Detailed results of HR41_R3Cons_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 0.06 0.00 0.00 0.29 0.00 0.31 0.34 0.00 0.34 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.06 .. 0.37]
48-> LYS 17 HN - THR 18 HN [ 1.80 3.42] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
190-> ARG 41 HA - ASN 45 HN [ 1.79 4.29] 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
195-> GLU 44 HB2 - ASN 45 HN [ 1.80 3.30] 0.00 0.00 0.51 0.00 0.00 0.46 0.37 0.00 0.00 0.58 0.52 0.46 0.00 0.46 0.49 0.52 0.00 0.00 0.48 0.43 - 11 [ 0.37 .. 0.58]
219-> ASP 50 HN - ASP 50 HB2 [ 1.80 3.38] 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.16 .. 0.20]
253-> SER 58 HB3 - ASN 59 HN [ 1.79 3.75] 0.11 0.07 0.10 0.10 0.08 0.10 0.09 0.09 0.10 0.15 0.19 0.10 0.12 0.11 0.14 0.07 0.14 0.10 0.12 0.10 - 20 [ 0.07 .. 0.19]
322-> TYR 78 HN - TYR 78 HB2 [ 1.79 3.79] 0.09 0.00 0.00 0.00 0.10 0.09 0.11 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.02 .. 0.11]
343-> GLU 83 HB2 - PHE 84 HN [ 1.80 3.38] 0.28 0.18 0.14 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.12 .. 0.28]
349-> ASP 85 HN - ASP 85 HB3 [ 1.80 3.38] 0.00 0.25 0.32 0.30 0.00 0.28 0.29 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 - 6 [ 0.25 .. 0.32]
353-> ASP 85 HB2 - ILE 86 HN [ 1.80 3.92] 0.00 0.00 0.03 0.22 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 - 2 [ 0.03 .. 0.22]
372-> GLU 96 HA - ILE 97 HN [ 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 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
384-> ASP 103 HN - ASP 103 HB2 [ 1.79 3.51] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 - 2 [ 0.12 .. 0.14]
387-> ASP 103 HA - GLY 104 HN [ 1.80 3.18] 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.22 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.23 0.00 - 5 [ 0.01 .. 0.23]
395-> THR 106 HN - ALA 107 HN [ 1.80 5.72] 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 0.00 0.00 - 1 [ 0.12 .. 0.12]
403-> GLY 113 HN - LYS 114 HN [ 1.79 3.47] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 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 [ 0.19 .. 0.19]
405-> LYS 114 HN - LYS 114 HB3 [ 1.80 3.92] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
559-> VAL 158 HB - ILE 159 HN [ 1.80 4.04] 0.00 0.00 0.13 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.15 - 5 [ 0.09 .. 0.15]
632-> ALA 49 HA - ASN 51 HN [ 1.80 4.78] 0.00 0.02 0.01 0.07 0.06 0.06 0.08 0.06 0.08 0.07 0.07 0.06 0.10 0.06 0.11 0.09 0.03 0.06 0.04 0.02 - 19 [ 0.01 .. 0.11]
652-> LEU 56 HA - PHE 66 HN [ 1.80 4.74] 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]
797-> ILE 40 HN - ILE 40 HG12 [ 1.79 3.59] 0.07 0.07 0.05 0.10 0.06 0.09 0.07 0.07 0.07 0.07 0.05 0.07 0.05 0.07 0.08 0.08 0.05 0.06 0.06 0.07 - 20 [ 0.05 .. 0.10]
904-> LEU 117 HN - LEU 117 HG [ 1.79 3.59] 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 0.58 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.58 .. 0.58]
933-> ILE 154 HN - ILE 154 HG12 [ 1.79 3.55] 0.08 0.09 0.09 0.05 0.09 0.07 0.09 0.07 0.11 0.05 0.09 0.11 0.12 0.09 0.07 0.10 0.12 0.11 0.10 0.10 - 20 [ 0.05 .. 0.12]
947-> GLN 160 HN - GLN 160 HG2 [ 1.80 4.78] 0.00 0.00 0.02 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.31 0.00 - 5 [ 0.00 .. 0.31]
972-> TRP 28 HE1 - GLY 62 HA2 [ 1.80 4.94] 0.03 0.08 0.00 0.00 0.00 0.00 0.00 0.11 0.09 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.04 0.00 0.07 0.00 - 7 [ 0.01 .. 0.11]
978-> GLN 30 HE22 - LYS 33 HD* [ 1.80 7.10] 0.08 0.25 0.24 0.01 0.00 0.00 0.34 0.32 0.23 0.00 0.00 0.00 0.10 0.17 0.00 0.00 0.36 0.16 0.27 0.00 - 12 [ 0.01 .. 0.36]
990-> GLU 12 HB2 - ASN 45 HD22 [ 1.80 4.20] 0.08 0.04 0.05 0.08 0.18 0.53 0.46 0.09 0.00 0.11 0.35 0.00 0.10 0.33 0.38 0.09 0.00 0.32 0.00 0.02 - 16 [ 0.02 .. 0.53]
1000-> TRP 53 HN - TRP 53 HD1 [ 1.80 4.20] 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.30 - 4 [ 0.01 .. 0.30]
1034-> GLY 67 HN - ILE 82 HG12 [ 1.79 4.33] 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.02 0.00 0.00 0.07 0.00 0.00 0.00 0.11 0.00 0.00 0.05 0.00 0.00 - 5 [ 0.01 .. 0.11]
1035-> TRP 53 HE3 - TRP 70 HN [ 1.80 4.20] 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.12 0.05 0.00 0.00 0.00 0.00 0.10 - 5 [ 0.02 .. 0.12]
1074-> TRP 125 HH2 - LEU 137 HN [ 1.80 4.78] 0.11 0.05 0.04 0.00 0.00 0.00 0.00 0.00 0.06 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 - 6 [ 0.02 .. 0.11]
1082-> ASN 46 HD21 - TRP 53 HE1 [ 1.79 5.23] 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.08 0.03 0.00 0.00 0.00 0.00 0.06 - 5 [ 0.01 .. 0.11]
1112-> ARG 127 HN - ASN 128 HD22 [ 1.80 5.80] 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.00 0.00 0.10 0.02 0.05 0.02 0.00 0.02 0.02 0.04 0.00 - 10 [ 0.01 .. 0.10]
1211-> ASN 19 HD21 - VAL 129 HG1* [ 1.79 5.67] 0.00 0.14 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 0.00 0.00 - 2 [ 0.01 .. 0.14]
1393-> ILE 88 HN - ILE 88 HB [ 1.79 2.97] 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.67 .. 0.68]
1394-> ILE 88 HB - THR 89 HN [ 1.80 3.92] 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.16 .. 0.23]
1414-> PHE 121 HA - LEU 124 HN [ 1.79 3.59] 0.00 0.05 0.04 0.08 0.03 0.06 0.08 0.00 0.05 0.04 0.00 0.02 0.00 0.05 0.05 0.05 0.11 0.00 0.10 0.16 - 15 [ 0.02 .. 0.16]
1498-> ALA 98 HA - LYS 114 HA [ 1.80 4.12] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
1552-> GLU 12 HN - GLU 12 HG3 [ 1.79 3.67] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.36 .. 0.36]
1597-> GLN 37 HB2 - GLN 37 HG2 [ 1.79 3.01] 0.14 0.14 0.13 0.14 0.14 0.14 0.00 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.00 0.14 - 18 [ 0.13 .. 0.14]
1669-> GLU 96 HA - GLU 96 HG2 [ 1.79 3.51] 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.12 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 - 4 [ 0.07 .. 0.12]
1820-> LYS 47 HA - ASP 52 HB3 [ 1.79 5.23] 0.00 0.00 0.00 0.06 0.02 0.00 0.10 0.00 0.02 0.00 0.01 0.00 0.03 0.06 0.00 0.00 0.02 0.04 0.00 0.07 - 10 [ 0.01 .. 0.10]
1861-> HIS 73 HD2 - ASP 74 HB3 [ 1.80 6.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 - 3 [ 0.37 .. 0.97]
1890-> PRO 87 HG3 - THR 93 HB [ 1.80 6.50] 0.03 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.00 .. 0.12]
1919-> ARG 127 HD* - ASN 128 HD22 [ 1.79 6.85] 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.11]
2191-> LEU 134 HA - LEU 134 HD1* [ 1.80 3.54] 0.00 0.00 0.00 0.00 0.00 0.00 0.30 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 [ 0.30 .. 0.30]
2217-> LEU 153 HA - LEU 153 HD1* [ 1.80 3.46] 0.00 0.38 0.38 0.00 0.00 0.00 0.37 0.40 0.00 0.00 0.02 0.37 0.00 0.00 0.00 0.35 0.39 0.00 0.18 0.00 - 9 [ 0.02 .. 0.40]
2251-> VAL 10 HG1* - HIS 136 HD2 [ 1.80 4.90] 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 0.02 0.00 0.00 0.00 0.11 0.19 0.00 - 3 [ 0.02 .. 0.19]
2310-> ALA 20 HB* - TRP 28 HN [ 1.80 5.06] 0.23 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 0.03 0.00 0.00 - 2 [ 0.03 .. 0.23]
2449-> TRP 53 HH2 - ILE 82 HD1* [ 1.79 7.23] 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.11]
2460-> PHE 54 HB3 - ILE 82 HD1* [ 1.80 7.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 - 1 [ 0.22 .. 0.22]
2614-> TRP 65 HZ2 - LEU 134 HD2* [ 1.80 5.06] 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
2616-> TRP 65 HH2 - LEU 134 HD2* [ 1.80 5.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.44 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 [ 0.44 .. 0.44]
2625-> PRO 95 HG2 - LEU 134 HD1* [ 1.79 4.77] 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
2680-> TRP 53 HE3 - LEU 146 HD2* [ 1.79 7.23] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.02 - 3 [ 0.02 .. 0.11]
2712-> THR 106 HB - LEU 153 HD1* [ 1.80 4.12] 0.15 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.15]
2721-> LEU 153 HD1* - VAL 158 HB [ 1.79 4.81] 0.00 0.00 0.04 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.07 0.11 0.00 0.00 0.00 0.04 0.00 0.00 0.14 0.00 - 6 [ 0.03 .. 0.14]
