )
HIS( 2 A -14 )
LYS( 2 A -13 )
GLU( 2 A -12 )
LYS( 2 A -11 )
CYS( 2 A -10 )
ASN( 2 A -9 )
GLN( 2 A -8 )
LEU( 2 A -7 )
GLU( 2 A -6 )
HIS( 2 A -5 )
HIS( 2 A -4 )
HIS( 2 A -3 )
HIS( 2 A -2 )
HIS( 2 A -1 )
HIS( 2 A 0 )
MET( 3 A-174 )
ALA( 3 A-173 )
ASP( 3 A-172 )
GLU( 3 A-171 )
ALA( 3 A-170 )
THR( 3 A-169 )
ARG( 3 A-168 )
ARG( 3 A-167 )
VAL( 3 A-166 )
VAL( 3 A-165 )
SER( 3 A-164 )
GLU( 3 A-163 )
ILE( 3 A-162 )
PRO( 3 A-161 )
VAL( 3 A-160 )
LEU( 3 A-159 )
LYS( 3 A-158 )
THR( 3 A-157 )
ASN( 3 A-156 )
ALA( 3 A-155 )
GLY( 3 A-154 )
PRO( 3 A-153 )
ARG( 3 A-152 )
ASP( 3 A-151 )
ARG( 3 A-150 )
GLU( 3 A-149 )
LEU( 3 A-148 )
TRP( 3 A-147 )
VAL( 3 A-146 )
GLN( 3 A-145 )
ARG( 3 A-144 )
LEU( 3 A-143 )
LYS( 3 A-142 )
GLU( 3 A-141 )
GLU( 3 A-140 )
TYR( 3 A-139 )
GLN( 3 A-138 )
SER( 3 A-137 )
LEU( 3 A-136 )
ILE( 3 A-135 )
ARG( 3 A-134 )
TYR( 3 A-133 )
VAL( 3 A-132 )
GLU( 3 A-131 )
ASN( 3 A-130 )
ASN( 3 A-129 )
LYS( 3 A-128 )
ASN( 3 A-127 )
ALA( 3 A-126 )
ASP( 3 A-125 )
ASN( 3 A-124 )
ASP( 3 A-123 )
TRP( 3 A-122 )
PHE( 3 A-121 )
ARG( 3 A-120 )
LEU( 3 A-119 )
GLU( 3 A-118 )
SER( 3 A-117 )
ASN( 3 A-116 )
LYS( 3 A-115 )
GLU( 3 A-114 )
GLY( 3 A-113 )
THR( 3 A-112 )
ARG( 3 A-111 )
TRP( 3 A-110 )
PHE( 3 A-109 )
GLY( 3 A-108 )
LYS( 3 A-107 )
CYS( 3 A-106 )
TRP( 3 A-105 )
TYR( 3 A-104 )
ILE( 3 A-103 )
HIS( 3 A-102 )
ASP( 3 A-101 )
LEU( 3 A-100 )
LEU( 3 A -99 )
LYS( 3 A -98 )
TYR( 3 A -97 )
GLU( 3 A -96 )
PHE( 3 A -95 )
ASP( 3 A -94 )
ILE( 3 A -93 )
GLU( 3 A -92 )
PHE( 3 A -91 )
ASP( 3 A -90 )
ILE( 3 A -89 )
PRO( 3 A -88 )
ILE( 3 A -87 )
THR( 3 A -86 )
TYR( 3 A -85 )
PRO( 3 A -84 )
THR( 3 A -83 )
THR( 3 A -82 )
ALA( 3 A -81 )
PRO( 3 A -80 )
GLU( 3 A -79 )
ILE( 3 A -78 )
ALA( 3 A -77 )
VAL( 3 A -76 )
PRO( 3 A -75 )
GLU( 3 A -74 )
LEU( 3 A -73 )
ASP( 3 A -72 )
GLY( 3 A -71 )
LYS( 3 A -70 )
THR( 3 A -69 )
ALA( 3 A -68 )
LYS( 3 A -67 )
MET( 3 A -66 )
TYR( 3 A -65 )
ARG( 3 A -64 )
GLY( 3 A -63 )
GLY( 3 A -62 )
LYS( 3 A -61 )
ILE( 3 A -60 )
CYS( 3 A -59 )
LEU( 3 A -58 )
THR( 3 A -57 )
ASP( 3 A -56 )
HIS( 3 A -55 )
PHE( 3 A -54 )
LYS( 3 A -53 )
PRO( 3 A -52 )
LEU( 3 A -51 )
TRP( 3 A -50 )
ALA( 3 A -49 )
ARG( 3 A -48 )
ASN( 3 A -47 )
VAL( 3 A -46 )
PRO( 3 A -45 )
LYS( 3 A -44 )
PHE( 3 A -43 )
GLY( 3 A -42 )
LEU( 3 A -41 )
ALA( 3 A -40 )
HIS( 3 A -39 )
LEU( 3 A -38 )
MET( 3 A -37 )
ALA( 3 A -36 )
LEU( 3 A -35 )
GLY( 3 A -34 )
LEU( 3 A -33 )
GLY( 3 A -32 )
PRO( 3 A -31 )
TRP( 3 A -30 )
LEU( 3 A -29 )
ALA( 3 A -28 )
VAL( 3 A -27 )
GLU( 3 A -26 )
ILE( 3 A -25 )
PRO( 3 A -24 )
ASP( 3 A -23 )
LEU( 3 A -22 )
ILE( 3 A -21 )
GLN( 3 A -20 )
LYS( 3 A -19 )
GLY( 3 A -18 )
VAL( 3 A -17 )
ILE( 3 A -16 )
GLN( 3 A -15 )
HIS( 3 A -14 )
LYS( 3 A -13 )
GLU( 3 A -12 )
LYS( 3 A -11 )
CYS( 3 A -10 )
ASN( 3 A -9 )
GLN( 3 A -8 )
LEU( 3 A -7 )
GLU( 3 A -6 )
HIS( 3 A -5 )
HIS( 3 A -4 )
HIS( 3 A -3 )
HIS( 3 A -2 )
HIS( 3 A -1 )
HIS( 3 A 0 )
MET( 4 A-174 )
ALA( 4 A-173 )
ASP( 4 A-172 )
GLU( 4 A-171 )
ALA( 4 A-170 )
THR( 4 A-169 )
ARG( 4 A-168 )
ARG( 4 A-167 )
VAL( 4 A-166 )
VAL( 4 A-165 )
SER( 4 A-164 )
GLU( 4 A-163 )
ILE( 4 A-162 )
PRO( 4 A-161 )
VAL( 4 A-160 )
LEU( 4 A-159 )
LYS( 4 A-158 )
THR( 4 A-157 )
ASN( 4 A-156 )
ALA( 4 A-155 )
GLY( 4 A-154 )
PRO( 4 A-153 )
ARG( 4 A-152 )
ASP( 4 A-151 )
ARG( 4 A-150 )
GLU( 4 A-149 )
LEU( 4 A-148 )
TRP( 4 A-147 )
VAL( 4 A-146 )
GLN( 4 A-145 )
ARG( 4 A-144 )
LEU( 4 A-143 )
LYS( 4 A-142 )
GLU( 4 A-141 )
GLU( 4 A-140 )
TYR( 4 A-139 )
GLN( 4 A-138 )
SER( 4 A-137 )
LEU( 4 A-136 )
ILE( 4 A-135 )
ARG( 4 A-134 )
TYR( 4 A-133 )
VAL( 4 A-132 )
GLU( 4 A-131 )
ASN( 4 A-130 )
ASN( 4 A-129 )
LYS( 4 A-128 )
ASN( 4 A-127 )
ALA( 4 A-126 )
ASP( 4 A-125 )
ASN( 4 A-124 )
ASP( 4 A-123 )
TRP( 4 A-122 )
PHE( 4 A-121 )
ARG( 4 A-120 )
LEU( 4 A-119 )
GLU( 4 A-118 )
SER( 4 A-117 )
ASN( 4 A-116 )
LYS( 4 A-115 )
GLU( 4 A-114 )
GLY( 4 A-113 )
THR( 4 A-112 )
ARG( 4 A-111 )
TRP( 4 A-110 )
PHE( 4 A-109 )
GLY( 4 A-108 )
LYS( 4 A-107 )
CYS( 4 A-106 )
TRP( 4 A-105 )
TYR( 4 A-104 )
ILE( 4 A-103 )
HIS( 4 A-102 )
ASP( 4 A-101 )
LEU( 4 A-100 )
LEU( 4 A -99 )
LYS( 4 A -98 )
TYR( 4 A -97 )
GLU( 4 A -96 )
PHE( 4 A -95 )
ASP( 4 A -94 )
ILE( 4 A -93 )
GLU( 4 A -92 )
PHE( 4 A -91 )
ASP( 4 A -90 )
ILE( 4 A -89 )
PRO( 4 A -88 )
ILE( 4 A -87 )
THR( 4 A -86 )
TYR( 4 A -85 )
PRO( 4 A -84 )
THR( 4 A -83 )
THR( 4 A -82 )
ALA( 4 A -81 )
PRO( 4 A -80 )
GLU( 4 A -79 )
ILE( 4 A -78 )
ALA( 4 A -77 )
VAL( 4 A -76 )
PRO( 4 A -75 )
GLU( 4 A -74 )
LEU( 4 A -73 )
ASP( 4 A -72 )
GLY( 4 A -71 )
LYS( 4 A -70 )
THR( 4 A -69 )
ALA( 4 A -68 )
LYS( 4 A -67 )
MET( 4 A -66 )
TYR( 4 A -65 )
ARG( 4 A -64 )
GLY( 4 A -63 )
GLY( 4 A -62 )
LYS( 4 A -61 )
ILE( 4 A -60 )
CYS( 4 A -59 )
LEU( 4 A -58 )
THR( 4 A -57 )
ASP( 4 A -56 )
HIS( 4 A -55 )
PHE( 4 A -54 )
LYS( 4 A -53 )
PRO( 4 A -52 )
LEU( 4 A -51 )
TRP( 4 A -50 )
ALA( 4 A -49 )
ARG( 4 A -48 )
ASN( 4 A -47 )
VAL( 4 A -46 )
PRO( 4 A -45 )
LYS( 4 A -44 )
PHE( 4 A -43 )
GLY( 4 A -42 )
LEU( 4 A -41 )
ALA( 4 A -40 )
HIS( 4 A -39 )
LEU( 4 A -38 )
MET( 4 A -37 )
ALA( 4 A -36 )
LEU( 4 A -35 )
GLY( 4 A -34 )
LEU( 4 A -33 )
GLY( 4 A -32 )
PRO( 4 A -31 )
TRP( 4 A -30 )
LEU( 4 A -29 )
ALA( 4 A -28 )
VAL( 4 A -27 )
GLU( 4 A -26 )
ILE( 4 A -25 )
PRO( 4 A -24 )
ASP( 4 A -23 )
LEU( 4 A -22 )
ILE( 4 A -21 )
GLN( 4 A -20 )
LYS( 4 A -19 )
GLY( 4 A -18 )
VAL( 4 A -17 )
ILE( 4 A -16 )
GLN( 4 A -15 )
HIS( 4 A -14 )
LYS( 4 A -13 )
GLU( 4 A -12 )
LYS( 4 A -11 )
CYS( 4 A -10 )
ASN( 4 A -9 )
GLN( 4 A -8 )
LEU( 4 A -7 )
GLU( 4 A -6 )
HIS( 4 A -5 )
HIS( 4 A -4 )
HIS( 4 A -3 )
HIS( 4 A -2 )
HIS( 4 A -1 )
HIS( 4 A 0 )
MET( 5 A-174 )
ALA( 5 A-173 )
ASP( 5 A-172 )
GLU( 5 A-171 )
ALA( 5 A-170 )
THR( 5 A-169 )
ARG( 5 A-168 )
ARG( 5 A-167 )
VAL( 5 A-166 )
VAL( 5 A-165 )
SER( 5 A-164 )
GLU( 5 A-163 )
ILE( 5 A-162 )
PRO( 5 A-161 )
VAL( 5 A-160 )
LEU( 5 A-159 )
LYS( 5 A-158 )
THR( 5 A-157 )
ASN( 5 A-156 )
ALA( 5 A-155 )
GLY( 5 A-154 )
PRO( 5 A-153 )
ARG( 5 A-152 )
ASP( 5 A-151 )
ARG( 5 A-150 )
GLU( 5 A-149 )
LEU( 5 A-148 )
TRP( 5 A-147 )
VAL( 5 A-146 )
GLN( 5 A-145 )
ARG( 5 A-144 )
LEU( 5 A-143 )
LYS( 5 A-142 )
GLU( 5 A-141 )
GLU( 5 A-140 )
TYR( 5 A-139 )
GLN( 5 A-138 )
SER( 5 A-137 )
LEU( 5 A-136 )
ILE( 5 A-135 )
ARG( 5 A-134 )
TYR( 5 A-133 )
VAL( 5 A-132 )
GLU( 5 A-131 )
ASN( 5 A-130 )
ASN( 5 A-129 )
LYS( 5 A-128 )
ASN( 5 A-127 )
ALA( 5 A-126 )
ASP( 5 A-125 )
ASN( 5 A-124 )
ASP( 5 A-123 )
TRP( 5 A-122 )
PHE( 5 A-121 )
ARG( 5 A-120 )
LEU( 5 A-119 )
GLU( 5 A-118 )
SER( 5 A-117 )
ASN( 5 A-116 )
LYS( 5 A-115 )
GLU( 5 A-114 )
GLY( 5 A-113 )
THR( 5 A-112 )
ARG( 5 A-111 )
TRP( 5 A-110 )
PHE( 5 A-109 )
GLY( 5 A-108 )
LYS( 5 A-107 )
CYS( 5 A-106 )
TRP( 5 A-105 )
TYR( 5 A-104 )
ILE( 5 A-103 )
HIS( 5 A-102 )
ASP( 5 A-101 )
LEU( 5 A-100 )
LEU( 5 A -99 )
LYS( 5 A -98 )
TYR( 5 A -97 )
GLU( 5 A -96 )
PHE( 5 A -95 )
ASP( 5 A -94 )
ILE( 5 A -93 )
GLU( 5 A -92 )
PHE( 5 A -91 )
ASP( 5 A -90 )
ILE( 5 A -89 )
PRO( 5 A -88 )
ILE( 5 A -87 )
THR( 5 A -86 )
TYR( 5 A -85 )
PRO( 5 A -84 )
THR( 5 A -83 )
THR( 5 A -82 )
ALA( 5 A -81 )
PRO( 5 A -80 )
GLU( 5 A -79 )
ILE( 5 A -78 )
ALA( 5 A -77 )
VAL( 5 A -76 )
PRO( 5 A -75 )
GLU( 5 A -74 )
LEU( 5 A -73 )
ASP( 5 A -72 )
GLY( 5 A -71 )
LYS( 5 A -70 )
THR( 5 A -69 )
ALA( 5 A -68 )
LYS( 5 A -67 )
MET( 5 A -66 )
TYR( 5 A -65 )
ARG( 5 A -64 )
GLY( 5 A -63 )
GLY( 5 A -62 )
LYS( 5 A -61 )
ILE( 5 A -60 )
CYS( 5 A -59 )
LEU( 5 A -58 )
THR( 5 A -57 )
ASP( 5 A -56 )
HIS( 5 A -55 )
PHE( 5 A -54 )
LYS( 5 A -53 )
PRO( 5 A -52 )
LEU( 5 A -51 )
TRP( 5 A -50 )
ALA( 5 A -49 )
ARG( 5 A -48 )
ASN( 5 A -47 )
VAL( 5 A -46 )
PRO( 5 A -45 )
LYS( 5 A -44 )
PHE( 5 A -43 )
GLY( 5 A -42 )
LEU( 5 A -41 )
ALA( 5 A -40 )
HIS( 5 A -39 )
LEU( 5 A -38 )
MET( 5 A -37 )
ALA( 5 A -36 )
LEU( 5 A -35 )
GLY( 5 A -34 )
LEU( 5 A -33 )
GLY( 5 A -32 )
PRO( 5 A -31 )
TRP( 5 A -30 )
LEU( 5 A -29 )
ALA( 5 A -28 )
VAL( 5 A -27 )
GLU( 5 A -26 )
ILE( 5 A -25 )
PRO( 5 A -24 )
ASP( 5 A -23 )
LEU( 5 A -22 )
ILE( 5 A -21 )
GLN( 5 A -20 )
LYS( 5 A -19 )
GLY( 5 A -18 )
VAL( 5 A -17 )
ILE( 5 A -16 )
GLN( 5 A -15 )
HIS( 5 A -14 )
LYS( 5 A -13 )
GLU( 5 A -12 )
LYS( 5 A -11 )
CYS( 5 A -10 )
ASN( 5 A -9 )
GLN( 5 A -8 )
LEU( 5 A -7 )
GLU( 5 A -6 )
HIS( 5 A -5 )
HIS( 5 A -4 )
HIS( 5 A -3 )
HIS( 5 A -2 )
HIS( 5 A -1 )
HIS( 5 A 0 )
MET( 6 A-174 )
ALA( 6 A-173 )
ASP( 6 A-172 )
GLU( 6 A-171 )
ALA( 6 A-170 )
THR( 6 A-169 )
ARG( 6 A-168 )
ARG( 6 A-167 )
VAL( 6 A-166 )
VAL( 6 A-165 )
SER( 6 A-164 )
GLU( 6 A-163 )
ILE( 6 A-162 )
PRO( 6 A-161 )
VAL( 6 A-160 )
LEU( 6 A-159 )
LYS( 6 A-158 )
THR( 6 A-157 )
ASN( 6 A-156 )
ALA( 6 A-155 )
GLY( 6 A-154 )
PRO( 6 A-153 )
ARG( 6 A-152 )
ASP( 6 A-151 )
ARG( 6 A-150 )
GLU( 6 A-149 )
LEU( 6 A-148 )
TRP( 6 A-147 )
VAL( 6 A-146 )
GLN( 6 A-145 )
ARG( 6 A-144 )
LEU( 6 A-143 )
LYS( 6 A-142 )
GLU( 6 A-141 )
GLU( 6 A-140 )
TYR( 6 A-139 )
GLN( 6 A-138 )
SER( 6 A-137 )
LEU( 6 A-136 )
ILE( 6 A-135 )
ARG( 6 A-134 )
TYR( 6 A-133 )
VAL( 6 A-132 )
GLU( 6 A-131 )
ASN( 6 A-130 )
ASN( 6 A-129 )
LYS( 6 A-128 )
ASN( 6 A-127 )
ALA( 6 A-126 )
ASP( 6 A-125 )
ASN( 6 A-124 )
ASP( 6 A-123 )
TRP( 6 A-122 )
PHE( 6 A-121 )
ARG( 6 A-120 )
LEU( 6 A-119 )
GLU( 6 A-118 )
SER( 6 A-117 )
ASN( 6 A-116 )
LYS( 6 A-115 )
GLU( 6 A-114 )
GLY( 6 A-113 )
THR( 6 A-112 )
ARG( 6 A-111 )
TRP( 6 A-110 )
PHE( 6 A-109 )
GLY( 6 A-108 )
LYS( 6 A-107 )
CYS( 6 A-106 )
TRP( 6 A-105 )
TYR( 6 A-104 )
ILE( 6 A-103 )
HIS( 6 A-102 )
ASP( 6 A-101 )
LEU( 6 A-100 )
LEU( 6 A -99 )
LYS( 6 A -98 )
TYR( 6 A -97 )
GLU( 6 A -96 )
PHE( 6 A -95 )
ASP( 6 A -94 )
ILE( 6 A -93 )
GLU( 6 A -92 )
PHE( 6 A -91 )
ASP( 6 A -90 )
ILE( 6 A -89 )
PRO( 6 A -88 )
ILE( 6 A -87 )
THR( 6 A -86 )
TYR( 6 A -85 )
PRO( 6 A -84 )
THR( 6 A -83 )
THR( 6 A -82 )
ALA( 6 A -81 )
PRO( 6 A -80 )
GLU( 6 A -79 )
ILE( 6 A -78 )
ALA( 6 A -77 )
VAL( 6 A -76 )
PRO( 6 A -75 )
GLU( 6 A -74 )
LEU( 6 A -73 )
ASP( 6 A -72 )
GLY( 6 A -71 )
LYS( 6 A -70 )
THR( 6 A -69 )
ALA( 6 A -68 )
LYS( 6 A -67 )
MET( 6 A -66 )
TYR( 6 A -65 )
ARG( 6 A -64 )
GLY( 6 A -63 )
GLY( 6 A -62 )
LYS( 6 A -61 )
ILE( 6 A -60 )
CYS( 6 A -59 )
LEU( 6 A -58 )
THR( 6 A -57 )
ASP( 6 A -56 )
HIS( 6 A -55 )
PHE( 6 A -54 )
LYS( 6 A -53 )
PRO( 6 A -52 )
LEU( 6 A -51 )
TRP( 6 A -50 )
ALA( 6 A -49 )
ARG( 6 A -48 )
ASN( 6 A -47 )
VAL( 6 A -46 )
PRO( 6 A -45 )
LYS( 6 A -44 )
PHE( 6 A -43 )
GLY( 6 A -42 )
LEU( 6 A -41 )
ALA( 6 A -40 )
HIS( 6 A -39 )
LEU( 6 A -38 )
MET( 6 A -37 )
ALA( 6 A -36 )
LEU( 6 A -35 )
GLY( 6 A -34 )
LEU( 6 A -33 )
GLY( 6 A -32 )
PRO( 6 A -31 )
TRP( 6 A -30 )
LEU( 6 A -29 )
ALA( 6 A -28 )
VAL( 6 A -27 )
GLU( 6 A -26 )
ILE( 6 A -25 )
PRO( 6 A -24 )
ASP( 6 A -23 )
LEU( 6 A -22 )
ILE( 6 A -21 )
GLN( 6 A -20 )
LYS( 6 A -19 )
GLY( 6 A -18 )
VAL( 6 A -17 )
ILE( 6 A -16 )
GLN( 6 A -15 )
HIS( 6 A -14 )
LYS( 6 A -13 )
GLU( 6 A -12 )
LYS( 6 A -11 )
CYS( 6 A -10 )
ASN( 6 A -9 )
GLN( 6 A -8 )
LEU( 6 A -7 )
GLU( 6 A -6 )
HIS( 6 A -5 )
HIS( 6 A -4 )
HIS( 6 A -3 )
HIS( 6 A -2 )
HIS( 6 A -1 )
HIS( 6 A 0 )
MET( 7 A-174 )
ALA( 7 A-173 )
ASP( 7 A-172 )
GLU( 7 A-171 )
ALA( 7 A-170 )
THR( 7 A-169 )
ARG( 7 A-168 )
ARG( 7 A-167 )
VAL( 7 A-166 )
VAL( 7 A-165 )
SER( 7 A-164 )
GLU( 7 A-163 )
ILE( 7 A-162 )
PRO( 7 A-161 )
VAL( 7 A-160 )
LEU( 7 A-159 )
LYS( 7 A-158 )
THR( 7 A-157 )
ASN( 7 A-156 )
ALA( 7 A-155 )
GLY( 7 A-154 )
PRO( 7 A-153 )
ARG( 7 A-152 )
ASP( 7 A-151 )
ARG( 7 A-150 )
GLU( 7 A-149 )
LEU( 7 A-148 )
TRP( 7 A-147 )
VAL( 7 A-146 )
GLN( 7 A-145 )
ARG( 7 A-144 )
LEU( 7 A-143 )
LYS( 7 A-142 )
GLU( 7 A-141 )
GLU( 7 A-140 )
TYR( 7 A-139 )
GLN( 7 A-138 )
SER( 7 A-137 )
LEU( 7 A-136 )
ILE( 7 A-135 )
ARG( 7 A-134 )
TYR( 7 A-133 )
VAL( 7 A-132 )
GLU( 7 A-131 )
ASN( 7 A-130 )
ASN( 7 A-129 )
LYS( 7 A-128 )
ASN( 7 A-127 )
ALA( 7 A-126 )
ASP( 7 A-125 )
ASN( 7 A-124 )
ASP( 7 A-123 )
TRP( 7 A-122 )
PHE( 7 A-121 )
ARG( 7 A-120 )
LEU( 7 A-119 )
GLU( 7 A-118 )
SER( 7 A-117 )
ASN( 7 A-116 )
LYS( 7 A-115 )
GLU( 7 A-114 )
GLY( 7 A-113 )
THR( 7 A-112 )
ARG( 7 A-111 )
TRP( 7 A-110 )
PHE( 7 A-109 )
GLY( 7 A-108 )
LYS( 7 A-107 )
CYS( 7 A-106 )
TRP( 7 A-105 )
TYR( 7 A-104 )
ILE( 7 A-103 )
HIS( 7 A-102 )
ASP( 7 A-101 )
LEU( 7 A-100 )
LEU( 7 A -99 )
LYS( 7 A -98 )
TYR( 7 A -97 )
GLU( 7 A -96 )
PHE( 7 A -95 )
ASP( 7 A -94 )
ILE( 7 A -93 )
GLU( 7 A -92 )
PHE( 7 A -91 )
ASP( 7 A -90 )
ILE( 7 A -89 )
PRO( 7 A -88 )
ILE( 7 A -87 )
THR( 7 A -86 )
TYR( 7 A -85 )
PRO( 7 A -84 )
THR( 7 A -83 )
THR( 7 A -82 )
ALA( 7 A -81 )
PRO( 7 A -80 )
GLU( 7 A -79 )
ILE( 7 A -78 )
ALA( 7 A -77 )
VAL( 7 A -76 )
PRO( 7 A -75 )
GLU( 7 A -74 )
LEU( 7 A -73 )
ASP( 7 A -72 )
GLY( 7 A -71 )
LYS( 7 A -70 )
THR( 7 A -69 )
ALA( 7 A -68 )
LYS( 7 A -67 )
MET( 7 A -66 )
TYR( 7 A -65 )
ARG( 7 A -64 )
GLY( 7 A -63 )
GLY( 7 A -62 )
LYS( 7 A -61 )
ILE( 7 A -60 )
CYS( 7 A -59 )
LEU( 7 A -58 )
THR( 7 A -57 )
ASP( 7 A -56 )
HIS( 7 A -55 )
PHE( 7 A -54 )
LYS( 7 A -53 )
PRO( 7 A -52 )
LEU( 7 A -51 )
TRP( 7 A -50 )
ALA( 7 A -49 )
ARG( 7 A -48 )
ASN( 7 A -47 )
VAL( 7 A -46 )
PRO( 7 A -45 )
LYS( 7 A -44 )
PHE( 7 A -43 )
GLY( 7 A -42 )
LEU( 7 A -41 )
ALA( 7 A -40 )
HIS( 7 A -39 )
LEU( 7 A -38 )
MET( 7 A -37 )
ALA( 7 A -36 )
LEU( 7 A -35 )
GLY( 7 A -34 )
LEU( 7 A -33 )
GLY( 7 A -32 )
PRO( 7 A -31 )
TRP( 7 A -30 )
LEU( 7 A -29 )
ALA( 7 A -28 )
VAL( 7 A -27 )
GLU( 7 A -26 )
ILE( 7 A -25 )
PRO( 7 A -24 )
ASP( 7 A -23 )
LEU( 7 A -22 )
ILE( 7 A -21 )
GLN( 7 A -20 )
LYS( 7 A -19 )
GLY( 7 A -18 )
VAL( 7 A -17 )
ILE( 7 A -16 )
GLN( 7 A -15 )
HIS( 7 A -14 )
LYS( 7 A -13 )
GLU( 7 A -12 )
LYS( 7 A -11 )
CYS( 7 A -10 )
ASN( 7 A -9 )
GLN( 7 A -8 )
LEU( 7 A -7 )
GLU( 7 A -6 )
HIS( 7 A -5 )
HIS( 7 A -4 )
HIS( 7 A -3 )
HIS( 7 A -2 )
HIS( 7 A -1 )
HIS( 7 A 0 )
MET( 8 A-174 )
ALA( 8 A-173 )
ASP( 8 A-172 )
GLU( 8 A-171 )
ALA( 8 A-170 )
THR( 8 A-169 )
ARG( 8 A-168 )
ARG( 8 A-167 )
VAL( 8 A-166 )
VAL( 8 A-165 )
SER( 8 A-164 )
GLU( 8 A-163 )
ILE( 8 A-162 )
PRO( 8 A-161 )
VAL( 8 A-160 )
LEU( 8 A-159 )
LYS( 8 A-158 )
THR( 8 A-157 )
ASN( 8 A-156 )
ALA( 8 A-155 )
GLY( 8 A-154 )
PRO( 8 A-153 )
ARG( 8 A-152 )
ASP( 8 A-151 )
ARG( 8 A-150 )
GLU( 8 A-149 )
LEU( 8 A-148 )
TRP( 8 A-147 )
VAL( 8 A-146 )
GLN( 8 A-145 )
ARG( 8 A-144 )
LEU( 8 A-143 )
LYS( 8 A-142 )
GLU( 8 A-141 )
GLU( 8 A-140 )
TYR( 8 A-139 )
GLN( 8 A-138 )
SER( 8 A-137 )
LEU( 8 A-136 )
ILE( 8 A-135 )
ARG( 8 A-134 )
TYR( 8 A-133 )
VAL( 8 A-132 )
GLU( 8 A-131 )
ASN( 8 A-130 )
ASN( 8 A-129 )
LYS( 8 A-128 )
ASN( 8 A-127 )
ALA( 8 A-126 )
ASP( 8 A-125 )
ASN( 8 A-124 )
ASP( 8 A-123 )
TRP( 8 A-122 )
PHE( 8 A-121 )
ARG( 8 A-120 )
LEU( 8 A-119 )
GLU( 8 A-118 )
SER( 8 A-117 )
ASN( 8 A-116 )
LYS( 8 A-115 )
GLU( 8 A-114 )
GLY( 8 A-113 )
THR( 8 A-112 )
ARG( 8 A-111 )
TRP( 8 A-110 )
PHE( 8 A-109 )
GLY( 8 A-108 )
LYS( 8 A-107 )
CYS( 8 A-106 )
TRP( 8 A-105 )
TYR( 8 A-104 )
ILE( 8 A-103 )
HIS( 8 A-102 )
ASP( 8 A-101 )
LEU( 8 A-100 )
LEU( 8 A -99 )
LYS( 8 A -98 )
TYR( 8 A -97 )
GLU( 8 A -96 )
PHE( 8 A -95 )
ASP( 8 A -94 )
ILE( 8 A -93 )
GLU( 8 A -92 )
PHE( 8 A -91 )
ASP( 8 A -90 )
ILE( 8 A -89 )
PRO( 8 A -88 )
ILE( 8 A -87 )
THR( 8 A -86 )
TYR( 8 A -85 )
PRO( 8 A -84 )
THR( 8 A -83 )
THR( 8 A -82 )
ALA( 8 A -81 )
PRO( 8 A -80 )
GLU( 8 A -79 )
ILE( 8 A -78 )
ALA( 8 A -77 )
VAL( 8 A -76 )
PRO( 8 A -75 )
GLU( 8 A -74 )
LEU( 8 A -73 )
ASP( 8 A -72 )
GLY( 8 A -71 )
LYS( 8 A -70 )
THR( 8 A -69 )
ALA( 8 A -68 )
LYS( 8 A -67 )
MET( 8 A -66 )
TYR( 8 A -65 )
ARG( 8 A -64 )
GLY( 8 A -63 )
GLY( 8 A -62 )
LYS( 8 A -61 )
ILE( 8 A -60 )
CYS( 8 A -59 )
LEU( 8 A -58 )
THR( 8 A -57 )
ASP( 8 A -56 )
HIS( 8 A -55 )
PHE( 8 A -54 )
LYS( 8 A -53 )
PRO( 8 A -52 )
LEU( 8 A -51 )
TRP( 8 A -50 )
ALA( 8 A -49 )
ARG( 8 A -48 )
ASN( 8 A -47 )
VAL( 8 A -46 )
PRO( 8 A -45 )
LYS( 8 A -44 )
PHE( 8 A -43 )
GLY( 8 A -42 )
LEU( 8 A -41 )
ALA( 8 A -40 )
HIS( 8 A -39 )
LEU( 8 A -38 )
MET( 8 A -37 )
ALA( 8 A -36 )
LEU( 8 A -35 )
GLY( 8 A -34 )
LEU( 8 A -33 )
GLY( 8 A -32 )
PRO( 8 A -31 )
TRP( 8 A -30 )
LEU( 8 A -29 )