2735-> TYR 78 HB2 - ILE 154 HG2* [ 1.80 7.52] 0.00 0.00 0.00 0.13 0.00 0.05 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.03 - 5 [ 0.03 .. 0.13]
2755-> ILE 154 HB - ILE 159 HD1* [ 1.80 7.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 - 1 [ 0.12 .. 0.12]
2761-> LEU 76 HD1* - HIS 161 HB3 [ 1.80 6.82] 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 0.21 0.31 0.00 - 2 [ 0.21 .. 0.31]
2763-> LEU 76 HD2* - GLU 163 HA [ 1.79 4.85] 0.00 0.00 0.08 0.00 0.05 0.23 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 - 5 [ 0.03 .. 0.23]
2902-> HIS 73 HD2 - ILE 154 HG2* [ 1.79 6.41] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.89 .. 0.89]
2996-> LYS 68 HD3 - TRP 70 HZ2 [ 1.80 6.50] 0.03 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.14 0.00 0.06 0.00 0.08 0.00 0.00 0.00 0.05 0.00 0.03 - 8 [ 0.03 .. 0.23]
3011-> TRP 145 HE3 - VAL 148 HB [ 1.80 6.50] 0.04 0.00 0.00 0.00 0.00 0.00 0.06 0.04 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.11 0.04 - 8 [ 0.00 .. 0.11]
3132-> GLN 30 HE22 - GLU 34 HG* [ 1.79 5.53] 0.00 0.11 0.00 0.18 0.00 0.05 0.00 0.13 0.13 0.04 0.06 0.07 0.00 0.02 0.11 0.00 0.00 0.00 0.02 0.08 - 13 [ 0.00 .. 0.18]
3399-> GLU 96 HB2 - LYS 114 HB* [ 1.80 5.12] 0.00 0.12 0.05 0.08 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 - 5 [ 0.01 .. 0.12]
3565-> ARG 7 O - SER 11 HN [ 1.80 2.30] 0.00 0.04 0.00 0.03 0.01 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 - 5 [ 0.01 .. 0.12]
3609-> HIS 73 HN - LEU 76 O [ 1.80 2.30] 0.00 0.00 0.00 0.00 0.00 0.14 0.06 0.00 0.00 0.00 0.05 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.03 .. 0.14]
3625-> GLY 141 O - TRP 145 HN [ 1.80 2.30] 0.00 0.00 0.09 0.00 0.04 0.00 0.00 0.00 0.01 0.00 0.10 0.00 0.02 0.02 0.11 0.01 0.00 0.00 0.06 0.06 - 11 [ 0.00 .. 0.11]
-------------------------------------------
Number of Violations greater than 0.10 6 9 9 10 5 9 15 9 7 9 8 12 8 8 9 5 6 9 13 7
-------------------------------------------
---- 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: 4 6 5 8 4 4 6 6 4 4 6 7 5 5 7 2 4 6 7 5 5.25
0.2 - 0.5 ang: 2 3 3 2 1 4 8 3 3 2 1 5 2 2 2 2 2 3 5 2 2.85
> 0.5 ang: 0 0 1 0 0 1 1 0 0 3 1 0 1 1 0 1 0 0 1 0 0.55
Total : 64 53 70 71 58 58 64 57 64 61 59 63 58 56 69 56 59 59 59 66 61.20
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 : 0.280 0.384 0.506 0.297 0.293 0.528 0.676 0.402 0.373 0.891 0.521 0.459 0.668 0.580 0.487 0.521 0.394 0.319 0.969 0.426 0.969
Max Intra Viol : 0.136 0.384 0.383 0.297 0.136 0.277 0.676 0.402 0.136 0.136 0.136 0.365 0.668 0.580 0.136 0.352 0.394 0.136 0.306 0.298 0.676
Max Seque Viol : 0.280 0.180 0.506 0.224 0.293 0.465 0.371 0.336 0.373 0.584 0.521 0.459 0.227 0.460 0.487 0.521 0.139 0.098 0.969 0.426 0.969
Max Medium Viol : 0.076 0.246 0.245 0.184 0.056 0.141 0.338 0.315 0.232 0.138 0.103 0.095 0.100 0.167 0.115 0.092 0.362 0.157 0.268 0.157 0.362
Max Long Viol : 0.228 0.153 0.098 0.125 0.176 0.528 0.461 0.112 0.094 0.891 0.352 0.109 0.101 0.326 0.383 0.098 0.083 0.319 0.312 0.098 0.891
Average Violation : 0.001 0.001 0.001 0.001 0.001 0.001 0.002 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 0.00103
Avge Intra Viol : 0.001 0.002 0.002 0.001 0.001 0.002 0.004 0.002 0.001 0.001 0.001 0.003 0.002 0.002 0.001 0.002 0.002 0.001 0.001 0.002 0.00173
Avge Seque Viol : 0.001 0.001 0.001 0.001 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 0.001 0.001 0.00076
Avge Mediu Viol : 0.001 0.000 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.002 0.001 0.001 0.001 0.001 0.001 0.000 0.002 0.001 0.00102
Avge Long Viol : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.000 0.001 0.001 0.001 0.000 0.000 0.001 0.001 0.001 0.000 0.001 0.001 0.001 0.00082
RMS Violation : 0.009 0.012 0.015 0.010 0.008 0.015 0.022 0.012 0.010 0.022 0.013 0.016 0.014 0.015 0.013 0.013 0.011 0.010 0.022 0.012 0.01421
RMS Intra : 0.009 0.019 0.022 0.014 0.011 0.014 0.034 0.017 0.009 0.008 0.011 0.025 0.028 0.024 0.009 0.018 0.017 0.011 0.015 0.015 0.01796
RMS Sequential : 0.005 0.010 0.010 0.010 0.003 0.006 0.012 0.012 0.012 0.007 0.006 0.006 0.006 0.008 0.008 0.006 0.013 0.006 0.011 0.008 0.00871
RMS Medium range : 0.011 0.007 0.019 0.009 0.010 0.018 0.018 0.014 0.013 0.031 0.019 0.021 0.010 0.017 0.017 0.018 0.007 0.005 0.038 0.016 0.01778
RMS Long range : 0.010 0.009 0.007 0.008 0.008 0.018 0.020 0.005 0.006 0.027 0.012 0.004 0.005 0.011 0.013 0.006 0.004 0.015 0.013 0.006 0.01199
Final --global-- Summary for 20 models, 3634 NOEs/model, 72680 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 74.892
Summ sq. viol : 14.682
Maximum viol : 0.969
Average viol : 0.00103
RMSD viol : 0.01421
Std. Dev. viol : 0.01418
RMS Intra : 0.01796
RMS Seque : 0.00871
RMS Medi : 0.01778
RMS Long : 0.01199
table of dihedral angle constraints violations
38-> [GLU A 35] PSI -59.0 -31.0 0.0 0.0 5.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 - 2 [ 0.0 .. 5.4]
163-> [ASP A 3] PSI -15.0 -155.0 0.0 0.0 0.0 0.0 22.7 0.0 25.1 18.2 0.0 20.0 0.0 32.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 32.6]
179-> [ASN A 19] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 12.4 - 2 [ 0.0 .. 12.4]
188-> [GLY A 21] PSI 155.0 85.0 3.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.6]
224-> [ASP A 74] PSI -85.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 19.7 0.0 15.0 0.0 18.4 0.0 0.0 21.1 - 4 [ 0.0 .. 21.1]
232-> [ILE A 86] PSI 55.0 85.0 0.0 3.2 1.9 2.4 3.6 4.5 0.9 0.8 1.5 2.9 3.0 9.8 0.0 1.5 0.6 9.4 2.8 1.7 0.5 1.1 - 19 [ 0.0 .. 9.8]
259-> [VAL A 99] PSI 145.0 85.0 0.0 0.0 1.5 0.0 3.6 0.0 0.0 3.9 0.0 1.9 0.0 1.8 0.0 0.0 0.1 0.0 2.1 3.5 14.7 4.3 - 11 [ 0.0 .. 14.7]
269-> [ASP A 103] PSI -15.0 -155.0 0.0 0.0 0.0 0.0 0.0 6.7 0.0 0.0 0.0 8.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.4 0.0 - 3 [ 0.0 .. 9.4]
280-> [ALA A 107] PSI -85.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 10.0]
298-> [LYS A 114] PSI 75.0 45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.8]
322-> [LYS A 131] PHI 175.0 75.0 3.5 0.0 2.0 8.1 1.4 0.0 10.6 0.0 2.5 0.0 0.6 4.8 10.0 10.0 2.8 11.7 2.4 3.5 3.3 0.0 - 15 [ 0.0 .. 11.7]
---- 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 : 2 1 4 2 3 2 0 2 3 3 1 3 1 2 1 2 3 3 2 2 2.10
> 10. degrees : 0 0 0 0 1 0 2 1 0 1 0 1 1 0 2 1 1 0 1 2 0.70
Total : 3 1 5 2 4 4 3 5 4 4 2 4 2 3 5 3 5 4 5 4 3.60
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 : 3.6 3.2 5.4 8.1 22.7 6.7 25.1 18.2 10.0 20.0 3.0 32.6 19.7 10.0 15.0 11.7 18.4 3.5 14.7 21.1 32.62
Max PHI Viol : 3.5 0.0 2.0 8.1 1.4 0.0 10.6 0.0 2.5 0.0 0.6 4.8 10.0 10.0 2.8 11.7 2.4 3.5 3.3 12.4 12.44
Max PSI Viol : 3.6 3.2 5.4 2.4 22.7 6.7 25.1 18.2 10.0 20.0 3.0 32.6 19.7 1.5 15.0 9.4 18.4 3.5 14.7 21.1 32.62
Average Violation : 0.0 0.0 0.0 0.0 0.1 0.0 0.1 0.1 0.0 0.1 0.0 0.1 0.1 0.0 0.1 0.1 0.1 0.0 0.1 0.1 0.060
Avge PHI Viol : 0.132 0.000 0.100 0.200 0.084 0.009 0.229 0.000 0.110 0.000 0.054 0.153 0.222 0.222 0.118 0.254 0.109 0.137 0.128 0.248 0.150
Avge PSI Viol : 0.151 0.142 0.241 0.123 0.430 0.263 0.402 0.432 0.271 0.455 0.136 0.524 0.350 0.109 0.399 0.242 0.382 0.180 0.392 0.406 0.327
RMS Violation : 0.265 0.170 0.331 0.445 1.220 0.420 1.429 1.042 0.544 1.154 0.158 1.804 1.157 0.530 0.957 0.791 0.988 0.277 0.929 1.305 0.919
RMS PHI Viol : 0.247 0.000 0.142 0.572 0.101 0.001 0.745 0.000 0.173 0.000 0.041 0.335 0.701 0.701 0.197 0.828 0.169 0.250 0.232 0.873 0.432
RMS PSI Viol : 0.286 0.256 0.471 0.190 1.831 0.632 1.978 1.566 0.795 1.735 0.234 2.687 1.552 0.123 1.421 0.742 1.473 0.309 1.372 1.699 1.294
Final --global-- Summary for 20 models, 364 ACOs/model, 7280 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 435.95
Summ. Sq. Viol. : 6145.86
Max. Viol. : 32.620
Avg. Viol. : 0.05988
RMS Viol. : 0.91881