ALA( 8 A -28 )
VAL( 8 A -27 )
GLU( 8 A -26 )
ILE( 8 A -25 )
PRO( 8 A -24 )
ASP( 8 A -23 )
LEU( 8 A -22 )
ILE( 8 A -21 )
GLN( 8 A -20 )
LYS( 8 A -19 )
GLY( 8 A -18 )
VAL( 8 A -17 )
ILE( 8 A -16 )
GLN( 8 A -15 )
HIS( 8 A -14 )
LYS( 8 A -13 )
GLU( 8 A -12 )
LYS( 8 A -11 )
CYS( 8 A -10 )
ASN( 8 A -9 )
GLN( 8 A -8 )
LEU( 8 A -7 )
GLU( 8 A -6 )
HIS( 8 A -5 )
HIS( 8 A -4 )
HIS( 8 A -3 )
HIS( 8 A -2 )
HIS( 8 A -1 )
HIS( 8 A 0 )
MET( 9 A-174 )
ALA( 9 A-173 )
ASP( 9 A-172 )
GLU( 9 A-171 )
ALA( 9 A-170 )
THR( 9 A-169 )
ARG( 9 A-168 )
ARG( 9 A-167 )
VAL( 9 A-166 )
VAL( 9 A-165 )
SER( 9 A-164 )
GLU( 9 A-163 )
ILE( 9 A-162 )
PRO( 9 A-161 )
VAL( 9 A-160 )
LEU( 9 A-159 )
LYS( 9 A-158 )
THR( 9 A-157 )
ASN( 9 A-156 )
ALA( 9 A-155 )
GLY( 9 A-154 )
PRO( 9 A-153 )
ARG( 9 A-152 )
ASP( 9 A-151 )
ARG( 9 A-150 )
GLU( 9 A-149 )
LEU( 9 A-148 )
TRP( 9 A-147 )
VAL( 9 A-146 )
GLN( 9 A-145 )
ARG( 9 A-144 )
LEU( 9 A-143 )
LYS( 9 A-142 )
GLU( 9 A-141 )
GLU( 9 A-140 )
TYR( 9 A-139 )
GLN( 9 A-138 )
SER( 9 A-137 )
LEU( 9 A-136 )
ILE( 9 A-135 )
ARG( 9 A-134 )
TYR( 9 A-133 )
VAL( 9 A-132 )
GLU( 9 A-131 )
ASN( 9 A-130 )
ASN( 9 A-129 )
LYS( 9 A-128 )
ASN( 9 A-127 )
ALA( 9 A-126 )
ASP( 9 A-125 )
ASN( 9 A-124 )
ASP( 9 A-123 )
TRP( 9 A-122 )
PHE( 9 A-121 )
ARG( 9 A-120 )
LEU( 9 A-119 )
GLU( 9 A-118 )
SER( 9 A-117 )
ASN( 9 A-116 )
LYS( 9 A-115 )
GLU( 9 A-114 )
GLY( 9 A-113 )
THR( 9 A-112 )
ARG( 9 A-111 )
TRP( 9 A-110 )
PHE( 9 A-109 )
GLY( 9 A-108 )
LYS( 9 A-107 )
CYS( 9 A-106 )
TRP( 9 A-105 )
TYR( 9 A-104 )
ILE( 9 A-103 )
HIS( 9 A-102 )
ASP( 9 A-101 )
LEU( 9 A-100 )
LEU( 9 A -99 )
LYS( 9 A -98 )
TYR( 9 A -97 )
GLU( 9 A -96 )
PHE( 9 A -95 )
ASP( 9 A -94 )
ILE( 9 A -93 )
GLU( 9 A -92 )
PHE( 9 A -91 )
ASP( 9 A -90 )
ILE( 9 A -89 )
PRO( 9 A -88 )
ILE( 9 A -87 )
THR( 9 A -86 )
TYR( 9 A -85 )
PRO( 9 A -84 )
THR( 9 A -83 )
THR( 9 A -82 )
ALA( 9 A -81 )
PRO( 9 A -80 )
GLU( 9 A -79 )
ILE( 9 A -78 )
ALA( 9 A -77 )
VAL( 9 A -76 )
PRO( 9 A -75 )
GLU( 9 A -74 )
LEU( 9 A -73 )
ASP( 9 A -72 )
GLY( 9 A -71 )
LYS( 9 A -70 )
THR( 9 A -69 )
ALA( 9 A -68 )
LYS( 9 A -67 )
MET( 9 A -66 )
TYR( 9 A -65 )
ARG( 9 A -64 )
GLY( 9 A -63 )
GLY( 9 A -62 )
LYS( 9 A -61 )
ILE( 9 A -60 )
CYS( 9 A -59 )
LEU( 9 A -58 )
THR( 9 A -57 )
ASP( 9 A -56 )
HIS( 9 A -55 )
PHE( 9 A -54 )
LYS( 9 A -53 )
PRO( 9 A -52 )
LEU( 9 A -51 )
TRP( 9 A -50 )
ALA( 9 A -49 )
ARG( 9 A -48 )
ASN( 9 A -47 )
VAL( 9 A -46 )
PRO( 9 A -45 )
LYS( 9 A -44 )
PHE( 9 A -43 )
GLY( 9 A -42 )
LEU( 9 A -41 )
ALA( 9 A -40 )
HIS( 9 A -39 )
LEU( 9 A -38 )
MET( 9 A -37 )
ALA( 9 A -36 )
LEU( 9 A -35 )
GLY( 9 A -34 )
LEU( 9 A -33 )
GLY( 9 A -32 )
PRO( 9 A -31 )
TRP( 9 A -30 )
LEU( 9 A -29 )
ALA( 9 A -28 )
VAL( 9 A -27 )
GLU( 9 A -26 )
ILE( 9 A -25 )
PRO( 9 A -24 )
ASP( 9 A -23 )
LEU( 9 A -22 )
ILE( 9 A -21 )
GLN( 9 A -20 )
LYS( 9 A -19 )
GLY( 9 A -18 )
VAL( 9 A -17 )
ILE( 9 A -16 )
GLN( 9 A -15 )
HIS( 9 A -14 )
LYS( 9 A -13 )
GLU( 9 A -12 )
LYS( 9 A -11 )
CYS( 9 A -10 )
ASN( 9 A -9 )
GLN( 9 A -8 )
LEU( 9 A -7 )
GLU( 9 A -6 )
HIS( 9 A -5 )
HIS( 9 A -4 )
HIS( 9 A -3 )
HIS( 9 A -2 )
HIS( 9 A -1 )
HIS( 9 A 0 )
MET( 10 A-174 )
ALA( 10 A-173 )
ASP( 10 A-172 )
GLU( 10 A-171 )
ALA( 10 A-170 )
THR( 10 A-169 )
ARG( 10 A-168 )
ARG( 10 A-167 )
VAL( 10 A-166 )
VAL( 10 A-165 )
SER( 10 A-164 )
GLU( 10 A-163 )
ILE( 10 A-162 )
PRO( 10 A-161 )
VAL( 10 A-160 )
LEU( 10 A-159 )
LYS( 10 A-158 )
THR( 10 A-157 )
ASN( 10 A-156 )
ALA( 10 A-155 )
GLY( 10 A-154 )
PRO( 10 A-153 )
ARG( 10 A-152 )
ASP( 10 A-151 )
ARG( 10 A-150 )
GLU( 10 A-149 )
LEU( 10 A-148 )
TRP( 10 A-147 )
VAL( 10 A-146 )
GLN( 10 A-145 )
ARG( 10 A-144 )
LEU( 10 A-143 )
LYS( 10 A-142 )
GLU( 10 A-141 )
GLU( 10 A-140 )
TYR( 10 A-139 )
GLN( 10 A-138 )
SER( 10 A-137 )
LEU( 10 A-136 )
ILE( 10 A-135 )
ARG( 10 A-134 )
TYR( 10 A-133 )
VAL( 10 A-132 )
GLU( 10 A-131 )
ASN( 10 A-130 )
ASN( 10 A-129 )
LYS( 10 A-128 )
ASN( 10 A-127 )
ALA( 10 A-126 )
ASP( 10 A-125 )
ASN( 10 A-124 )
ASP( 10 A-123 )
TRP( 10 A-122 )
PHE( 10 A-121 )
ARG( 10 A-120 )
LEU( 10 A-119 )
GLU( 10 A-118 )
SER( 10 A-117 )
ASN( 10 A-116 )
LYS( 10 A-115 )
GLU( 10 A-114 )
GLY( 10 A-113 )
THR( 10 A-112 )
ARG( 10 A-111 )
TRP( 10 A-110 )
PHE( 10 A-109 )
GLY( 10 A-108 )
LYS( 10 A-107 )
CYS( 10 A-106 )
TRP( 10 A-105 )
TYR( 10 A-104 )
ILE( 10 A-103 )
HIS( 10 A-102 )
ASP( 10 A-101 )
LEU( 10 A-100 )
LEU( 10 A -99 )
LYS( 10 A -98 )
TYR( 10 A -97 )
GLU( 10 A -96 )
PHE( 10 A -95 )
ASP( 10 A -94 )
ILE( 10 A -93 )
GLU( 10 A -92 )
PHE( 10 A -91 )
ASP( 10 A -90 )
ILE( 10 A -89 )
PRO( 10 A -88 )
ILE( 10 A -87 )
THR( 10 A -86 )
TYR( 10 A -85 )
PRO( 10 A -84 )
THR( 10 A -83 )
THR( 10 A -82 )
ALA( 10 A -81 )
PRO( 10 A -80 )
GLU( 10 A -79 )
ILE( 10 A -78 )
ALA( 10 A -77 )
VAL( 10 A -76 )
PRO( 10 A -75 )
GLU( 10 A -74 )
LEU( 10 A -73 )
ASP( 10 A -72 )
GLY( 10 A -71 )
LYS( 10 A -70 )
THR( 10 A -69 )
ALA( 10 A -68 )
LYS( 10 A -67 )
MET( 10 A -66 )
TYR( 10 A -65 )
ARG( 10 A -64 )
GLY( 10 A -63 )
GLY( 10 A -62 )
LYS( 10 A -61 )
ILE( 10 A -60 )
CYS( 10 A -59 )
LEU( 10 A -58 )
THR( 10 A -57 )
ASP( 10 A -56 )
HIS( 10 A -55 )
PHE( 10 A -54 )
LYS( 10 A -53 )
PRO( 10 A -52 )
LEU( 10 A -51 )
TRP( 10 A -50 )
ALA( 10 A -49 )
ARG( 10 A -48 )
ASN( 10 A -47 )
VAL( 10 A -46 )
PRO( 10 A -45 )
LYS( 10 A -44 )
PHE( 10 A -43 )
GLY( 10 A -42 )
LEU( 10 A -41 )
ALA( 10 A -40 )
HIS( 10 A -39 )
LEU( 10 A -38 )
MET( 10 A -37 )
ALA( 10 A -36 )
LEU( 10 A -35 )
GLY( 10 A -34 )
LEU( 10 A -33 )
GLY( 10 A -32 )
PRO( 10 A -31 )
TRP( 10 A -30 )
LEU( 10 A -29 )
ALA( 10 A -28 )
VAL( 10 A -27 )
GLU( 10 A -26 )
ILE( 10 A -25 )
PRO( 10 A -24 )
ASP( 10 A -23 )
LEU( 10 A -22 )
ILE( 10 A -21 )
GLN( 10 A -20 )
LYS( 10 A -19 )
GLY( 10 A -18 )
VAL( 10 A -17 )
ILE( 10 A -16 )
GLN( 10 A -15 )
HIS( 10 A -14 )
LYS( 10 A -13 )
GLU( 10 A -12 )
LYS( 10 A -11 )
CYS( 10 A -10 )
ASN( 10 A -9 )
GLN( 10 A -8 )
LEU( 10 A -7 )
GLU( 10 A -6 )
HIS( 10 A -5 )
HIS( 10 A -4 )
HIS( 10 A -3 )
HIS( 10 A -2 )
HIS( 10 A -1 )
HIS( 10 A 0 )
MET( 11 A-174 )
ALA( 11 A-173 )
ASP( 11 A-172 )
GLU( 11 A-171 )
ALA( 11 A-170 )
THR( 11 A-169 )
ARG( 11 A-168 )
ARG( 11 A-167 )
VAL( 11 A-166 )
VAL( 11 A-165 )
SER( 11 A-164 )
GLU( 11 A-163 )
ILE( 11 A-162 )
PRO( 11 A-161 )
VAL( 11 A-160 )
LEU( 11 A-159 )
LYS( 11 A-158 )
THR( 11 A-157 )
ASN( 11 A-156 )
ALA( 11 A-155 )
GLY( 11 A-154 )
PRO( 11 A-153 )
ARG( 11 A-152 )
ASP( 11 A-151 )
ARG( 11 A-150 )
GLU( 11 A-149 )
LEU( 11 A-148 )
TRP( 11 A-147 )
VAL( 11 A-146 )
GLN( 11 A-145 )
ARG( 11 A-144 )
LEU( 11 A-143 )
LYS( 11 A-142 )
GLU( 11 A-141 )
GLU( 11 A-140 )
TYR( 11 A-139 )
GLN( 11 A-138 )
SER( 11 A-137 )
LEU( 11 A-136 )
ILE( 11 A-135 )
ARG( 11 A-134 )
TYR( 11 A-133 )
VAL( 11 A-132 )
GLU( 11 A-131 )
ASN( 11 A-130 )
ASN( 11 A-129 )
LYS( 11 A-128 )
ASN( 11 A-127 )
ALA( 11 A-126 )
ASP( 11 A-125 )
ASN( 11 A-124 )
ASP( 11 A-123 )
TRP( 11 A-122 )
PHE( 11 A-121 )
ARG( 11 A-120 )
LEU( 11 A-119 )
GLU( 11 A-118 )
SER( 11 A-117 )
ASN( 11 A-116 )
LYS( 11 A-115 )
GLU( 11 A-114 )
GLY( 11 A-113 )
THR( 11 A-112 )
ARG( 11 A-111 )
TRP( 11 A-110 )
PHE( 11 A-109 )
GLY( 11 A-108 )
LYS( 11 A-107 )
CYS( 11 A-106 )
TRP( 11 A-105 )
TYR( 11 A-104 )
ILE( 11 A-103 )
HIS( 11 A-102 )
ASP( 11 A-101 )
LEU( 11 A-100 )
LEU( 11 A -99 )
LYS( 11 A -98 )
TYR( 11 A -97 )
GLU( 11 A -96 )
PHE( 11 A -95 )
ASP( 11 A -94 )
ILE( 11 A -93 )
GLU( 11 A -92 )
PHE( 11 A -91 )
ASP( 11 A -90 )
ILE( 11 A -89 )
PRO( 11 A -88 )
ILE( 11 A -87 )
THR( 11 A -86 )
TYR( 11 A -85 )
PRO( 11 A -84 )
THR( 11 A -83 )
THR( 11 A -82 )
ALA( 11 A -81 )
PRO( 11 A -80 )
GLU( 11 A -79 )
ILE( 11 A -78 )
ALA( 11 A -77 )
VAL( 11 A -76 )
PRO( 11 A -75 )
GLU( 11 A -74 )
LEU( 11 A -73 )
ASP( 11 A -72 )
GLY( 11 A -71 )
LYS( 11 A -70 )
THR( 11 A -69 )
ALA( 11 A -68 )
LYS( 11 A -67 )
MET( 11 A -66 )
TYR( 11 A -65 )
ARG( 11 A -64 )
GLY( 11 A -63 )
GLY( 11 A -62 )
LYS( 11 A -61 )
ILE( 11 A -60 )
CYS( 11 A -59 )
LEU( 11 A -58 )
THR( 11 A -57 )
ASP( 11 A -56 )
HIS( 11 A -55 )
PHE( 11 A -54 )
LYS( 11 A -53 )
PRO( 11 A -52 )
LEU( 11 A -51 )
TRP( 11 A -50 )
ALA( 11 A -49 )
ARG( 11 A -48 )
ASN( 11 A -47 )
VAL( 11 A -46 )
PRO( 11 A -45 )
LYS( 11 A -44 )
PHE( 11 A -43 )
GLY( 11 A -42 )
LEU( 11 A -41 )
ALA( 11 A -40 )
HIS( 11 A -39 )
LEU( 11 A -38 )
MET( 11 A -37 )
ALA( 11 A -36 )
LEU( 11 A -35 )
GLY( 11 A -34 )
LEU( 11 A -33 )
GLY( 11 A -32 )
PRO( 11 A -31 )
TRP( 11 A -30 )
LEU( 11 A -29 )
ALA( 11 A -28 )
VAL( 11 A -27 )
GLU( 11 A -26 )
ILE( 11 A -25 )
PRO( 11 A -24 )
ASP( 11 A -23 )
LEU( 11 A -22 )
ILE( 11 A -21 )
GLN( 11 A -20 )
LYS( 11 A -19 )
GLY( 11 A -18 )
VAL( 11 A -17 )
ILE( 11 A -16 )
GLN( 11 A -15 )
HIS( 11 A -14 )
LYS( 11 A -13 )
GLU( 11 A -12 )
LYS( 11 A -11 )
CYS( 11 A -10 )
ASN( 11 A -9 )
GLN( 11 A -8 )
LEU( 11 A -7 )
GLU( 11 A -6 )
HIS( 11 A -5 )
HIS( 11 A -4 )
HIS( 11 A -3 )
HIS( 11 A -2 )
HIS( 11 A -1 )
HIS( 11 A 0 )
MET( 12 A-174 )
ALA( 12 A-173 )
ASP( 12 A-172 )
GLU( 12 A-171 )
ALA( 12 A-170 )
THR( 12 A-169 )
ARG( 12 A-168 )
ARG( 12 A-167 )
VAL( 12 A-166 )
VAL( 12 A-165 )
SER( 12 A-164 )
GLU( 12 A-163 )
ILE( 12 A-162 )
PRO( 12 A-161 )
VAL( 12 A-160 )
LEU( 12 A-159 )
LYS( 12 A-158 )
THR( 12 A-157 )
ASN( 12 A-156 )
ALA( 12 A-155 )
GLY( 12 A-154 )
PRO( 12 A-153 )
ARG( 12 A-152 )
ASP( 12 A-151 )
ARG( 12 A-150 )
GLU( 12 A-149 )
LEU( 12 A-148 )
TRP( 12 A-147 )
VAL( 12 A-146 )
GLN( 12 A-145 )
ARG( 12 A-144 )
LEU( 12 A-143 )
LYS( 12 A-142 )
GLU( 12 A-141 )
GLU( 12 A-140 )
TYR( 12 A-139 )
GLN( 12 A-138 )
SER( 12 A-137 )
LEU( 12 A-136 )
ILE( 12 A-135 )
ARG( 12 A-134 )
TYR( 12 A-133 )
VAL( 12 A-132 )
GLU( 12 A-131 )
ASN( 12 A-130 )
ASN( 12 A-129 )
LYS( 12 A-128 )
ASN( 12 A-127 )
ALA( 12 A-126 )
ASP( 12 A-125 )
ASN( 12 A-124 )
ASP( 12 A-123 )
TRP( 12 A-122 )
PHE( 12 A-121 )
ARG( 12 A-120 )
LEU( 12 A-119 )
GLU( 12 A-118 )
SER( 12 A-117 )
ASN( 12 A-116 )
LYS( 12 A-115 )
GLU( 12 A-114 )
GLY( 12 A-113 )
THR( 12 A-112 )
ARG( 12 A-111 )
TRP( 12 A-110 )
PHE( 12 A-109 )
GLY( 12 A-108 )
LYS( 12 A-107 )
CYS( 12 A-106 )
TRP( 12 A-105 )
TYR( 12 A-104 )
ILE( 12 A-103 )
HIS( 12 A-102 )
ASP( 12 A-101 )
LEU( 12 A-100 )
LEU( 12 A -99 )
LYS( 12 A -98 )
TYR( 12 A -97 )
GLU( 12 A -96 )
PHE( 12 A -95 )
ASP( 12 A -94 )
ILE( 12 A -93 )
GLU( 12 A -92 )
PHE( 12 A -91 )
ASP( 12 A -90 )
ILE( 12 A -89 )
PRO( 12 A -88 )
ILE( 12 A -87 )
THR( 12 A -86 )
TYR( 12 A -85 )
PRO( 12 A -84 )
THR( 12 A -83 )
THR( 12 A -82 )
ALA( 12 A -81 )
PRO( 12 A -80 )
GLU( 12 A -79 )
ILE( 12 A -78 )
ALA( 12 A -77 )
VAL( 12 A -76 )
PRO( 12 A -75 )
GLU( 12 A -74 )
LEU( 12 A -73 )
ASP( 12 A -72 )
GLY( 12 A -71 )
LYS( 12 A -70 )
THR( 12 A -69 )
ALA( 12 A -68 )
LYS( 12 A -67 )
MET( 12 A -66 )
TYR( 12 A -65 )
ARG( 12 A -64 )
GLY( 12 A -63 )
GLY( 12 A -62 )
LYS( 12 A -61 )
ILE( 12 A -60 )
CYS( 12 A -59 )
LEU( 12 A -58 )
THR( 12 A -57 )
ASP( 12 A -56 )
HIS( 12 A -55 )
PHE( 12 A -54 )
LYS( 12 A -53 )
PRO( 12 A -52 )
LEU( 12 A -51 )
TRP( 12 A -50 )
ALA( 12 A -49 )
ARG( 12 A -48 )
ASN( 12 A -47 )
VAL( 12 A -46 )
PRO( 12 A -45 )
LYS( 12 A -44 )
PHE( 12 A -43 )
GLY( 12 A -42 )
LEU( 12 A -41 )
ALA( 12 A -40 )
HIS( 12 A -39 )
LEU( 12 A -38 )
MET( 12 A -37 )
ALA( 12 A -36 )
LEU( 12 A -35 )
GLY( 12 A -34 )
LEU( 12 A -33 )
GLY( 12 A -32 )
PRO( 12 A -31 )
TRP( 12 A -30 )
LEU( 12 A -29 )
ALA( 12 A -28 )
VAL( 12 A -27 )
GLU( 12 A -26 )
ILE( 12 A -25 )
PRO( 12 A -24 )
ASP( 12 A -23 )
LEU( 12 A -22 )
ILE( 12 A -21 )
GLN( 12 A -20 )
LYS( 12 A -19 )
GLY( 12 A -18 )
VAL( 12 A -17 )
ILE( 12 A -16 )
GLN( 12 A -15 )
HIS( 12 A -14 )
LYS( 12 A -13 )
GLU( 12 A -12 )
LYS( 12 A -11 )
CYS( 12 A -10 )
ASN( 12 A -9 )
GLN( 12 A -8 )
LEU( 12 A -7 )
GLU( 12 A -6 )
HIS( 12 A -5 )
HIS( 12 A -4 )
HIS( 12 A -3 )
HIS( 12 A -2 )
HIS( 12 A -1 )
HIS( 12 A 0 )
MET( 13 A-174 )
ALA( 13 A-173 )
ASP( 13 A-172 )
GLU( 13 A-171 )
ALA( 13 A-170 )
THR( 13 A-169 )
ARG( 13 A-168 )
ARG( 13 A-167 )
VAL( 13 A-166 )
VAL( 13 A-165 )
SER( 13 A-164 )
GLU( 13 A-163 )
ILE( 13 A-162 )
PRO( 13 A-161 )
VAL( 13 A-160 )
LEU( 13 A-159 )
LYS( 13 A-158 )
THR( 13 A-157 )
ASN( 13 A-156 )
ALA( 13 A-155 )
GLY( 13 A-154 )
PRO( 13 A-153 )
ARG( 13 A-152 )
ASP( 13 A-151 )
ARG( 13 A-150 )
GLU( 13 A-149 )
LEU( 13 A-148 )
TRP( 13 A-147 )
VAL( 13 A-146 )
GLN( 13 A-145 )
ARG( 13 A-144 )
LEU( 13 A-143 )
LYS( 13 A-142 )
GLU( 13 A-141 )
GLU( 13 A-140 )
TYR( 13 A-139 )
GLN( 13 A-138 )
SER( 13 A-137 )
LEU( 13 A-136 )
ILE( 13 A-135 )
ARG( 13 A-134 )
TYR( 13 A-133 )
VAL( 13 A-132 )
GLU( 13 A-131 )
ASN( 13 A-130 )
ASN( 13 A-129 )
LYS( 13 A-128 )
ASN( 13 A-127 )
ALA( 13 A-126 )
ASP( 13 A-125 )
ASN( 13 A-124 )
ASP( 13 A-123 )
TRP( 13 A-122 )
PHE( 13 A-121 )
ARG( 13 A-120 )
LEU( 13 A-119 )
GLU( 13 A-118 )
SER( 13 A-117 )
ASN( 13 A-116 )
LYS( 13 A-115 )
GLU( 13 A-114 )
GLY( 13 A-113 )
THR( 13 A-112 )
ARG( 13 A-111 )
TRP( 13 A-110 )
PHE( 13 A-109 )
GLY( 13 A-108 )
LYS( 13 A-107 )
CYS( 13 A-106 )
TRP( 13 A-105 )
TYR( 13 A-104 )
ILE( 13 A-103 )
HIS( 13 A-102 )
ASP( 13 A-101 )
LEU( 13 A-100 )
LEU( 13 A -99 )
LYS( 13 A -98 )
TYR( 13 A -97 )
GLU( 13 A -96 )
PHE( 13 A -95 )
ASP( 13 A -94 )
ILE( 13 A -93 )
GLU( 13 A -92 )
PHE( 13 A -91 )
ASP( 13 A -90 )
ILE( 13 A -89 )
PRO( 13 A -88 )
ILE( 13 A -87 )
THR( 13 A -86 )
TYR( 13 A -85 )
PRO( 13 A -84 )
THR( 13 A -83 )
THR( 13 A -82 )
ALA( 13 A -81 )
PRO( 13 A -80 )
GLU( 13 A -79 )
ILE( 13 A -78 )
ALA( 13 A -77 )
VAL( 13 A -76 )
PRO( 13 A -75 )
GLU( 13 A -74 )
LEU( 13 A -73 )
ASP( 13 A -72 )
GLY( 13 A -71 )
LYS( 13 A -70 )
THR( 13 A -69 )
ALA( 13 A -68 )
LYS( 13 A -67 )
MET( 13 A -66 )
TYR( 13 A -65 )
ARG( 13 A -64 )
GLY( 13 A -63 )
GLY( 13 A -62 )
LYS( 13 A -61 )
ILE( 13 A -60 )
CYS( 13 A -59 )
LEU( 13 A -58 )
THR( 13 A -57 )
ASP( 13 A -56 )
HIS( 13 A -55 )
PHE( 13 A -54 )
LYS( 13 A -53 )
PRO( 13 A -52 )
LEU( 13 A -51 )
TRP( 13 A -50 )
ALA( 13 A -49 )
ARG( 13 A -48 )
ASN( 13 A -47 )
VAL( 13 A -46 )
PRO( 13 A -45 )
LYS( 13 A -44 )
PHE( 13 A -43 )
GLY( 13 A -42 )
LEU( 13 A -41 )
ALA( 13 A -40 )
HIS( 13 A -39 )
LEU( 13 A -38 )
MET( 13 A -37 )
ALA( 13 A -36 )
LEU( 13 A -35 )
GLY( 13 A -34 )
LEU( 13 A -33 )
GLY( 13 A -32 )
PRO( 13 A -31 )
TRP( 13 A -30 )
LEU( 13 A -29 )
ALA( 13 A -28 )
VAL( 13 A -27 )
GLU( 13 A -26 )
ILE( 13 A -25 )
PRO( 13 A -24 )
ASP( 13 A -23 )
LEU( 13 A -22 )
ILE( 13 A -21 )
GLN( 13 A -20 )
LYS( 13 A -19 )
GLY( 13 A -18 )
VAL( 13 A -17 )
ILE( 13 A -16 )
GLN( 13 A -15 )
HIS( 13 A -14 )
LYS( 13 A -13 )
GLU( 13 A -12 )
LYS( 13 A -11 )
CYS( 13 A -10 )
ASN( 13 A -9 )
GLN( 13 A -8 )
LEU( 13 A -7 )
GLU( 13 A -6 )
HIS( 13 A -5 )
HIS( 13 A -4 )
HIS( 13 A -3 )
HIS( 13 A -2 )
HIS( 13 A -1 )
HIS( 13 A 0 )
MET( 14 A-174 )
ALA( 14 A-173 )
ASP( 14 A-172 )
GLU( 14 A-171 )
ALA( 14 A-170 )
THR( 14 A-169 )
ARG( 14 A-168 )
ARG( 14 A-167 )
VAL( 14 A-166 )
VAL( 14 A-165 )
SER( 14 A-164 )
GLU( 14 A-163 )
ILE( 14 A-162 )
PRO( 14 A-161 )
VAL( 14 A-160 )
LEU( 14 A-159 )
LYS( 14 A-158 )
THR( 14 A-157 )
ASN( 14 A-156 )
ALA( 14 A-155 )
GLY( 14 A-154 )
PRO( 14 A-153 )
ARG( 14 A-152 )
ASP( 14 A-151 )
ARG( 14 A-150 )
GLU( 14 A-149 )
LEU( 14 A-148 )
TRP( 14 A-147 )
VAL( 14 A-146 )
GLN( 14 A-145 )
ARG( 14 A-144 )
LEU( 14 A-143 )
LYS( 14 A-142 )
GLU( 14 A-141 )
GLU( 14 A-140 )
TYR( 14 A-139 )
GLN( 14 A-138 )
SER( 14 A-137 )
LEU( 14 A-136 )
ILE( 14 A-135 )
ARG( 14 A-134 )
TYR( 14 A-133 )
VAL( 14 A-132 )
GLU( 14 A-131 )
ASN( 14 A-130 )
ASN( 14 A-129 )
LYS( 14 A-128 )
ASN( 14 A-127 )
ALA( 14 A-126 )
ASP( 14 A-125 )
ASN( 14 A-124 )
ASP( 14 A-123 )
TRP( 14 A-122 )
PHE( 14 A-121 )
ARG( 14 A-120 )
LEU( 14 A-119 )
GLU( 14 A-118 )
SER( 14 A-117 )
ASN( 14 A-116 )
LYS( 14 A-115 )
GLU( 14 A-114 )
GLY( 14 A-113 )
THR( 14 A-112 )
ARG( 14 A-111 )
TRP( 14 A-110 )
PHE( 14 A-109 )
GLY( 14 A-108 )
LYS( 14 A-107 )
CYS( 14 A-106 )
TRP( 14 A-105 )
TYR( 14 A-104 )
ILE( 14 A-103 )
HIS( 14 A-102 )
ASP( 14 A-101 )
LEU( 14 A-100 )
LEU( 14 A -99 )
LYS( 14 A -98 )
TYR( 14 A -97 )
GLU( 14 A -96 )
PHE( 14 A -95 )