Std. Dev. Viol. : 0.91686
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 0.198 0.862 0.495 0.351
ALA A 2 0.782 0.107
ASP A 3 0.332 0.619 0.427 0.877
GLU A 4 0.999 0.996 0.762 0.869 0.976 4 4
ALA A 5 1.000 0.999 5 5
THR A 6 0.999 1.000 0.999 6 6
ARG A 7 0.999 0.998 0.999 0.752 0.723 0.737 1.000 7 7
ARG A 8 1.000 0.999 0.935 0.999 0.998 0.837 1.000 8 8
VAL A 9 0.999 0.999 1.000 9 9
VAL A 10 0.999 0.998 1.000 10 10
SER A 11 0.998 0.996 0.766 11 11
GLU A 12 0.997 0.983 0.999 0.918 0.958 12 12
ILE A 13 1.000 1.000 1.000 0.999 13 13
PRO A 14 0.999 0.997 1.000 1.000 14 14
VAL A 15 0.991 0.996 1.000 15 15
LEU A 16 0.995 0.987 0.997 0.988 16 16
LYS A 17 0.984 0.974 0.929 0.929 1.000 0.999 17 17
THR A 18 0.956 0.767 0.933
ASN A 19 0.757 0.916 0.493 0.619
ALA A 20 0.908 0.577
GLY A 21 0.649 0.987
PRO A 22 0.993 0.996 0.914 0.837 22 22
ARG A 23 0.998 0.998 0.999 0.870 0.574 0.652 1.000 23 23
ASP A 24 0.996 0.995 0.998 0.978 24 24
ARG A 25 1.000 0.999 1.000 0.998 0.523 0.564 1.000 25 25
GLU A 26 1.000 1.000 0.816 1.000 1.000 26 26
LEU A 27 1.000 0.999 0.899 0.921 27 27
TRP A 28 1.000 0.998 0.999 0.995 28 28
VAL A 29 1.000 1.000 1.000 29 29
GLN A 30 1.000 1.000 0.882 0.917 0.706 30 30
ARG A 31 0.999 0.998 0.756 0.745 0.490 0.051 0.998 31 31
LEU A 32 1.000 0.999 0.999 1.000 32 32
LYS A 33 1.000 0.999 1.000 1.000 1.000 1.000 33 33
GLU A 34 1.000 0.997 0.998 0.684 0.869 34 34
GLU A 35 1.000 0.997 0.491 0.339 0.691 35 35
TYR A 36 1.000 0.999 0.997 0.434 36 36
GLN A 37 1.000 1.000 1.000 0.851 0.976 37 37
SER A 38 1.000 1.000 0.918 38 38
LEU A 39 1.000 1.000 1.000 1.000 39 39
ILE A 40 0.999 1.000 1.000 1.000 40 40
ARG A 41 0.999 0.998 0.700 0.612 0.773 0.979 1.000 41 41
TYR A 42 0.999 0.998 0.997 0.930 42 42
VAL A 43 1.000 1.000 1.000 43 43
GLU A 44 1.000 0.998 0.652 0.923 0.942 44 44
ASN A 45 0.999 1.000 0.999 0.951 45 45
ASN A 46 0.998 0.998 0.952 0.650 46 46
LYS A 47 1.000 1.000 1.000 0.999 0.866 1.000 47 47
ASN A 48 0.999 1.000 0.999 0.921 48 48
ALA A 49 0.999 0.995 49 49
ASP A 50 1.000 1.000 0.906 0.958 50 50
ASN A 51 0.989 0.927 0.999 0.979 51 51
ASP A 52 0.943 0.976 0.873 0.988 52 52
TRP A 53 0.920 0.862 0.435 0.400 53
PHE A 54 0.997 0.988 0.818 0.891 54 54
ARG A 55 0.986 0.998 0.709 0.929 0.927 0.830 1.000 55 55
LEU A 56 0.996 0.996 0.686 0.725 56 56
GLU A 57 0.997 0.998 0.999 0.823 0.997 57 57
SER A 58 0.990 0.999 0.998 58 58
ASN A 59 0.998 0.997 0.656 0.982 59 59
LYS A 60 0.998 0.997 0.872 1.000 1.000 1.000 60 60
GLU A 61 0.998 0.997 0.999 0.999 0.965 61 61
GLY A 62 0.997 0.996 62 62
THR A 63 0.995 0.997 1.000 63 63
ARG A 64 0.993 0.999 0.998 0.998 0.932 0.995 1.000 64 64
TRP A 65 0.999 0.999 0.999 0.995 65 65
PHE A 66 0.999 0.981 0.995 0.797 66 66
GLY A 67 0.975 0.993 67 67
LYS A 68 0.998 0.993 0.411 0.990 0.425 0.936 68 68
CYS A 69 0.997 0.994 0.092 69 69
TRP A 70 0.971 0.994 0.440 0.114 70 70
TYR A 71 0.994 0.996 0.920 0.991 71 71
ILE A 72 0.993 1.000 0.999 0.464 72 72
HIS A 73 0.988 0.997 0.998 0.716 73 73
ASP A 74 0.996 0.641 0.905 0.987
LEU A 75 0.602 0.994 0.998 0.999
LEU A 76 0.996 0.960 0.996 0.999 76 76
LYS A 77 0.986 0.990 0.999 0.999 0.999 0.999 77 77
TYR A 78 0.956 0.987 0.653 0.595 78 78
GLU A 79 0.985 0.994 0.186 0.995 0.723 79 79
PHE A 80 0.997 0.995 0.999 0.501 80 80
ASP A 81 0.998 0.997 0.655 0.984 81 81
ILE A 82 0.999 0.997 0.998 0.881 82 82
GLU A 83 0.990 0.998 0.711 0.999 0.890 83 83
PHE A 84 0.985 0.998 0.860 0.899 84 84
ASP A 85 0.997 0.978 0.545 0.932 85 85
ILE A 86 0.999 0.999 0.999 1.000 86 86
PRO A 87 0.992 0.992 0.904 0.820 87 87
ILE A 88 0.999 0.995 0.840 1.000 88 88
THR A 89 0.994 0.990 0.998 89 89
TYR A 90 0.990 0.999 0.998 0.995 90 90
PRO A 91 0.998 0.989 1.000 0.999 91 91
THR A 92 0.993 0.999 1.000 92 92
THR A 93 0.993 0.993 1.000 93 93
ALA A 94 0.993 1.000 94 94
PRO A 95 0.989 0.984 0.938 0.895 95 95
GLU A 96 0.994 0.880 0.998 0.809 0.844 96
ILE A 97 0.878 0.994 0.999 0.957 97
ALA A 98 0.985 0.596
VAL A 99 0.604 0.994 0.915
PRO A 100 0.994 0.996 0.951 0.909 100 100
GLU A 101 0.993 0.992 0.601 0.319 0.839 101 101
LEU A 102 0.980 0.937 0.999 0.999 102 102
ASP A 103 0.927 0.668 0.792 0.907
GLY A 104 0.612 0.977
LYS A 105 0.991 0.965 0.994 0.511 0.997 0.762 105 105
THR A 106 0.913 0.563 0.407
ALA A 107 0.696 0.184
LYS A 108 0.687 0.629 0.796 0.670 0.934 0.792
MET A 109 0.743 0.798 0.627 0.324 0.288
TYR A 110 0.774 0.334 0.543 0.576
ARG A 111 0.517 0.619 0.582 0.758 0.668 0.778 1.000
GLY A 112 0.634 0.371
GLY A 113 0.258 0.787
LYS A 114 0.823 0.940 0.624 0.786 0.805 0.811 114
ILE A 115 0.940 0.988 0.841 1.000 115 115
CYS A 116 0.972 0.960 0.735 116 116
LEU A 117 0.984 0.826 0.998 0.915 117
THR A 118 0.888 0.973 0.274 118
ASP A 119 0.987 0.978 0.749 0.987 119 119
HIS A 120 0.980 0.969 0.923 0.913 120 120
PHE A 121 1.000 0.999 0.997 0.998 121 121
LYS A 122 1.000 1.000 0.752 1.000 1.000 1.000 122 122
PRO A 123 1.000 0.999 1.000 1.000 123 123
LEU A 124 1.000 0.999 0.999 1.000 124 124
TRP A 125 0.999 1.000 0.997 0.997 125 125
ALA A 126 1.000 0.999 126 126
ARG A 127 0.999 0.999 0.648 0.568 1.000 0.936 1.000 127 127
ASN A 128 0.984 0.880 0.997 0.991 128
VAL A 129 0.882 0.999 0.998 129
PRO A 130 0.996 0.961 0.999 0.999 130 130
LYS A 131 0.994 0.901 0.999 0.999 1.000 1.000 131 131
PHE A 132 0.922 0.960 0.837 0.798 132 132
GLY A 133 0.967 0.977 133 133
LEU A 134 0.996 0.998 0.929 0.926 134 134
ALA A 135 0.999 1.000 135 135
HIS A 136 1.000 0.999 0.998 0.967 136 136
LEU A 137 1.000 0.997 0.997 0.999 137 137
MET A 138 1.000 1.000 0.869 0.714 0.240 138 138
ALA A 139 0.998 0.999 139 139
LEU A 140 0.993 0.992 0.998 0.998 140 140
GLY A 141 0.996 0.997 141 141
LEU A 142 0.999 0.999 0.999 1.000 142 142
GLY A 143 0.999 0.999 143 143
PRO A 144 0.995 0.997 0.916 0.829 144 144
TRP A 145 1.000 1.000 0.999 0.999 145 145
LEU A 146 0.999 1.000 1.000 1.000 146 146
ALA A 147 1.000 0.996 147 147
VAL A 148 0.993 0.999 1.000 148 148
GLU A 149 0.952 0.971 0.664 0.612 0.744 149 149
ILE A 150 1.000 0.999 0.999 0.486 150 150
PRO A 151 0.989 0.992 0.913 0.840 151 151
ASP A 152 1.000 0.999 1.000 1.000 152 152
LEU A 153 1.000 0.999 0.730 0.408 153 153
ILE A 154 1.000 1.000 1.000 0.999 154 154
GLN A 155 1.000 1.000 0.789 0.661 0.880 155 155
LYS A 156 0.996 0.995 0.811 0.999 0.999 0.932 156 156
GLY A 157 0.990 0.992 157 157
VAL A 158 0.977 0.975 0.536 158 158
ILE A 159 0.963 0.988 0.998 0.625 159 159
GLN A 160 0.818 0.829 0.578 0.571 0.844 160
HIS A 161 0.843 0.552 0.414 0.523
LYS A 162 0.772 0.350 0.421 0.736 0.998 0.995
GLU A 163 0.265 0.692 0.403 0.589 0.914
LYS A 164 0.955 0.980 0.569 0.861 0.934 0.998 164 164
CYS A 165 0.417 0.593 0.679
ASN A 166 0.837 0.305 0.321 0.784
GLN A 167 0.698 0.743 0.477 0.515 0.870
LEU A 168 0.968 0.640 0.615 0.648
GLU A 169 0.934 0.735 0.564 0.999 0.978
HIS A 170 0.832 0.677 0.359 0.649
HIS A 171 0.810 0.580 0.414 0.845
HIS A 172 0.885 0.450 0.486 0.355
HIS A 173 0.862 0.677 0.482 0.349
HIS A 174 0.873 0.319 0.388 0.515
HIS A 175 0.925 0.736 0.712
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_R3Cons_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 1 is: 0.911
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 2 is: 0.947
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 3 is: 1.012
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 4 is: 1.194
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 5 is: 0.671
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 6 is: 0.902
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 7 is: 0.852
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 8 is: 0.630 (*)
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 9 is: 0.863
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 10 is: 0.973
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 11 is: 0.748
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 12 is: 0.955