ASP( 14 A -94 )
ILE( 14 A -93 )
GLU( 14 A -92 )
PHE( 14 A -91 )
ASP( 14 A -90 )
ILE( 14 A -89 )
PRO( 14 A -88 )
ILE( 14 A -87 )
THR( 14 A -86 )
TYR( 14 A -85 )
PRO( 14 A -84 )
THR( 14 A -83 )
THR( 14 A -82 )
ALA( 14 A -81 )
PRO( 14 A -80 )
GLU( 14 A -79 )
ILE( 14 A -78 )
ALA( 14 A -77 )
VAL( 14 A -76 )
PRO( 14 A -75 )
GLU( 14 A -74 )
LEU( 14 A -73 )
ASP( 14 A -72 )
GLY( 14 A -71 )
LYS( 14 A -70 )
THR( 14 A -69 )
ALA( 14 A -68 )
LYS( 14 A -67 )
MET( 14 A -66 )
TYR( 14 A -65 )
ARG( 14 A -64 )
GLY( 14 A -63 )
GLY( 14 A -62 )
LYS( 14 A -61 )
ILE( 14 A -60 )
CYS( 14 A -59 )
LEU( 14 A -58 )
THR( 14 A -57 )
ASP( 14 A -56 )
HIS( 14 A -55 )
PHE( 14 A -54 )
LYS( 14 A -53 )
PRO( 14 A -52 )
LEU( 14 A -51 )
TRP( 14 A -50 )
ALA( 14 A -49 )
ARG( 14 A -48 )
ASN( 14 A -47 )
VAL( 14 A -46 )
PRO( 14 A -45 )
LYS( 14 A -44 )
PHE( 14 A -43 )
GLY( 14 A -42 )
LEU( 14 A -41 )
ALA( 14 A -40 )
HIS( 14 A -39 )
LEU( 14 A -38 )
MET( 14 A -37 )
ALA( 14 A -36 )
LEU( 14 A -35 )
GLY( 14 A -34 )
LEU( 14 A -33 )
GLY( 14 A -32 )
PRO( 14 A -31 )
TRP( 14 A -30 )
LEU( 14 A -29 )
ALA( 14 A -28 )
VAL( 14 A -27 )
GLU( 14 A -26 )
ILE( 14 A -25 )
PRO( 14 A -24 )
ASP( 14 A -23 )
LEU( 14 A -22 )
ILE( 14 A -21 )
GLN( 14 A -20 )
LYS( 14 A -19 )
GLY( 14 A -18 )
VAL( 14 A -17 )
ILE( 14 A -16 )
GLN( 14 A -15 )
HIS( 14 A -14 )
LYS( 14 A -13 )
GLU( 14 A -12 )
LYS( 14 A -11 )
CYS( 14 A -10 )
ASN( 14 A -9 )
GLN( 14 A -8 )
LEU( 14 A -7 )
GLU( 14 A -6 )
HIS( 14 A -5 )
HIS( 14 A -4 )
HIS( 14 A -3 )
HIS( 14 A -2 )
HIS( 14 A -1 )
HIS( 14 A 0 )
MET( 15 A-174 )
ALA( 15 A-173 )
ASP( 15 A-172 )
GLU( 15 A-171 )
ALA( 15 A-170 )
THR( 15 A-169 )
ARG( 15 A-168 )
ARG( 15 A-167 )
VAL( 15 A-166 )
VAL( 15 A-165 )
SER( 15 A-164 )
GLU( 15 A-163 )
ILE( 15 A-162 )
PRO( 15 A-161 )
VAL( 15 A-160 )
LEU( 15 A-159 )
LYS( 15 A-158 )
THR( 15 A-157 )
ASN( 15 A-156 )
ALA( 15 A-155 )
GLY( 15 A-154 )
PRO( 15 A-153 )
ARG( 15 A-152 )
ASP( 15 A-151 )
ARG( 15 A-150 )
GLU( 15 A-149 )
LEU( 15 A-148 )
TRP( 15 A-147 )
VAL( 15 A-146 )
GLN( 15 A-145 )
ARG( 15 A-144 )
LEU( 15 A-143 )
LYS( 15 A-142 )
GLU( 15 A-141 )
GLU( 15 A-140 )
TYR( 15 A-139 )
GLN( 15 A-138 )
SER( 15 A-137 )
LEU( 15 A-136 )
ILE( 15 A-135 )
ARG( 15 A-134 )
TYR( 15 A-133 )
VAL( 15 A-132 )
GLU( 15 A-131 )
ASN( 15 A-130 )
ASN( 15 A-129 )
LYS( 15 A-128 )
ASN( 15 A-127 )
ALA( 15 A-126 )
ASP( 15 A-125 )
ASN( 15 A-124 )
ASP( 15 A-123 )
TRP( 15 A-122 )
PHE( 15 A-121 )
ARG( 15 A-120 )
LEU( 15 A-119 )
GLU( 15 A-118 )
SER( 15 A-117 )
ASN( 15 A-116 )
LYS( 15 A-115 )
GLU( 15 A-114 )
GLY( 15 A-113 )
THR( 15 A-112 )
ARG( 15 A-111 )
TRP( 15 A-110 )
PHE( 15 A-109 )
GLY( 15 A-108 )
LYS( 15 A-107 )
CYS( 15 A-106 )
TRP( 15 A-105 )
TYR( 15 A-104 )
ILE( 15 A-103 )
HIS( 15 A-102 )
ASP( 15 A-101 )
LEU( 15 A-100 )
LEU( 15 A -99 )
LYS( 15 A -98 )
TYR( 15 A -97 )
GLU( 15 A -96 )
PHE( 15 A -95 )
ASP( 15 A -94 )
ILE( 15 A -93 )
GLU( 15 A -92 )
PHE( 15 A -91 )
ASP( 15 A -90 )
ILE( 15 A -89 )
PRO( 15 A -88 )
ILE( 15 A -87 )
THR( 15 A -86 )
TYR( 15 A -85 )
PRO( 15 A -84 )
THR( 15 A -83 )
THR( 15 A -82 )
ALA( 15 A -81 )
PRO( 15 A -80 )
GLU( 15 A -79 )
ILE( 15 A -78 )
ALA( 15 A -77 )
VAL( 15 A -76 )
PRO( 15 A -75 )
GLU( 15 A -74 )
LEU( 15 A -73 )
ASP( 15 A -72 )
GLY( 15 A -71 )
LYS( 15 A -70 )
THR( 15 A -69 )
ALA( 15 A -68 )
LYS( 15 A -67 )
MET( 15 A -66 )
TYR( 15 A -65 )
ARG( 15 A -64 )
GLY( 15 A -63 )
GLY( 15 A -62 )
LYS( 15 A -61 )
ILE( 15 A -60 )
CYS( 15 A -59 )
LEU( 15 A -58 )
THR( 15 A -57 )
ASP( 15 A -56 )
HIS( 15 A -55 )
PHE( 15 A -54 )
LYS( 15 A -53 )
PRO( 15 A -52 )
LEU( 15 A -51 )
TRP( 15 A -50 )
ALA( 15 A -49 )
ARG( 15 A -48 )
ASN( 15 A -47 )
VAL( 15 A -46 )
PRO( 15 A -45 )
LYS( 15 A -44 )
PHE( 15 A -43 )
GLY( 15 A -42 )
LEU( 15 A -41 )
ALA( 15 A -40 )
HIS( 15 A -39 )
LEU( 15 A -38 )
MET( 15 A -37 )
ALA( 15 A -36 )
LEU( 15 A -35 )
GLY( 15 A -34 )
LEU( 15 A -33 )
GLY( 15 A -32 )
PRO( 15 A -31 )
TRP( 15 A -30 )
LEU( 15 A -29 )
ALA( 15 A -28 )
VAL( 15 A -27 )
GLU( 15 A -26 )
ILE( 15 A -25 )
PRO( 15 A -24 )
ASP( 15 A -23 )
LEU( 15 A -22 )
ILE( 15 A -21 )
GLN( 15 A -20 )
LYS( 15 A -19 )
GLY( 15 A -18 )
VAL( 15 A -17 )
ILE( 15 A -16 )
GLN( 15 A -15 )
HIS( 15 A -14 )
LYS( 15 A -13 )
GLU( 15 A -12 )
LYS( 15 A -11 )
CYS( 15 A -10 )
ASN( 15 A -9 )
GLN( 15 A -8 )
LEU( 15 A -7 )
GLU( 15 A -6 )
HIS( 15 A -5 )
HIS( 15 A -4 )
HIS( 15 A -3 )
HIS( 15 A -2 )
HIS( 15 A -1 )
HIS( 15 A 0 )
MET( 16 A-174 )
ALA( 16 A-173 )
ASP( 16 A-172 )
GLU( 16 A-171 )
ALA( 16 A-170 )
THR( 16 A-169 )
ARG( 16 A-168 )
ARG( 16 A-167 )
VAL( 16 A-166 )
VAL( 16 A-165 )
SER( 16 A-164 )
GLU( 16 A-163 )
ILE( 16 A-162 )
PRO( 16 A-161 )
VAL( 16 A-160 )
LEU( 16 A-159 )
LYS( 16 A-158 )
THR( 16 A-157 )
ASN( 16 A-156 )
ALA( 16 A-155 )
GLY( 16 A-154 )
PRO( 16 A-153 )
ARG( 16 A-152 )
ASP( 16 A-151 )
ARG( 16 A-150 )
GLU( 16 A-149 )
LEU( 16 A-148 )
TRP( 16 A-147 )
VAL( 16 A-146 )
GLN( 16 A-145 )
ARG( 16 A-144 )
LEU( 16 A-143 )
LYS( 16 A-142 )
GLU( 16 A-141 )
GLU( 16 A-140 )
TYR( 16 A-139 )
GLN( 16 A-138 )
SER( 16 A-137 )
LEU( 16 A-136 )
ILE( 16 A-135 )
ARG( 16 A-134 )
TYR( 16 A-133 )
VAL( 16 A-132 )
GLU( 16 A-131 )
ASN( 16 A-130 )
ASN( 16 A-129 )
LYS( 16 A-128 )
ASN( 16 A-127 )
ALA( 16 A-126 )
ASP( 16 A-125 )
ASN( 16 A-124 )
ASP( 16 A-123 )
TRP( 16 A-122 )
PHE( 16 A-121 )
ARG( 16 A-120 )
LEU( 16 A-119 )
GLU( 16 A-118 )
SER( 16 A-117 )
ASN( 16 A-116 )
LYS( 16 A-115 )
GLU( 16 A-114 )
GLY( 16 A-113 )
THR( 16 A-112 )
ARG( 16 A-111 )
TRP( 16 A-110 )
PHE( 16 A-109 )
GLY( 16 A-108 )
LYS( 16 A-107 )
CYS( 16 A-106 )
TRP( 16 A-105 )
TYR( 16 A-104 )
ILE( 16 A-103 )
HIS( 16 A-102 )
ASP( 16 A-101 )
LEU( 16 A-100 )
LEU( 16 A -99 )
LYS( 16 A -98 )
TYR( 16 A -97 )
GLU( 16 A -96 )
PHE( 16 A -95 )
ASP( 16 A -94 )
ILE( 16 A -93 )
GLU( 16 A -92 )
PHE( 16 A -91 )
ASP( 16 A -90 )
ILE( 16 A -89 )
PRO( 16 A -88 )
ILE( 16 A -87 )
THR( 16 A -86 )
TYR( 16 A -85 )
PRO( 16 A -84 )
THR( 16 A -83 )
THR( 16 A -82 )
ALA( 16 A -81 )
PRO( 16 A -80 )
GLU( 16 A -79 )
ILE( 16 A -78 )
ALA( 16 A -77 )
VAL( 16 A -76 )
PRO( 16 A -75 )
GLU( 16 A -74 )
LEU( 16 A -73 )
ASP( 16 A -72 )
GLY( 16 A -71 )
LYS( 16 A -70 )
THR( 16 A -69 )
ALA( 16 A -68 )
LYS( 16 A -67 )
MET( 16 A -66 )
TYR( 16 A -65 )
ARG( 16 A -64 )
GLY( 16 A -63 )
GLY( 16 A -62 )
LYS( 16 A -61 )
ILE( 16 A -60 )
CYS( 16 A -59 )
LEU( 16 A -58 )
THR( 16 A -57 )
ASP( 16 A -56 )
HIS( 16 A -55 )
PHE( 16 A -54 )
LYS( 16 A -53 )
PRO( 16 A -52 )
LEU( 16 A -51 )
TRP( 16 A -50 )
ALA( 16 A -49 )
ARG( 16 A -48 )
ASN( 16 A -47 )
VAL( 16 A -46 )
PRO( 16 A -45 )
LYS( 16 A -44 )
PHE( 16 A -43 )
GLY( 16 A -42 )
LEU( 16 A -41 )
ALA( 16 A -40 )
HIS( 16 A -39 )
LEU( 16 A -38 )
MET( 16 A -37 )
ALA( 16 A -36 )
LEU( 16 A -35 )
GLY( 16 A -34 )
LEU( 16 A -33 )
GLY( 16 A -32 )
PRO( 16 A -31 )
TRP( 16 A -30 )
LEU( 16 A -29 )
ALA( 16 A -28 )
VAL( 16 A -27 )
GLU( 16 A -26 )
ILE( 16 A -25 )
PRO( 16 A -24 )
ASP( 16 A -23 )
LEU( 16 A -22 )
ILE( 16 A -21 )
GLN( 16 A -20 )
LYS( 16 A -19 )
GLY( 16 A -18 )
VAL( 16 A -17 )
ILE( 16 A -16 )
GLN( 16 A -15 )
HIS( 16 A -14 )
LYS( 16 A -13 )
GLU( 16 A -12 )
LYS( 16 A -11 )
CYS( 16 A -10 )
ASN( 16 A -9 )
GLN( 16 A -8 )
LEU( 16 A -7 )
GLU( 16 A -6 )
HIS( 16 A -5 )
HIS( 16 A -4 )
HIS( 16 A -3 )
HIS( 16 A -2 )
HIS( 16 A -1 )
HIS( 16 A 0 )
MET( 17 A-174 )
ALA( 17 A-173 )
ASP( 17 A-172 )
GLU( 17 A-171 )
ALA( 17 A-170 )
THR( 17 A-169 )
ARG( 17 A-168 )
ARG( 17 A-167 )
VAL( 17 A-166 )
VAL( 17 A-165 )
SER( 17 A-164 )
GLU( 17 A-163 )
ILE( 17 A-162 )
PRO( 17 A-161 )
VAL( 17 A-160 )
LEU( 17 A-159 )
LYS( 17 A-158 )
THR( 17 A-157 )
ASN( 17 A-156 )
ALA( 17 A-155 )
GLY( 17 A-154 )
PRO( 17 A-153 )
ARG( 17 A-152 )
ASP( 17 A-151 )
ARG( 17 A-150 )
GLU( 17 A-149 )
LEU( 17 A-148 )
TRP( 17 A-147 )
VAL( 17 A-146 )
GLN( 17 A-145 )
ARG( 17 A-144 )
LEU( 17 A-143 )
LYS( 17 A-142 )
GLU( 17 A-141 )
GLU( 17 A-140 )
TYR( 17 A-139 )
GLN( 17 A-138 )
SER( 17 A-137 )
LEU( 17 A-136 )
ILE( 17 A-135 )
ARG( 17 A-134 )