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 13 is: 0.788
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 14 is: 0.713
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 15 is: 0.991
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 16 is: 0.778
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 17 is: 0.769
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 18 is: 0.788
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 19 is: 1.009
> Kabsch RMSD of backbone atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 20 is: 0.965
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[4..17],[22..52],[54..73],[76..95],[100..102],[115..116],[119..127],[130..159], is: 0.873
> Range of RMSD values to reference struct. is 0.630 to 1.194
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 1 is: 1.284
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 2 is: 1.234
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 3 is: 1.234
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 4 is: 1.523
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 5 is: 0.958
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 6 is: 1.181
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 7 is: 1.160
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 8 is: 0.885 (*)
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 9 is: 1.088
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 10 is: 1.285
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 11 is: 1.026
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 12 is: 1.205
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 13 is: 1.228
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 14 is: 1.001
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 15 is: 1.265
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 16 is: 1.062
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 17 is: 1.068
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 18 is: 1.149
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 19 is: 1.294
> Kabsch RMSD of heavy atoms in res. A[4..17],A[22..52],A[54..73],A[76..95],A[100..102],A[115..116],A[119..127],A[130..159],for model 20 is: 1.300
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[4..17],[22..52],[54..73],[76..95],[100..102],[115..116],[119..127],[130..159], is: 1.171
> Range of RMSD values to reference struct. is 0.885 to 1.523
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..175],for model 1 is: 3.945
> Kabsch RMSD of backb atoms in res. *[1..175],for model 2 is: 3.091
> Kabsch RMSD of backb atoms in res. *[1..175],for model 3 is: 2.807
> Kabsch RMSD of backb atoms in res. *[1..175],for model 4 is: 2.472
> Kabsch RMSD of backb atoms in res. *[1..175],for model 5 is: 4.601
> Kabsch RMSD of backb atoms in res. *[1..175],for model 6 is: 4.292
> Kabsch RMSD of backb atoms in res. *[1..175],for model 7 is: 3.892
> Kabsch RMSD of backb atoms in res. *[1..175],for model 8 is: 3.166
> Kabsch RMSD of backb atoms in res. *[1..175],for model 9 is: 3.506
> Kabsch RMSD of backb atoms in res. *[1..175],for model 10 is: 3.106
> Kabsch RMSD of backb atoms in res. *[1..175],for model 11 is: 3.818
> Kabsch RMSD of backb atoms in res. *[1..175],for model 12 is: 3.974
> Kabsch RMSD of backb atoms in res. *[1..175],for model 13 is: 4.442
> Kabsch RMSD of backb atoms in res. *[1..175],for model 14 is: 4.556
> Kabsch RMSD of backb atoms in res. *[1..175],for model 15 is: 4.167
> Kabsch RMSD of backb atoms in res. *[1..175],for model 16 is: 4.386
> Kabsch RMSD of backb atoms in res. *[1..175],for model 17 is: 2.388
> Kabsch RMSD of backb atoms in res. *[1..175],for model 18 is: 4.976
> Kabsch RMSD of backb atoms in res. *[1..175],for model 19 is: 1.959 (*)
> Kabsch RMSD of backb atoms in res. *[1..175],for model 20 is: 2.214
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..175], is: 3.588
> Range of RMSD values to reference struct. is 1.959 to 4.976
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 1 is: 4.405
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 2 is: 3.645
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 3 is: 3.198
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 4 is: 2.967
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 5 is: 5.169
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 6 is: 5.017
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 7 is: 4.299
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 8 is: 3.625
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 9 is: 4.074
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 10 is: 3.588
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 11 is: 4.365
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 12 is: 4.567
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 13 is: 5.126
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 14 is: 5.150
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 15 is: 4.752
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 16 is: 4.863
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 17 is: 2.723
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 18 is: 5.618
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 19 is: 2.577 (*)
> Kabsch RMSD of heavy atoms in res. *[1..175],for model 20 is: 2.843
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..175], is: 4.129
> Range of RMSD values to reference struct. is 2.577 to 5.618
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 3.6 0.9 0.9
All heavy atoms 4.1 1.2 1.2
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_R3Cons_em_bcr3_020.rin 0.0 2700 residues |
| |
*| Ramachandran plot: 93.8% core 6.0% allow 0.1% gener 0.1% disall |
| |
+| All Ramachandrans: 46 labelled residues (out of2700) |
+| Chi1-chi2 plots: 11 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 0.94
5 0.97
6 1.18
7 1.01
8 1.05
9 0.66
10 0.73
11 0.93
12 -0.74
13 -2.34
14 -0.97
15 -1.73
16 -0.89
17 -1.23
22 -0.09
23 0.86
24 -0.23
25 1.06
26 0.87
27 0.38
28 1.15
29 1.05
30 1.22
31 1.09
32 1.05
33 1.15
34 0.99
35 0.98
36 1.20
37 1.20
38 1.19
39 1.04
40 1.00
41 1.00
42 0.85
43 1.01
44 0.97
45 1.38
46 1.01
47 1.20
48 0.76
49 -0.65
50 -0.27
51 -2.53
52 -0.72
54 0.03
55 -0.57
56 -0.62
57 -0.69
58 -0.20
59 -0.65
60 0.62
61 -0.38
62 0.82
63 -0.22
64 -0.52
65 -0.18
66 -0.29
67 -0.70
68 -0.26
69 -0.20
70 -0.22
71 -0.15
72 0.29
73 -0.38
76 -0.36
77 -0.54
78 0.26
79 -0.47
80 -0.11
81 -0.25
82 -0.43
83 -1.13
84 -0.35
85 -1.19
86 -2.31
87 -0.77
88 0.05
89 0.27
90 -0.56
91 -3.73
92 0.85
93 0.34
94 -0.32
95 0.12
96 -0.81
97 -0.59
100 0.24
101 0.49
102 -1.26
115 -1.32
116 -0.74
117 -0.94
118 -0.87
119 0.21
120 -0.30
121 1.22
122 0.46
123 0.11
124 1.07
125 1.07
126 0.81
127 0.92
128 -0.29
129 -0.64
130 -2.84
131 -2.49
132 -0.55
133 -0.90
134 0.62
135 0.90
136 1.37
137 0.92
138 0.96
139 -0.02
140 -0.92
141 -1.87
142 0.97
143 0.25
144 0.28
145 1.18
146 0.97
147 0.51
148 -0.43
149 -1.11
150 0.99
151 0.07
152 0.98
153 0.90
154 0.92
155 0.99
156 0.32
157 0.00
158 -0.82
159 -0.31
#Reported_Model_Average 0.047
#Overall_Average_Reported 0.047
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 0.85
5 0.97
6 0.83
7 0.91
8 1.04
9 0.60
10 0.60
11 0.78
12 0.17
13 -1.02
14 -0.97
15 -1.15
16 -0.96
17 -0.06
22 -0.09
23 0.93
24 -0.37
25 1.04
26 0.86
27 -0.28
28 0.57
29 0.87
30 0.94
31 0.66
32 0.89
33 1.21
34 0.97
35 0.56
36 0.19
37 1.12
38 0.66
39 0.74
40 0.95
41 0.42
42 0.31
43 0.83
44 0.93
45 1.17
46 0.54
47 1.17
48 0.87
49 -0.65
50 -0.18
51 -1.11
52 -0.18
54 -0.15
55 0.07
56 0.00
57 0.15
58 0.17
59 -0.12
60 0.94
61 0.40
62 0.82
63 0.04
64 0.11
65 -0.54
66 -0.17
67 -0.70
68 0.26
69 0.07
70 -0.20
71 0.13
72 0.31
73 0.27
76 0.18
77 0.14
78 0.00
79 -0.07
80 0.13
81 0.18
82 -0.47
83 -0.59
84 -0.32
85 -0.45
86 -1.20
87 -0.77
88 0.44
89 0.34
90 -0.15
91 -3.73
92 0.87