TYR( 17 A-133 )
VAL( 17 A-132 )
GLU( 17 A-131 )
ASN( 17 A-130 )
ASN( 17 A-129 )
LYS( 17 A-128 )
ASN( 17 A-127 )
ALA( 17 A-126 )
ASP( 17 A-125 )
ASN( 17 A-124 )
ASP( 17 A-123 )
TRP( 17 A-122 )
PHE( 17 A-121 )
ARG( 17 A-120 )
LEU( 17 A-119 )
GLU( 17 A-118 )
SER( 17 A-117 )
ASN( 17 A-116 )
LYS( 17 A-115 )
GLU( 17 A-114 )
GLY( 17 A-113 )
THR( 17 A-112 )
ARG( 17 A-111 )
TRP( 17 A-110 )
PHE( 17 A-109 )
GLY( 17 A-108 )
LYS( 17 A-107 )
CYS( 17 A-106 )
TRP( 17 A-105 )
TYR( 17 A-104 )
ILE( 17 A-103 )
HIS( 17 A-102 )
ASP( 17 A-101 )
LEU( 17 A-100 )
LEU( 17 A -99 )
LYS( 17 A -98 )
TYR( 17 A -97 )
GLU( 17 A -96 )
PHE( 17 A -95 )
ASP( 17 A -94 )
ILE( 17 A -93 )
GLU( 17 A -92 )
PHE( 17 A -91 )
ASP( 17 A -90 )
ILE( 17 A -89 )
PRO( 17 A -88 )
ILE( 17 A -87 )
THR( 17 A -86 )
TYR( 17 A -85 )
PRO( 17 A -84 )
THR( 17 A -83 )
THR( 17 A -82 )
ALA( 17 A -81 )
PRO( 17 A -80 )
GLU( 17 A -79 )
ILE( 17 A -78 )
ALA( 17 A -77 )
VAL( 17 A -76 )
PRO( 17 A -75 )
GLU( 17 A -74 )
LEU( 17 A -73 )
ASP( 17 A -72 )
GLY( 17 A -71 )
LYS( 17 A -70 )
THR( 17 A -69 )
ALA( 17 A -68 )
LYS( 17 A -67 )
MET( 17 A -66 )
TYR( 17 A -65 )
ARG( 17 A -64 )
GLY( 17 A -63 )
GLY( 17 A -62 )
LYS( 17 A -61 )
ILE( 17 A -60 )
CYS( 17 A -59 )
LEU( 17 A -58 )
THR( 17 A -57 )
ASP( 17 A -56 )
HIS( 17 A -55 )
PHE( 17 A -54 )
LYS( 17 A -53 )
PRO( 17 A -52 )
LEU( 17 A -51 )
TRP( 17 A -50 )
ALA( 17 A -49 )
ARG( 17 A -48 )
ASN( 17 A -47 )
VAL( 17 A -46 )
PRO( 17 A -45 )
LYS( 17 A -44 )
PHE( 17 A -43 )
GLY( 17 A -42 )
LEU( 17 A -41 )
ALA( 17 A -40 )
HIS( 17 A -39 )
LEU( 17 A -38 )
MET( 17 A -37 )
ALA( 17 A -36 )
LEU( 17 A -35 )
GLY( 17 A -34 )
LEU( 17 A -33 )
GLY( 17 A -32 )
PRO( 17 A -31 )
TRP( 17 A -30 )
LEU( 17 A -29 )
ALA( 17 A -28 )
VAL( 17 A -27 )
GLU( 17 A -26 )
ILE( 17 A -25 )
PRO( 17 A -24 )
ASP( 17 A -23 )
LEU( 17 A -22 )
ILE( 17 A -21 )
GLN( 17 A -20 )
LYS( 17 A -19 )
GLY( 17 A -18 )
VAL( 17 A -17 )
ILE( 17 A -16 )
GLN( 17 A -15 )
HIS( 17 A -14 )
LYS( 17 A -13 )
GLU( 17 A -12 )
LYS( 17 A -11 )
CYS( 17 A -10 )
ASN( 17 A -9 )
GLN( 17 A -8 )
LEU( 17 A -7 )
GLU( 17 A -6 )
HIS( 17 A -5 )
HIS( 17 A -4 )
HIS( 17 A -3 )
HIS( 17 A -2 )
HIS( 17 A -1 )
HIS( 17 A 0 )
MET( 18 A-174 )
ALA( 18 A-173 )
ASP( 18 A-172 )
GLU( 18 A-171 )
ALA( 18 A-170 )
THR( 18 A-169 )
ARG( 18 A-168 )
ARG( 18 A-167 )
VAL( 18 A-166 )
VAL( 18 A-165 )
SER( 18 A-164 )
GLU( 18 A-163 )
ILE( 18 A-162 )
PRO( 18 A-161 )
VAL( 18 A-160 )
LEU( 18 A-159 )
LYS( 18 A-158 )
THR( 18 A-157 )
ASN( 18 A-156 )
ALA( 18 A-155 )
GLY( 18 A-154 )
PRO( 18 A-153 )
ARG( 18 A-152 )
ASP( 18 A-151 )
ARG( 18 A-150 )
GLU( 18 A-149 )
LEU( 18 A-148 )
TRP( 18 A-147 )
VAL( 18 A-146 )
GLN( 18 A-145 )
ARG( 18 A-144 )
LEU( 18 A-143 )
LYS( 18 A-142 )
GLU( 18 A-141 )
GLU( 18 A-140 )
TYR( 18 A-139 )
GLN( 18 A-138 )
SER( 18 A-137 )
LEU( 18 A-136 )
ILE( 18 A-135 )
ARG( 18 A-134 )
TYR( 18 A-133 )
VAL( 18 A-132 )
GLU( 18 A-131 )
ASN( 18 A-130 )
ASN( 18 A-129 )
LYS( 18 A-128 )
ASN( 18 A-127 )
ALA( 18 A-126 )
ASP( 18 A-125 )
ASN( 18 A-124 )
ASP( 18 A-123 )
TRP( 18 A-122 )
PHE( 18 A-121 )
ARG( 18 A-120 )
LEU( 18 A-119 )
GLU( 18 A-118 )
SER( 18 A-117 )
ASN( 18 A-116 )
LYS( 18 A-115 )
GLU( 18 A-114 )
GLY( 18 A-113 )
THR( 18 A-112 )
ARG( 18 A-111 )
TRP( 18 A-110 )
PHE( 18 A-109 )
GLY( 18 A-108 )
LYS( 18 A-107 )
CYS( 18 A-106 )
TRP( 18 A-105 )
TYR( 18 A-104 )
ILE( 18 A-103 )
HIS( 18 A-102 )
ASP( 18 A-101 )
LEU( 18 A-100 )
LEU( 18 A -99 )
LYS( 18 A -98 )
TYR( 18 A -97 )
GLU( 18 A -96 )
PHE( 18 A -95 )
ASP( 18 A -94 )
ILE( 18 A -93 )
GLU( 18 A -92 )
PHE( 18 A -91 )
ASP( 18 A -90 )
ILE( 18 A -89 )
PRO( 18 A -88 )
ILE( 18 A -87 )
THR( 18 A -86 )
TYR( 18 A -85 )
PRO( 18 A -84 )
THR( 18 A -83 )
THR( 18 A -82 )
ALA( 18 A -81 )
PRO( 18 A -80 )
GLU( 18 A -79 )
ILE( 18 A -78 )
ALA( 18 A -77 )
VAL( 18 A -76 )
PRO( 18 A -75 )
GLU( 18 A -74 )
LEU( 18 A -73 )
ASP( 18 A -72 )
GLY( 18 A -71 )
LYS( 18 A -70 )
THR( 18 A -69 )
ALA( 18 A -68 )
LYS( 18 A -67 )
MET( 18 A -66 )
TYR( 18 A -65 )
ARG( 18 A -64 )
GLY( 18 A -63 )
GLY( 18 A -62 )
LYS( 18 A -61 )
ILE( 18 A -60 )
CYS( 18 A -59 )
LEU( 18 A -58 )
THR( 18 A -57 )
ASP( 18 A -56 )
HIS( 18 A -55 )
PHE( 18 A -54 )
LYS( 18 A -53 )
PRO( 18 A -52 )
LEU( 18 A -51 )
TRP( 18 A -50 )
ALA( 18 A -49 )
ARG( 18 A -48 )
ASN( 18 A -47 )
VAL( 18 A -46 )
PRO( 18 A -45 )
LYS( 18 A -44 )
PHE( 18 A -43 )
GLY( 18 A -42 )
LEU( 18 A -41 )
ALA( 18 A -40 )
HIS( 18 A -39 )
LEU( 18 A -38 )
MET( 18 A -37 )
ALA( 18 A -36 )
LEU( 18 A -35 )
GLY( 18 A -34 )
LEU( 18 A -33 )
GLY( 18 A -32 )
PRO( 18 A -31 )
TRP( 18 A -30 )
LEU( 18 A -29 )
ALA( 18 A -28 )
VAL( 18 A -27 )
GLU( 18 A -26 )
ILE( 18 A -25 )
PRO( 18 A -24 )
ASP( 18 A -23 )
LEU( 18 A -22 )
ILE( 18 A -21 )
GLN( 18 A -20 )
LYS( 18 A -19 )
GLY( 18 A -18 )
VAL( 18 A -17 )
ILE( 18 A -16 )
GLN( 18 A -15 )
HIS( 18 A -14 )
LYS( 18 A -13 )
GLU( 18 A -12 )
LYS( 18 A -11 )
CYS( 18 A -10 )
ASN( 18 A -9 )
GLN( 18 A -8 )
LEU( 18 A -7 )
GLU( 18 A -6 )
HIS( 18 A -5 )
HIS( 18 A -4 )
HIS( 18 A -3 )
HIS( 18 A -2 )
HIS( 18 A -1 )
HIS( 18 A 0 )
MET( 19 A-174 )
ALA( 19 A-173 )
ASP( 19 A-172 )
GLU( 19 A-171 )
ALA( 19 A-170 )
THR( 19 A-169 )
ARG( 19 A-168 )
ARG( 19 A-167 )
VAL( 19 A-166 )
VAL( 19 A-165 )
SER( 19 A-164 )
GLU( 19 A-163 )
ILE( 19 A-162 )
PRO( 19 A-161 )
VAL( 19 A-160 )
LEU( 19 A-159 )
LYS( 19 A-158 )
THR( 19 A-157 )
ASN( 19 A-156 )
ALA( 19 A-155 )
GLY( 19 A-154 )
PRO( 19 A-153 )
ARG( 19 A-152 )
ASP( 19 A-151 )
ARG( 19 A-150 )
GLU( 19 A-149 )
LEU( 19 A-148 )
TRP( 19 A-147 )
VAL( 19 A-146 )
GLN( 19 A-145 )
ARG( 19 A-144 )
LEU( 19 A-143 )
LYS( 19 A-142 )
GLU( 19 A-141 )
GLU( 19 A-140 )
TYR( 19 A-139 )
GLN( 19 A-138 )
SER( 19 A-137 )
LEU( 19 A-136 )
ILE( 19 A-135 )
ARG( 19 A-134 )
TYR( 19 A-133 )
VAL( 19 A-132 )
GLU( 19 A-131 )
ASN( 19 A-130 )
ASN( 19 A-129 )
LYS( 19 A-128 )
ASN( 19 A-127 )
ALA( 19 A-126 )
ASP( 19 A-125 )
ASN( 19 A-124 )
ASP( 19 A-123 )
TRP( 19 A-122 )
PHE( 19 A-121 )
ARG( 19 A-120 )
LEU( 19 A-119 )
GLU( 19 A-118 )
SER( 19 A-117 )
ASN( 19 A-116 )
LYS( 19 A-115 )
GLU( 19 A-114 )
GLY( 19 A-113 )
THR( 19 A-112 )
ARG( 19 A-111 )
TRP( 19 A-110 )
PHE( 19 A-109 )
GLY( 19 A-108 )
LYS( 19 A-107 )
CYS( 19 A-106 )
TRP( 19 A-105 )
TYR( 19 A-104 )
ILE( 19 A-103 )
HIS( 19 A-102 )
ASP( 19 A-101 )
LEU( 19 A-100 )
LEU( 19 A -99 )
LYS( 19 A -98 )
TYR( 19 A -97 )
GLU( 19 A -96 )
PHE( 19 A -95 )
ASP( 19 A -94 )
ILE( 19 A -93 )
GLU( 19 A -92 )
PHE( 19 A -91 )
ASP( 19 A -90 )
ILE( 19 A -89 )
PRO( 19 A -88 )
ILE( 19 A -87 )
THR( 19 A -86 )
TYR( 19 A -85 )
PRO( 19 A -84 )
THR( 19 A -83 )
THR( 19 A -82 )
ALA( 19 A -81 )
PRO( 19 A -80 )
GLU( 19 A -79 )
ILE( 19 A -78 )
ALA( 19 A -77 )
VAL( 19 A -76 )
PRO( 19 A -75 )
GLU( 19 A -74 )
LEU( 19 A -73 )
ASP( 19 A -72 )
GLY( 19 A -71 )
LYS( 19 A -70 )
THR( 19 A -69 )
ALA( 19 A -68 )
LYS( 19 A -67 )
MET( 19 A -66 )
TYR( 19 A -65 )
ARG( 19 A -64 )
GLY( 19 A -63 )
GLY( 19 A -62 )
LYS( 19 A -61 )
ILE( 19 A -60 )
CYS( 19 A -59 )
LEU( 19 A -58 )
THR( 19 A -57 )
ASP( 19 A -56 )
HIS( 19 A -55 )
PHE( 19 A -54 )
LYS( 19 A -53 )
PRO( 19 A -52 )
LEU( 19 A -51 )
TRP( 19 A -50 )
ALA( 19 A -49 )
ARG( 19 A -48 )
ASN( 19 A -47 )
VAL( 19 A -46 )
PRO( 19 A -45 )
LYS( 19 A -44 )
PHE( 19 A -43 )
GLY( 19 A -42 )
LEU( 19 A -41 )
ALA( 19 A -40 )
HIS( 19 A -39 )
LEU( 19 A -38 )
MET( 19 A -37 )
ALA( 19 A -36 )
LEU( 19 A -35 )
GLY( 19 A -34 )
LEU( 19 A -33 )
GLY( 19 A -32 )
PRO( 19 A -31 )
TRP( 19 A -30 )
LEU( 19 A -29 )
ALA( 19 A -28 )
VAL( 19 A -27 )
GLU( 19 A -26 )
ILE( 19 A -25 )
PRO( 19 A -24 )
ASP( 19 A -23 )
LEU( 19 A -22 )
ILE( 19 A -21 )
GLN( 19 A -20 )
LYS( 19 A -19 )
GLY( 19 A -18 )
VAL( 19 A -17 )
ILE( 19 A -16 )
GLN( 19 A -15 )
HIS( 19 A -14 )
LYS( 19 A -13 )
GLU( 19 A -12 )
LYS( 19 A -11 )
CYS( 19 A -10 )
ASN( 19 A -9 )
GLN( 19 A -8 )
LEU( 19 A -7 )
GLU( 19 A -6 )
HIS( 19 A -5 )
HIS( 19 A -4 )
HIS( 19 A -3 )
HIS( 19 A -2 )
HIS( 19 A -1 )
HIS( 19 A 0 )
MET( 20 A-174 )