93 0.59
94 -0.32
95 0.12
96 0.03
97 0.07
100 0.24
101 0.29
102 -0.19
115 -0.61
116 -0.17
117 -0.08
118 -0.40
119 0.58
120 0.47
121 0.96
122 0.69
123 0.11
124 0.80
125 0.51
126 0.81
127 0.65
128 0.35
129 -0.05
130 -2.84
131 -0.81
132 -1.08
133 -0.90
134 0.44
135 0.90
136 0.76
137 0.62
138 0.83
139 -0.02
140 -0.05
141 -1.87
142 0.73
143 0.25
144 0.28
145 1.04
146 0.92
147 0.51
148 0.11
149 -0.40
150 0.58
151 0.07
152 1.06
153 0.49
154 0.91
155 0.89
156 0.74
157 0.00
158 -0.23
159 0.16
#Reported_Model_Average 0.186
#Overall_Average_Reported 0.186
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 0.60 0.60 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
5 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
6 0.39 0.39 0.39 0.39 0.39 -0.13 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 -0.13 -0.13 0.39 0.39 0.39 0.39
7 0.56 0.56 -0.20 -0.20 -0.20 0.56 -0.20 0.56 0.56 -0.20 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 0.56 0.56 1.10
8 0.56 0.56 -0.20 -0.20 -0.20 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 -0.20
9 -0.62 0.41 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.74 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 -0.62
10 0.30 0.30 -0.62 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
11 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
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 -0.46 0.28 0.28
13 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.81 0.93
14 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 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 -0.09 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.09 -0.74 -0.74 -0.09 -0.74 -0.09 -0.74
16 0.29 0.29 0.29 0.29 0.29 0.29 0.77 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 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
22 0.64 0.64 0.64 0.64 0.64 -0.07 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
23 -0.41 -0.41 0.24 -0.41 -0.41 0.24 -0.41 -0.41 -0.41 0.24 -0.41 0.24 -0.41 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41
24 0.51 0.34 0.34 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.51 0.51 0.34 0.51 0.51 0.51 0.23 0.51 0.51 0.51
25 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 -0.20 -0.20
26 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60
27 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46
28 1.01 1.01 0.86 1.11 1.01 1.01 1.01 0.86 1.01 1.01 1.01 1.01 1.01 1.01 1.11 1.01 1.01 1.01 0.86 1.01
29 -0.62 -1.25 -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
30 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
31 -0.11 -0.11 -0.11 -0.11 -0.11 -1.80 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11
32 0.16 0.16 0.16 0.71 0.71 0.71 0.16 0.16 0.16 0.16 0.71 0.71 0.16 0.71 0.71 0.71 0.71 0.71 0.16 0.71
33 0.07 0.66 0.07 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.07
34 0.09 0.09 0.09 0.09 0.09 0.09 -0.43 0.09 0.09 -0.43 0.09 0.62 0.62 0.09 0.09 0.09 0.09 0.09 0.09 0.09
35 -2.15 -0.58 -0.58 -2.15 -2.15 -0.58 -2.15 -2.15 -0.58 -0.58 -0.58 -2.15 -2.15 -2.15 -2.15 0.09 -2.15 -2.15 -2.15 -0.58
36 -0.55 -0.88 0.50 0.50 0.50 -0.88 -0.55 -0.55 -0.88 -0.88 -0.55 0.50 0.50 0.50 -0.88 0.50 0.86 -0.55 0.50 0.50
37 0.29 0.29 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.62 0.29 0.62 0.29
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 -2.36 -2.36 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -2.36 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
41 0.56 0.56 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 1.10 0.56
42 0.27 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 0.50 0.86 0.86 0.27 0.27
43 0.30 -0.62 -0.29 0.30 0.30 0.30 -0.62 -0.62 0.30 -0.62 0.30 0.30 0.30 -0.62 0.30 0.30 0.30 -0.62 -0.62 -0.62
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 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.02 -0.58 -0.58 -0.02
46 -0.48 -0.58 -0.58 -0.48 -0.58 -0.48 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.48 -0.58 -0.58 -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 0.07 0.66 0.66 0.66
48 0.32 0.32 0.32 0.32 0.32 0.32 -0.02 0.32 0.32 0.32 0.32 0.32 -0.02 0.32 0.32 0.32 0.32 0.32 -0.02 0.32
49 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 -0.02 0.44 0.44
50 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23
51 0.51 0.51 0.51 0.41 0.41 0.41 0.51 0.41 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.41 0.51 0.41 0.51
52 0.51 0.34 0.34 0.34 0.51 0.34 0.51 0.51 0.34 0.34 0.51 0.34 0.51 0.34 0.34 0.51 0.34 0.51 0.51 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 0.19 0.19 -1.12 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19 0.19 0.19 -1.12 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 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
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 -0.26 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
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 -0.10 -0.10
61 0.28 0.28 0.04 0.04 0.28 0.04 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.04
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 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
65 0.92 0.83 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 0.83 0.92 0.83 0.92
66 -0.56 0.37 -0.56 -0.56 -0.56 0.37 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 0.37 -0.56 -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 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
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 0.07 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 0.83 0.07 0.07
71 1.09 1.09 1.30 1.30 -0.30 1.09 1.09 1.09 1.30 1.09 1.09 1.09 1.09 1.30 1.09 1.09 1.30 1.09 1.30 1.09
72 -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 0.26 0.26 -0.35 -0.35 -0.35 -0.35 0.26
73 0.80 0.80 0.80 0.80 -0.49 0.80 0.80 0.80 -0.49 -0.49 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80
76 0.36 0.14 -1.33 0.36 0.14 0.36 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.81 0.14 0.14 0.36 0.36 0.14
77 0.55 0.55 0.35 0.55 0.55 0.55 -1.54 0.55 0.35 0.55 0.55 -2.01 0.55 0.55 0.55 0.55 0.55 0.55 0.55 -2.01
78 1.30 1.30 1.30 1.30 0.17 0.17 0.17 1.30 1.09 0.17 1.30 1.30 1.30 1.30 0.17 0.17 1.30 0.17 1.30 0.17
79 0.41 0.41 -0.42 0.41 -0.42 0.41 0.41 0.41 0.41 0.41 0.41 -0.42 0.41 -0.68 0.41 0.41 0.41 -0.68 0.41 -0.68
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 -0.30 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.30 -0.03 -0.03 -0.03 -0.30 -0.03 -0.03 -0.03 -0.30 -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 0.41 -0.42 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
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 -0.03 -0.30 -0.03 -0.03 -0.03 -0.03 -0.03 -0.30 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.30 -0.03 -0.30 -0.30 -0.30
86 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
87 0.44 0.44 0.44 0.44 0.44 0.64 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 -0.28 -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 0.52 1.14 0.52 1.14 1.14 1.14 0.52 1.14 0.52 0.52 0.52 1.14 1.14 0.52 0.52 0.52
91 -0.11 -0.07 -0.11 -0.11 0.64 0.64 -0.11 -0.11 -0.11 -0.11 0.44 -0.11 0.64 0.64 0.44 -0.11 -0.07 0.64 -0.11 -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 0.55 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 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 -0.07 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 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 -0.46
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 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 0.28 -0.46 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 1.29 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35
117 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 0.77 0.77 1.06 1.06 0.77 0.77 0.77 1.06 0.29 1.06 1.06
118 0.08 0.55 0.55 0.08 0.55 0.08 0.08 0.08 0.08 0.55 0.08 0.55 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 0.20 0.20 -0.41 0.20 0.20 -0.41 0.20 0.20 -0.41 -0.41 -0.41 -0.41 0.20 0.20 0.20 -0.41 -0.41 0.20 -0.41 0.20
121 1.28 1.28 1.28 1.28 1.28 0.87 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 0.87 1.28 0.87 1.28 1.28 0.87
122 0.07 0.66 0.07 0.07 0.66 0.07 0.07 0.07 0.07 0.07 0.66 0.07 0.66 0.07 0.66 0.07 0.07 0.07 0.07 0.66
123 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.41 -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 1.30 0.16 0.16 -0.46 0.71 -0.46 0.71 0.16 -0.30 -0.46 -0.46 0.16 0.71 0.16 -0.46 -0.46 -0.46 -0.46 -0.46 0.16
125 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.11 1.01 1.01 1.11 1.11 1.11 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 0.56 -0.20 -0.20 0.56 0.56 -0.20 0.56 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 -0.20 0.56 -0.20
128 -0.26 -0.26 -0.26 0.51 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 0.51 0.51
129 -0.09 0.66 -0.09 -0.40 -0.09 -0.09 0.66 -0.40 -0.09 -0.74 -0.74 -0.09 -0.40 -0.09 -0.09 -0.09 -0.09 -0.09 -0.74 -0.74
130 0.25 0.44 0.44 0.64 0.25 0.44 0.44 0.44 0.44 0.44 0.25 0.64 0.44 0.44 0.44 0.44 0.25 0.25 0.44 0.44
131 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 0.47 0.47 0.47
132 1.40 1.40 1.40 1.40 1.40 1.04 1.40 1.40 1.04 1.04 1.40 1.40 1.40 1.40 1.04 1.40 1.40 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 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34
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 0.71 1.30 0.71 1.30 1.30 1.30 1.30 1.30 0.71 1.30 0.71 1.30 1.30 1.30 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 -0.41 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25
145 1.01 1.11 1.11 1.11 1.11 1.11 1.11 1.01 1.01 1.11 1.11 1.01 1.11 1.11 1.11 1.01 1.11 1.11 1.11 1.11
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 -0.02 0.44 0.76 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 -0.02 0.44 0.44 0.76 0.76 -0.02
148 -0.62 -0.62 -0.62 -0.62 -0.62 -1.25 -1.25 -0.62 -0.62 -0.62 -1.25 -0.62 -0.62 -1.25 -1.25 -0.62 -0.62 -0.62 -1.25 -0.62
149 -0.43 -0.43 -0.58 -0.58 -0.58 0.09 -0.58 -0.43 -0.58 -0.43 -2.15 -0.58 0.09 0.09 0.62 0.09 0.62 -0.58 -0.58 -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 -0.41 -0.41 -0.25 -0.25 -0.25 -0.25 -0.25 -0.41 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.41 -0.41 -0.25
152 0.44 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.44 0.44 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
153 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30
154 0.55 1.11 1.11 0.55 0.55 0.55 1.11 0.55 0.55 0.55 1.11 0.55 0.55 0.55 0.55 0.55 1.11 0.55 0.55 -0.06
155 0.62 0.62 0.62 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.29
156 0.66 0.66 0.66 0.66 0.66 0.66 -0.50 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 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09
159 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
#Reported_Model_Average 0.419 0.443 0.392 0.413 0.396 0.398 0.398 0.411 0.415 0.396 0.417 0.386 0.440 0.423 0.415 0.422 0.427 0.387 0.405 0.371
#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 0.60 0.60 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
5 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
6 0.39 0.39 0.39 0.39 0.39 -0.13 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 -0.13 -0.13 0.39 0.39 0.39 0.39
7 0.56 0.56 -0.20 -0.20 -0.20 0.56 -0.20 0.56 0.56 -0.20 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 0.56 0.56 1.10
8 0.56 0.56 -0.20 -0.20 -0.20 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 -0.20
9 -0.62 0.41 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.74 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 -0.62
10 0.30 0.30 -0.62 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
11 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
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 -0.46 0.28 0.28
13 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.81 0.93
14 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 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 -0.09 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.09 -0.74 -0.74 -0.09 -0.74 -0.09 -0.74
16 0.29 0.29 0.29 0.29 0.29 0.29 0.77 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 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
22 0.64 0.64 0.64 0.64 0.64 -0.07 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
23 -0.41 -0.41 0.24 -0.41 -0.41 0.24 -0.41 -0.41 -0.41 0.24 -0.41 0.24 -0.41 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41
24 0.51 0.34 0.34 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.51 0.51 0.34 0.51 0.51 0.51 0.23 0.51 0.51 0.51
25 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 -0.20 -0.20
26 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60
27 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46
28 1.01 1.01 0.86 1.11 1.01 1.01 1.01 0.86 1.01 1.01 1.01 1.01 1.01 1.01 1.11 1.01 1.01 1.01 0.86 1.01
29 -0.62 -1.25 -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
30 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
31 -0.11 -0.11 -0.11 -0.11 -0.11 -1.80 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11 -0.11
32 0.16 0.16 0.16 0.71 0.71 0.71 0.16 0.16 0.16 0.16 0.71 0.71 0.16 0.71 0.71 0.71 0.71 0.71 0.16 0.71
33 0.07 0.66 0.07 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.07
34 0.09 0.09 0.09 0.09 0.09 0.09 -0.43 0.09 0.09 -0.43 0.09 0.62 0.62 0.09 0.09 0.09 0.09 0.09 0.09 0.09
35 -2.15 -0.58 -0.58 -2.15 -2.15 -0.58 -2.15 -2.15 -0.58 -0.58 -0.58 -2.15 -2.15 -2.15 -2.15 0.09 -2.15 -2.15 -2.15 -0.58
36 -0.55 -0.88 0.50 0.50 0.50 -0.88 -0.55 -0.55 -0.88 -0.88 -0.55 0.50 0.50 0.50 -0.88 0.50 0.86 -0.55 0.50 0.50
37 0.29 0.29 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.62 0.29 0.62 0.29
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 -2.36 -2.36 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -2.36 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
41 0.56 0.56 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 1.10 0.56
42 0.27 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 0.50 0.86 0.86 0.27 0.27
43 0.30 -0.62 -0.29 0.30 0.30 0.30 -0.62 -0.62 0.30 -0.62 0.30 0.30 0.30 -0.62 0.30 0.30 0.30 -0.62 -0.62 -0.62
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 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.02 -0.58 -0.58 -0.02
46 -0.48 -0.58 -0.58 -0.48 -0.58 -0.48 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.48 -0.58 -0.58 -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 0.07 0.66 0.66 0.66
48 0.32 0.32 0.32 0.32 0.32 0.32 -0.02 0.32 0.32 0.32 0.32 0.32 -0.02 0.32 0.32 0.32 0.32 0.32 -0.02 0.32
49 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 -0.02 0.44 0.44
50 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23
51 0.51 0.51 0.51 0.41 0.41 0.41 0.51 0.41 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.41 0.51 0.41 0.51
52 0.51 0.34 0.34 0.34 0.51 0.34 0.51 0.51 0.34 0.34 0.51 0.34 0.51 0.34 0.34 0.51 0.34 0.51 0.51 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 0.19 0.19 -1.12 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19 0.19 0.19 -1.12 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 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
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 -0.26 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
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 -0.10 -0.10
61 0.28 0.28 0.04 0.04 0.28 0.04 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.04
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 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
65 0.92 0.83 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 0.83 0.92 0.83 0.92