ALA( 20 A-173 )
ASP( 20 A-172 )
GLU( 20 A-171 )
ALA( 20 A-170 )
THR( 20 A-169 )
ARG( 20 A-168 )
ARG( 20 A-167 )
VAL( 20 A-166 )
VAL( 20 A-165 )
SER( 20 A-164 )
GLU( 20 A-163 )
ILE( 20 A-162 )
PRO( 20 A-161 )
VAL( 20 A-160 )
LEU( 20 A-159 )
LYS( 20 A-158 )
THR( 20 A-157 )
ASN( 20 A-156 )
ALA( 20 A-155 )
GLY( 20 A-154 )
PRO( 20 A-153 )
ARG( 20 A-152 )
ASP( 20 A-151 )
ARG( 20 A-150 )
GLU( 20 A-149 )
LEU( 20 A-148 )
TRP( 20 A-147 )
VAL( 20 A-146 )
GLN( 20 A-145 )
ARG( 20 A-144 )
LEU( 20 A-143 )
LYS( 20 A-142 )
GLU( 20 A-141 )
GLU( 20 A-140 )
TYR( 20 A-139 )
GLN( 20 A-138 )
SER( 20 A-137 )
LEU( 20 A-136 )
ILE( 20 A-135 )
ARG( 20 A-134 )
TYR( 20 A-133 )
VAL( 20 A-132 )
GLU( 20 A-131 )
ASN( 20 A-130 )
ASN( 20 A-129 )
LYS( 20 A-128 )
ASN( 20 A-127 )
ALA( 20 A-126 )
ASP( 20 A-125 )
ASN( 20 A-124 )
ASP( 20 A-123 )
TRP( 20 A-122 )
PHE( 20 A-121 )
ARG( 20 A-120 )
LEU( 20 A-119 )
GLU( 20 A-118 )
SER( 20 A-117 )
ASN( 20 A-116 )
LYS( 20 A-115 )
GLU( 20 A-114 )
GLY( 20 A-113 )
THR( 20 A-112 )
ARG( 20 A-111 )
TRP( 20 A-110 )
PHE( 20 A-109 )
GLY( 20 A-108 )
LYS( 20 A-107 )
CYS( 20 A-106 )
TRP( 20 A-105 )
TYR( 20 A-104 )
ILE( 20 A-103 )
HIS( 20 A-102 )
ASP( 20 A-101 )
LEU( 20 A-100 )
LEU( 20 A -99 )
LYS( 20 A -98 )
TYR( 20 A -97 )
GLU( 20 A -96 )
PHE( 20 A -95 )
ASP( 20 A -94 )
ILE( 20 A -93 )
GLU( 20 A -92 )
PHE( 20 A -91 )
ASP( 20 A -90 )
ILE( 20 A -89 )
PRO( 20 A -88 )
ILE( 20 A -87 )
THR( 20 A -86 )
TYR( 20 A -85 )
PRO( 20 A -84 )
THR( 20 A -83 )
THR( 20 A -82 )
ALA( 20 A -81 )
PRO( 20 A -80 )
GLU( 20 A -79 )
ILE( 20 A -78 )
ALA( 20 A -77 )
VAL( 20 A -76 )
PRO( 20 A -75 )
GLU( 20 A -74 )
LEU( 20 A -73 )
ASP( 20 A -72 )
GLY( 20 A -71 )
LYS( 20 A -70 )
THR( 20 A -69 )
ALA( 20 A -68 )
LYS( 20 A -67 )
MET( 20 A -66 )
TYR( 20 A -65 )
ARG( 20 A -64 )
GLY( 20 A -63 )
GLY( 20 A -62 )
LYS( 20 A -61 )
ILE( 20 A -60 )
CYS( 20 A -59 )
LEU( 20 A -58 )
THR( 20 A -57 )
ASP( 20 A -56 )
HIS( 20 A -55 )
PHE( 20 A -54 )
LYS( 20 A -53 )
PRO( 20 A -52 )
LEU( 20 A -51 )
TRP( 20 A -50 )
ALA( 20 A -49 )
ARG( 20 A -48 )
ASN( 20 A -47 )
VAL( 20 A -46 )
PRO( 20 A -45 )
LYS( 20 A -44 )
PHE( 20 A -43 )
GLY( 20 A -42 )
LEU( 20 A -41 )
ALA( 20 A -40 )
HIS( 20 A -39 )
LEU( 20 A -38 )
MET( 20 A -37 )
ALA( 20 A -36 )
LEU( 20 A -35 )
GLY( 20 A -34 )
LEU( 20 A -33 )
GLY( 20 A -32 )
PRO( 20 A -31 )
TRP( 20 A -30 )
LEU( 20 A -29 )
ALA( 20 A -28 )
VAL( 20 A -27 )
GLU( 20 A -26 )
ILE( 20 A -25 )
PRO( 20 A -24 )
ASP( 20 A -23 )
LEU( 20 A -22 )
ILE( 20 A -21 )
GLN( 20 A -20 )
LYS( 20 A -19 )
GLY( 20 A -18 )
VAL( 20 A -17 )
ILE( 20 A -16 )
GLN( 20 A -15 )
HIS( 20 A -14 )
LYS( 20 A -13 )
GLU( 20 A -12 )
LYS( 20 A -11 )
CYS( 20 A -10 )
ASN( 20 A -9 )
GLN( 20 A -8 )
LEU( 20 A -7 )
GLU( 20 A -6 )
HIS( 20 A -5 )
HIS( 20 A -4 )
HIS( 20 A -3 )
HIS( 20 A -2 )
HIS( 20 A -1 )
HIS( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET ALA ASP GLU ALA THR ARG ARG VAL VAL SER GLU ILE PRO VAL
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: LEU LYS THR ASN ALA GLY PRO ARG ASP ARG GLU LEU TRP VAL GLN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: ARG LEU LYS GLU GLU TYR GLN SER LEU ILE ARG TYR VAL GLU ASN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: ASN LYS ASN ALA ASP ASN ASP TRP PHE ARG LEU GLU SER ASN LYS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: GLU GLY THR ARG TRP PHE GLY LYS CYS TRP TYR ILE HIS ASP LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: LEU LYS TYR GLU PHE ASP ILE GLU PHE ASP ILE PRO ILE THR TYR
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: PRO THR THR ALA PRO GLU ILE ALA VAL PRO GLU LEU ASP GLY LYS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
106 120
SEQRES: THR ALA LYS MET TYR ARG GLY GLY LYS ILE CYS LEU THR ASP HIS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
121 135
SEQRES: PHE LYS PRO LEU TRP ALA ARG ASN VAL PRO LYS PHE GLY LEU ALA
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
136 150
SEQRES: HIS LEU MET ALA LEU GLY LEU GLY PRO TRP LEU ALA VAL GLU ILE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
151 165
SEQRES: PRO ASP LEU ILE GLN LYS GLY VAL ILE GLN HIS LYS GLU LYS CYS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
166 180
SEQRES: ASN GLN LEU GLU HIS HIS HIS HIS HIS HIS MET ALA ASP GLU ALA
COORDS: ... ... ... ... ... ... ... ... ... ... MET ALA ASP GLU ALA
1 5
181 195
SEQRES: THR ARG ARG VAL VAL SER GLU ILE PRO VAL LEU LYS THR ASN ALA
COORDS: THR ARG ARG VAL VAL SER GLU ILE PRO VAL LEU LYS THR ASN ALA
6 20
196 210
SEQRES: GLY PRO ARG ASP ARG GLU LEU TRP VAL GLN ARG LEU LYS GLU GLU
COORDS: GLY PRO ARG ASP ARG GLU LEU TRP VAL GLN ARG LEU LYS GLU GLU
21 35
211 225
SEQRES: TYR GLN SER LEU ILE ARG TYR VAL GLU ASN ASN LYS ASN ALA ASP
COORDS: TYR GLN SER LEU ILE ARG TYR VAL GLU ASN ASN LYS ASN ALA ASP
36 50
226 240
SEQRES: ASN ASP TRP PHE ARG LEU GLU SER ASN LYS GLU GLY THR ARG TRP
COORDS: ASN ASP TRP PHE ARG LEU GLU SER ASN LYS GLU GLY THR ARG TRP
51 65
241 255
SEQRES: PHE GLY LYS CYS TRP TYR ILE HIS ASP LEU LEU LYS TYR GLU PHE
COORDS: PHE GLY LYS CYS TRP TYR ILE HIS ASP LEU LEU LYS TYR GLU PHE
66 80
256 270
SEQRES: ASP ILE GLU PHE ASP ILE PRO ILE THR TYR PRO THR THR ALA PRO
COORDS: ASP ILE GLU PHE ASP ILE PRO ILE THR TYR PRO THR THR ALA PRO
81 95
271 285
SEQRES: GLU ILE ALA VAL PRO GLU LEU ASP GLY LYS THR ALA LYS MET TYR
COORDS: GLU ILE ALA VAL PRO GLU LEU ASP GLY LYS THR ALA LYS MET TYR
96 110
286 300
SEQRES: ARG GLY GLY LYS ILE CYS LEU THR ASP HIS PHE LYS PRO LEU TRP
COORDS: ARG GLY GLY LYS ILE CYS LEU THR ASP HIS PHE LYS PRO LEU TRP
111 125
301 315
SEQRES: ALA ARG ASN VAL PRO LYS PHE GLY LEU ALA HIS LEU MET ALA LEU
COORDS: ALA ARG ASN VAL PRO LYS PHE GLY LEU ALA HIS LEU MET ALA LEU
126 140
316 330
SEQRES: GLY LEU GLY PRO TRP LEU ALA VAL GLU ILE PRO ASP LEU ILE GLN
COORDS: GLY LEU GLY PRO TRP LEU ALA VAL GLU ILE PRO ASP LEU ILE GLN
141 155
331 345
SEQRES: LYS GLY VAL ILE GLN HIS LYS GLU LYS CYS ASN GLN LEU GLU HIS
COORDS: LYS GLY VAL ILE GLN HIS LYS GLU LYS CYS ASN GLN LEU GLU HIS
156 170
346 350
SEQRES: HIS HIS HIS HIS HIS
COORDS: HIS HIS HIS HIS HIS
171 175
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 3) HD2
GLU( 1 A 4) HE2
GLU( 1 A 12) HE2
ASP( 1 A 24) HD2
GLU( 1 A 26) HE2
GLU( 1 A 34) HE2
GLU( 1 A 35) HE2
GLU( 1 A 44) HE2
ASP( 1 A 50) HD2
ASP( 1 A 52) HD2
GLU( 1 A 57) HE2
GLU( 1 A 61) HE2
ASP( 1 A 74) HD2
GLU( 1 A 79) HE2
ASP( 1 A 81) HD2
GLU( 1 A 83) HE2
ASP( 1 A 85) HD2
GLU( 1 A 96) HE2
GLU( 1 A 101) HE2
ASP( 1 A 103) HD2
ASP( 1 A 119) HD2
GLU( 1 A 149) HE2
ASP( 1 A 152) HD2
GLU( 1 A 163) HE2
GLU( 1 A 169) HE2
ASP( 2 A 3) HD2
GLU( 2 A 4) HE2
GLU( 2 A 12) HE2
ASP( 2 A 24) HD2
GLU( 2 A 26) HE2
GLU( 2 A 34) HE2
GLU( 2 A 35) HE2
GLU( 2 A 44) HE2
ASP( 2 A 50) HD2
ASP( 2 A 52) HD2
GLU( 2 A 57) HE2
GLU( 2 A 61) HE2
ASP( 2 A 74) HD2
GLU( 2 A 79) HE2
ASP( 2 A 81) HD2
GLU( 2 A 83) HE2
ASP( 2 A 85) HD2
GLU( 2 A 96) HE2
GLU( 2 A 101) HE2
ASP( 2 A 103) HD2
ASP( 2 A 119) HD2
GLU( 2 A 149) HE2
ASP( 2 A 152) HD2
GLU( 2 A 163) HE2
GLU( 2 A 169) HE2
ASP( 3 A 3) HD2
GLU( 3 A 4) HE2
GLU( 3 A 12) HE2
ASP( 3 A 24) HD2
GLU( 3 A 26) HE2
GLU( 3 A 34) HE2
GLU( 3 A 35) HE2
GLU( 3 A 44) HE2
ASP( 3 A 50) HD2
ASP( 3 A 52) HD2
GLU( 3 A 57) HE2
GLU( 3 A 61) HE2
ASP( 3 A 74) HD2
GLU( 3 A 79) HE2
ASP( 3 A 81) HD2
GLU( 3 A 83) HE2
ASP( 3 A 85) HD2
GLU( 3 A 96) HE2
GLU( 3 A 101) HE2
ASP( 3 A 103) HD2
ASP( 3 A 119) HD2
GLU( 3 A 149) HE2
ASP( 3 A 152) HD2
GLU( 3 A 163) HE2
GLU( 3 A 169) HE2
ASP( 4 A 3) HD2
GLU( 4 A 4) HE2
GLU( 4 A 12) HE2
ASP( 4 A 24) HD2
GLU( 4 A 26) HE2
GLU( 4 A 34) HE2
GLU( 4 A 35) HE2
GLU( 4 A 44) HE2
ASP( 4 A 50) HD2
ASP( 4 A 52) HD2
GLU( 4 A 57) HE2
GLU( 4 A 61) HE2
ASP( 4 A 74) HD2
GLU( 4 A 79) HE2
ASP( 4 A 81) HD2
GLU( 4 A 83) HE2
ASP( 4 A 85) HD2
GLU( 4 A 96) HE2
GLU( 4 A 101) HE2
ASP( 4 A 103) HD2
ASP( 4 A 119) HD2
GLU( 4 A 149) HE2
ASP( 4 A 152) HD2