66 -0.56 0.37 -0.56 -0.56 -0.56 0.37 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 0.37 -0.56 -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 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
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 0.07 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 0.83 0.07 0.07
71 1.09 1.09 1.30 1.30 -0.30 1.09 1.09 1.09 1.30 1.09 1.09 1.09 1.09 1.30 1.09 1.09 1.30 1.09 1.30 1.09
72 -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 0.26 0.26 -0.35 -0.35 -0.35 -0.35 0.26
73 0.80 0.80 0.80 0.80 -0.49 0.80 0.80 0.80 -0.49 -0.49 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80
76 0.36 0.14 -1.33 0.36 0.14 0.36 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.81 0.14 0.14 0.36 0.36 0.14
77 0.55 0.55 0.35 0.55 0.55 0.55 -1.54 0.55 0.35 0.55 0.55 -2.01 0.55 0.55 0.55 0.55 0.55 0.55 0.55 -2.01
78 1.30 1.30 1.30 1.30 0.17 0.17 0.17 1.30 1.09 0.17 1.30 1.30 1.30 1.30 0.17 0.17 1.30 0.17 1.30 0.17
79 0.41 0.41 -0.42 0.41 -0.42 0.41 0.41 0.41 0.41 0.41 0.41 -0.42 0.41 -0.68 0.41 0.41 0.41 -0.68 0.41 -0.68
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 -0.30 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.30 -0.03 -0.03 -0.03 -0.30 -0.03 -0.03 -0.03 -0.30 -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 0.41 -0.42 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
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 -0.03 -0.30 -0.03 -0.03 -0.03 -0.03 -0.03 -0.30 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.30 -0.03 -0.30 -0.30 -0.30
86 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
87 0.44 0.44 0.44 0.44 0.44 0.64 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 -0.28 -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 0.52 1.14 0.52 1.14 1.14 1.14 0.52 1.14 0.52 0.52 0.52 1.14 1.14 0.52 0.52 0.52
91 -0.11 -0.07 -0.11 -0.11 0.64 0.64 -0.11 -0.11 -0.11 -0.11 0.44 -0.11 0.64 0.64 0.44 -0.11 -0.07 0.64 -0.11 -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 0.55 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 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 -0.07 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 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 -0.46
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 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 0.28 -0.46 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 1.29 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35
117 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 0.77 0.77 1.06 1.06 0.77 0.77 0.77 1.06 0.29 1.06 1.06
118 0.08 0.55 0.55 0.08 0.55 0.08 0.08 0.08 0.08 0.55 0.08 0.55 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 0.20 0.20 -0.41 0.20 0.20 -0.41 0.20 0.20 -0.41 -0.41 -0.41 -0.41 0.20 0.20 0.20 -0.41 -0.41 0.20 -0.41 0.20
121 1.28 1.28 1.28 1.28 1.28 0.87 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 0.87 1.28 0.87 1.28 1.28 0.87
122 0.07 0.66 0.07 0.07 0.66 0.07 0.07 0.07 0.07 0.07 0.66 0.07 0.66 0.07 0.66 0.07 0.07 0.07 0.07 0.66
123 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.41 -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 1.30 0.16 0.16 -0.46 0.71 -0.46 0.71 0.16 -0.30 -0.46 -0.46 0.16 0.71 0.16 -0.46 -0.46 -0.46 -0.46 -0.46 0.16
125 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.11 1.01 1.01 1.11 1.11 1.11 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 0.56 -0.20 -0.20 0.56 0.56 -0.20 0.56 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 -0.20 0.56 -0.20
128 -0.26 -0.26 -0.26 0.51 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 0.51 0.51
129 -0.09 0.66 -0.09 -0.40 -0.09 -0.09 0.66 -0.40 -0.09 -0.74 -0.74 -0.09 -0.40 -0.09 -0.09 -0.09 -0.09 -0.09 -0.74 -0.74
130 0.25 0.44 0.44 0.64 0.25 0.44 0.44 0.44 0.44 0.44 0.25 0.64 0.44 0.44 0.44 0.44 0.25 0.25 0.44 0.44
131 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 0.47 0.47 0.47
132 1.40 1.40 1.40 1.40 1.40 1.04 1.40 1.40 1.04 1.04 1.40 1.40 1.40 1.40 1.04 1.40 1.40 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 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34 -0.34
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 0.71 1.30 0.71 1.30 1.30 1.30 1.30 1.30 0.71 1.30 0.71 1.30 1.30 1.30 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 -0.41 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25
145 1.01 1.11 1.11 1.11 1.11 1.11 1.11 1.01 1.01 1.11 1.11 1.01 1.11 1.11 1.11 1.01 1.11 1.11 1.11 1.11
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 -0.02 0.44 0.76 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 -0.02 0.44 0.44 0.76 0.76 -0.02
148 -0.62 -0.62 -0.62 -0.62 -0.62 -1.25 -1.25 -0.62 -0.62 -0.62 -1.25 -0.62 -0.62 -1.25 -1.25 -0.62 -0.62 -0.62 -1.25 -0.62
149 -0.43 -0.43 -0.58 -0.58 -0.58 0.09 -0.58 -0.43 -0.58 -0.43 -2.15 -0.58 0.09 0.09 0.62 0.09 0.62 -0.58 -0.58 -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 -0.41 -0.41 -0.25 -0.25 -0.25 -0.25 -0.25 -0.41 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.41 -0.41 -0.25
152 0.44 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.44 0.44 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
153 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30
154 0.55 1.11 1.11 0.55 0.55 0.55 1.11 0.55 0.55 0.55 1.11 0.55 0.55 0.55 0.55 0.55 1.11 0.55 0.55 -0.06
155 0.62 0.62 0.62 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.29
156 0.66 0.66 0.66 0.66 0.66 0.66 -0.50 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 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09
159 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
#Reported_Model_Average 0.419 0.443 0.392 0.413 0.396 0.398 0.398 0.411 0.415 0.396 0.417 0.386 0.440 0.423 0.415 0.422 0.427 0.387 0.405 0.371
#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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
5.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
6.000 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1
7.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
8.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
9.000 0 1 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0
10.000 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
13.000 0 1 0 0 0 1 1 0 0 1 1 2 0 1 1 0 0 1 0 0
14.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
15.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
16.000 1 0 2 0 0 0 2 0 1 0 0 0 0 0 0 0 1 0 0 0
17.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
22.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
23.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
24.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
25.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
26.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
27.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
28.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
29.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
30.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
31.000 1 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 1 3 0 0
32.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
34.000 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
35.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
36.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
37.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
38.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
39.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1
40.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
41.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
42.000 0 0 0 0 0 1 2 0 0 0 1 1 0 1 1 0 0 1 1 0
43.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
44.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