GLU( 4 A 163) HE2
GLU( 4 A 169) HE2
ASP( 5 A 3) HD2
GLU( 5 A 4) HE2
GLU( 5 A 12) HE2
ASP( 5 A 24) HD2
GLU( 5 A 26) HE2
GLU( 5 A 34) HE2
GLU( 5 A 35) HE2
GLU( 5 A 44) HE2
ASP( 5 A 50) HD2
ASP( 5 A 52) HD2
GLU( 5 A 57) HE2
GLU( 5 A 61) HE2
ASP( 5 A 74) HD2
GLU( 5 A 79) HE2
ASP( 5 A 81) HD2
GLU( 5 A 83) HE2
ASP( 5 A 85) HD2
GLU( 5 A 96) HE2
GLU( 5 A 101) HE2
ASP( 5 A 103) HD2
ASP( 5 A 119) HD2
GLU( 5 A 149) HE2
ASP( 5 A 152) HD2
GLU( 5 A 163) HE2
GLU( 5 A 169) HE2
ASP( 6 A 3) HD2
GLU( 6 A 4) HE2
GLU( 6 A 12) HE2
ASP( 6 A 24) HD2
GLU( 6 A 26) HE2
GLU( 6 A 34) HE2
GLU( 6 A 35) HE2
GLU( 6 A 44) HE2
ASP( 6 A 50) HD2
ASP( 6 A 52) HD2
GLU( 6 A 57) HE2
GLU( 6 A 61) HE2
ASP( 6 A 74) HD2
GLU( 6 A 79) HE2
ASP( 6 A 81) HD2
GLU( 6 A 83) HE2
ASP( 6 A 85) HD2
GLU( 6 A 96) HE2
GLU( 6 A 101) HE2
ASP( 6 A 103) HD2
ASP( 6 A 119) HD2
GLU( 6 A 149) HE2
ASP( 6 A 152) HD2
GLU( 6 A 163) HE2
GLU( 6 A 169) HE2
ASP( 7 A 3) HD2
GLU( 7 A 4) HE2
GLU( 7 A 12) HE2
ASP( 7 A 24) HD2
GLU( 7 A 26) HE2
GLU( 7 A 34) HE2
GLU( 7 A 35) HE2
GLU( 7 A 44) HE2
ASP( 7 A 50) HD2
ASP( 7 A 52) HD2
GLU( 7 A 57) HE2
GLU( 7 A 61) HE2
ASP( 7 A 74) HD2
GLU( 7 A 79) HE2
ASP( 7 A 81) HD2
GLU( 7 A 83) HE2
ASP( 7 A 85) HD2
GLU( 7 A 96) HE2
GLU( 7 A 101) HE2
ASP( 7 A 103) HD2
ASP( 7 A 119) HD2
GLU( 7 A 149) HE2
ASP( 7 A 152) HD2
GLU( 7 A 163) HE2
GLU( 7 A 169) HE2
ASP( 8 A 3) HD2
GLU( 8 A 4) HE2
GLU( 8 A 12) HE2
ASP( 8 A 24) HD2
GLU( 8 A 26) HE2
GLU( 8 A 34) HE2
GLU( 8 A 35) HE2
GLU( 8 A 44) HE2
ASP( 8 A 50) HD2
ASP( 8 A 52) HD2
GLU( 8 A 57) HE2
GLU( 8 A 61) HE2
ASP( 8 A 74) HD2
GLU( 8 A 79) HE2
ASP( 8 A 81) HD2
GLU( 8 A 83) HE2
ASP( 8 A 85) HD2
GLU( 8 A 96) HE2
GLU( 8 A 101) HE2
ASP( 8 A 103) HD2
ASP( 8 A 119) HD2
GLU( 8 A 149) HE2
ASP( 8 A 152) HD2
GLU( 8 A 163) HE2
GLU( 8 A 169) HE2
ASP( 9 A 3) HD2
GLU( 9 A 4) HE2
GLU( 9 A 12) HE2
ASP( 9 A 24) HD2
GLU( 9 A 26) HE2
GLU( 9 A 34) HE2
GLU( 9 A 35) HE2
GLU( 9 A 44) HE2
ASP( 9 A 50) HD2
ASP( 9 A 52) HD2
GLU( 9 A 57) HE2
GLU( 9 A 61) HE2
ASP( 9 A 74) HD2
GLU( 9 A 79) HE2
ASP( 9 A 81) HD2
GLU( 9 A 83) HE2
ASP( 9 A 85) HD2
GLU( 9 A 96) HE2
GLU( 9 A 101) HE2
ASP( 9 A 103) HD2
ASP( 9 A 119) HD2
GLU( 9 A 149) HE2
ASP( 9 A 152) HD2
GLU( 9 A 163) HE2
GLU( 9 A 169) HE2
ASP( 10 A 3) HD2
GLU( 10 A 4) HE2
GLU( 10 A 12) HE2
ASP( 10 A 24) HD2
GLU( 10 A 26) HE2
GLU( 10 A 34) HE2
GLU( 10 A 35) HE2
GLU( 10 A 44) HE2
ASP( 10 A 50) HD2
ASP( 10 A 52) HD2
GLU( 10 A 57) HE2
GLU( 10 A 61) HE2
ASP( 10 A 74) HD2
GLU( 10 A 79) HE2
ASP( 10 A 81) HD2
GLU( 10 A 83) HE2
ASP( 10 A 85) HD2
GLU( 10 A 96) HE2
GLU( 10 A 101) HE2
ASP( 10 A 103) HD2
ASP( 10 A 119) HD2
GLU( 10 A 149) HE2
ASP( 10 A 152) HD2
GLU( 10 A 163) HE2
GLU( 10 A 169) HE2
ASP( 11 A 3) HD2
GLU( 11 A 4) HE2
GLU( 11 A 12) HE2
ASP( 11 A 24) HD2
GLU( 11 A 26) HE2
GLU( 11 A 34) HE2
GLU( 11 A 35) HE2
GLU( 11 A 44) HE2
ASP( 11 A 50) HD2
ASP( 11 A 52) HD2
GLU( 11 A 57) HE2
GLU( 11 A 61) HE2
ASP( 11 A 74) HD2
GLU( 11 A 79) HE2
ASP( 11 A 81) HD2
GLU( 11 A 83) HE2
ASP( 11 A 85) HD2
GLU( 11 A 96) HE2
GLU( 11 A 101) HE2
ASP( 11 A 103) HD2
ASP( 11 A 119) HD2
GLU( 11 A 149) HE2
ASP( 11 A 152) HD2
GLU( 11 A 163) HE2
GLU( 11 A 169) HE2
ASP( 12 A 3) HD2
GLU( 12 A 4) HE2
GLU( 12 A 12) HE2
ASP( 12 A 24) HD2
GLU( 12 A 26) HE2
GLU( 12 A 34) HE2
GLU( 12 A 35) HE2
GLU( 12 A 44) HE2
ASP( 12 A 50) HD2
ASP( 12 A 52) HD2
GLU( 12 A 57) HE2
GLU( 12 A 61) HE2
ASP( 12 A 74) HD2
GLU( 12 A 79) HE2
ASP( 12 A 81) HD2
GLU( 12 A 83) HE2
ASP( 12 A 85) HD2
GLU( 12 A 96) HE2
GLU( 12 A 101) HE2
ASP( 12 A 103) HD2
ASP( 12 A 119) HD2
GLU( 12 A 149) HE2
ASP( 12 A 152) HD2
GLU( 12 A 163) HE2
GLU( 12 A 169) HE2
ASP( 13 A 3) HD2
GLU( 13 A 4) HE2
GLU( 13 A 12) HE2
ASP( 13 A 24) HD2
GLU( 13 A 26) HE2
GLU( 13 A 34) HE2
GLU( 13 A 35) HE2
GLU( 13 A 44) HE2
ASP( 13 A 50) HD2
ASP( 13 A 52) HD2
GLU( 13 A 57) HE2
GLU( 13 A 61) HE2
ASP( 13 A 74) HD2
GLU( 13 A 79) HE2
ASP( 13 A 81) HD2
GLU( 13 A 83) HE2
ASP( 13 A 85) HD2
GLU( 13 A 96) HE2
GLU( 13 A 101) HE2
ASP( 13 A 103) HD2
ASP( 13 A 119) HD2
GLU( 13 A 149) HE2
ASP( 13 A 152) HD2
GLU( 13 A 163) HE2
GLU( 13 A 169) HE2
ASP( 14 A 3) HD2
GLU( 14 A 4) HE2
GLU( 14 A 12) HE2
ASP( 14 A 24) HD2
GLU( 14 A 26) HE2
GLU( 14 A 34) HE2
GLU( 14 A 35) HE2
GLU( 14 A 44) HE2
ASP( 14 A 50) HD2
ASP( 14 A 52) HD2
GLU( 14 A 57) HE2
GLU( 14 A 61) HE2
ASP( 14 A 74) HD2
GLU( 14 A 79) HE2
ASP( 14 A 81) HD2
GLU( 14 A 83) HE2
ASP( 14 A 85) HD2
GLU( 14 A 96) HE2
GLU( 14 A 101) HE2
ASP( 14 A 103) HD2
ASP( 14 A 119) HD2
GLU( 14 A 149) HE2
ASP( 14 A 152) HD2
GLU( 14 A 163) HE2
GLU( 14 A 169) HE2
ASP( 15 A 3) HD2
GLU( 15 A 4) HE2
GLU( 15 A 12) HE2
ASP( 15 A 24) HD2
GLU( 15 A 26) HE2
GLU( 15 A 34) HE2
GLU( 15 A 35) HE2
GLU( 15 A 44) HE2
ASP( 15 A 50) HD2
ASP( 15 A 52) HD2
GLU( 15 A 57) HE2
GLU( 15 A 61) HE2
ASP( 15 A 74) HD2
GLU( 15 A 79) HE2
ASP( 15 A 81) HD2
GLU( 15 A 83) HE2
ASP( 15 A 85) HD2
GLU( 15 A 96) HE2
GLU( 15 A 101) HE2
ASP( 15 A 103) HD2
ASP( 15 A 119) HD2
GLU( 15 A 149) HE2
ASP( 15 A 152) HD2
GLU( 15 A 163) HE2
GLU( 15 A 169) HE2
ASP( 16 A 3) HD2
GLU( 16 A 4) HE2
GLU( 16 A 12) HE2
ASP( 16 A 24) HD2
GLU( 16 A 26) HE2
GLU( 16 A 34) HE2
GLU( 16 A 35) HE2
GLU( 16 A 44) HE2
ASP( 16 A 50) HD2
ASP( 16 A 52) HD2
GLU( 16 A 57) HE2
GLU( 16 A 61) HE2
ASP( 16 A 74) HD2
GLU( 16 A 79) HE2
ASP( 16 A 81) HD2
GLU( 16 A 83) HE2
ASP( 16 A 85) HD2
GLU( 16 A 96) HE2
GLU( 16 A 101) HE2
ASP( 16 A 103) HD2
ASP( 16 A 119) HD2
GLU( 16 A 149) HE2
ASP( 16 A 152) HD2
GLU( 16 A 163) HE2
GLU( 16 A 169) HE2
ASP( 17 A 3) HD2
GLU( 17 A 4) HE2
GLU( 17 A 12) HE2
ASP( 17 A 24) HD2
GLU( 17 A 26) HE2
GLU( 17 A 34) HE2
GLU( 17 A 35) HE2
GLU( 17 A 44) HE2
ASP( 17 A 50) HD2
ASP( 17 A 52) HD2
GLU( 17 A 57) HE2
GLU( 17 A 61) HE2
ASP( 17 A 74) HD2
GLU( 17 A 79) HE2
ASP( 17 A 81) HD2
GLU( 17 A 83) HE2
ASP( 17 A 85) HD2
GLU( 17 A 96) HE2
GLU( 17 A 101) HE2
ASP( 17 A 103) HD2
ASP( 17 A 119) HD2
GLU( 17 A 149) HE2
ASP( 17 A 152) HD2
GLU( 17 A 163) HE2
GLU( 17 A 169) HE2
ASP( 18 A 3) HD2
GLU( 18 A 4) HE2
GLU( 18 A 12) HE2
ASP( 18 A 24) HD2
GLU( 18 A 26) HE2
GLU( 18 A 34) HE2
GLU( 18 A 35) HE2
GLU( 18 A 44) HE2
ASP( 18 A 50) HD2
ASP( 18 A 52) HD2
GLU( 18 A 57) HE2
GLU( 18 A 61) HE2
ASP( 18 A 74) HD2
GLU( 18 A 79) HE2
ASP( 18 A 81) HD2
GLU( 18 A 83) HE2
ASP( 18 A 85) HD2
GLU( 18 A 96) HE2
GLU( 18 A 101) HE2
ASP( 18 A 103) HD2
ASP( 18 A 119) HD2
GLU( 18 A 149) HE2
ASP( 18 A 152) HD2
GLU( 18 A 163) HE2
GLU( 18 A 169) HE2
ASP( 19 A 3) HD2
GLU( 19 A 4) HE2
GLU( 19 A 12) HE2
ASP( 19 A 24) HD2
GLU( 19 A 26) HE2
GLU( 19 A 34) HE2
GLU( 19 A 35) HE2
GLU( 19 A 44) HE2
ASP( 19 A 50) HD2
ASP( 19 A 52) HD2
GLU( 19 A 57) HE2
GLU( 19 A 61) HE2
ASP( 19 A 74) HD2
GLU( 19 A 79) HE2
ASP( 19 A 81) HD2
GLU( 19 A 83) HE2
ASP( 19 A 85) HD2
GLU( 19 A 96) HE2
GLU( 19 A 101) HE2
ASP( 19 A 103) HD2
ASP( 19 A 119) HD2
GLU( 19 A 149) HE2
ASP( 19 A 152) HD2
GLU( 19 A 163) HE2
GLU( 19 A 169) HE2
ASP( 20 A 3) HD2
GLU( 20 A 4) HE2
GLU( 20 A 12) HE2
ASP( 20 A 24) HD2
GLU( 20 A 26) HE2
GLU( 20 A 34) HE2
GLU( 20 A 35) HE2
GLU( 20 A 44) HE2
ASP( 20 A 50) HD2
ASP( 20 A 52) HD2
GLU( 20 A 57) HE2
GLU( 20 A 61) HE2
ASP( 20 A 74) HD2
GLU( 20 A 79) HE2
ASP( 20 A 81) HD2
GLU( 20 A 83) HE2
ASP( 20 A 85) HD2
GLU( 20 A 96) HE2
GLU( 20 A 101) HE2
ASP( 20 A 103) HD2
ASP( 20 A 119) HD2
GLU( 20 A 149) HE2
ASP( 20 A 152) HD2
GLU( 20 A 163) HE2
GLU( 20 A 169) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 175) O2
HIS( 2 A 175) O2
HIS( 3 A 175) O2
HIS( 4 A 175) O2
HIS( 5 A 175) O2
HIS( 6 A 175) O2
HIS( 7 A 175) O2
HIS( 8 A 175) O2
HIS( 9 A 175) O2
HIS( 10 A 175) O2
HIS( 11 A 175) O2
HIS( 12 A 175) O2
HIS( 13 A 175) O2
HIS( 14 A 175) O2
HIS( 15 A 175) O2
HIS( 16 A 175) O2
HIS( 17 A 175) O2
HIS( 18 A 175) O2
HIS( 19 A 175) O2
HIS( 20 A 175) O2
CHECK TERMINAL ATOMS
--------------------
Terminal atom(s) showed in middle of sequence will be deleted:
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A