45.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
46.000 0 0 1 1 1 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1
47.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
48.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
49.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
50.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
51.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
52.000 0 0 0 1 1 0 0 0 0 0 0 0 0 2 0 0 0 1 0 2
54.000 0 1 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0
55.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
56.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
57.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
58.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
59.000 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0
60.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
61.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
62.000 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0
63.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
64.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
65.000 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
66.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
67.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
68.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
69.000 1 0 1 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0
70.000 0 0 0 0 1 1 0 0 0 0 0 0 1 2 0 0 0 0 0 1
71.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
72.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
73.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
76.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1
77.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
78.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 2 0 0
79.000 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0
80.000 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
81.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
82.000 2 0 0 0 1 1 2 3 1 0 0 0 0 0 0 2 0 1 0 1
83.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
84.000 1 1 1 1 1 2 1 1 1 1 0 1 1 1 1 1 1 1 1 0
85.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
86.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
87.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
88.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
89.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 2 0 0 0
90.000 0 0 0 0 0 0 1 1 1 1 0 1 0 1 0 1 2 0 0 0
91.000 0 0 0 0 0 0 1 1 1 1 0 0 0 1 0 1 1 0 0 0
92.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
93.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
94.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
95.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
96.000 0 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 1
97.000 2 1 2 2 1 3 1 1 1 1 1 2 1 1 2 1 1 1 1 0
100.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
101.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
102.000 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0
115.000 0 0 3 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0
116.000 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
117.000 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0
118.000 1 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 1 0 0
119.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
120.000 1 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 1 0 0
121.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
122.000 2 0 1 0 1 0 1 1 0 1 1 1 1 0 2 2 0 2 1 1
123.000 2 0 1 0 1 0 1 1 0 1 1 1 1 0 2 2 0 2 1 1
124.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
125.000 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 1 1 0
126.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
127.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
128.000 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0
129.000 1 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 0
130.000 2 0 2 1 2 0 3 1 2 2 2 2 3 3 2 3 2 2 2 0
131.000 1 0 1 1 1 0 2 0 1 1 1 1 2 2 1 2 1 1 1 0
132.000 0 0 0 2 0 1 2 0 2 0 1 0 0 1 2 0 2 1 0 0
133.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
134.000 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1
135.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0
136.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
137.000 0 0 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
138.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
139.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
140.000 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
141.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
142.000 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
143.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
144.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
145.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
146.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
147.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
148.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
149.000 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 2
150.000 1 2 1 1 1 2 1 2 1 1 1 1 1 1 2 0 1 2 1 1
151.000 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 0 1 2 1 1
152.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
153.000 2 0 0 2 1 1 0 0 0 0 0 1 1 1 0 0 0 2 2 1
154.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0
155.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
156.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0
159.000 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0
#Reported_Model_Average 0.193 0.089 0.252 0.156 0.170 0.148 0.207 0.170 0.133 0.133 0.119 0.193 0.200 0.200 0.185 0.141 0.170 0.230 0.148 0.156
#Overall_Average_Reported 0.170
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 153 LEU HG :A 158 VAL HB : -0.536: 0
: 2868:A 106 THR HA :A 153 LEU CD1 : -0.406: 0
: 2868:A 69 CYS SG :A 82 ILE 3HD1 : -0.526: 0
: 2868:A 99 VAL HA :A 82 ILE HA : -0.488: 0
: 2868:A 97 ILE 2HG2 :A 99 VAL 3HG2 : -0.472: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.410: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.446: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.402: 0
: 2868:A 118 THR 2HG2 :A 120 HIS H : -0.444: 0
: 2868:A 151 PRO CD :A 150 ILE N : -0.434: 0
: 2868:A 31 ARG NH1 :A 20 ALA 3HB : -0.423: 0
: 2868:A 16 LEU HG :A 34 GLU 2HB : -0.419: 0
: 2868:A 123 PRO CD :A 122 LYS 2HB : -0.415: 0
: 2868:A 10 VAL 1HG2 :A 140 LEU 1HD2 : -0.415: 0
: 2868:A 123 PRO 1HD :A 122 LYS N : -0.403: 0
: 2868:A 114 LYS HA :A 98 ALA HA : -0.412: 0
#sum2 ::5.58 clashscore : 5.58 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320622 potential dots:20040.0 A^2:16 bumps:16 bumps B<40:1070 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 109 MET SD :A 109 MET O : -0.499: 0
: 2868:A 109 MET SD :A 109 MET C : -0.459: 0
: 2868:A 116 CYS 1HB :A 109 MET HA : -0.418: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.498: 0
: 2868:A 151 PRO 1HD :A 150 ILE N : -0.496: 0
: 2868:A 150 ILE N :A 151 PRO CD : -0.438: 0
: 2868:A 54 PHE 2HB :A 53 TRP CE3 : -0.458: 0
: 2868:A 13 ILE 2HD1 :A 9 VAL 3HG1 : -0.445: 0
: 2868:A 110 TYR N :A 110 TYR CD1 : -0.431: 0
: 2868:A 143 GLY N :A 144 PRO 1HD : -0.400: 0
#sum2 ::3.49 clashscore : 3.49 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320521 potential dots:20030.0 A^2:10 bumps:10 bumps B<40:1059 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 84 PHE 1HB :A 65 TRP 1HB : -0.473: 0
: 2868:A 151 PRO CD :A 150 ILE N : -0.465: 0
: 2868:A 63 THR HA :A 86 ILE HB : -0.458: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.456: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.403: 0
: 2868:A 35 GLU 2HB :A 16 LEU 1HD2 : -0.445: 0
: 2868:A 16 LEU HG :A 34 GLU CB : -0.418: 0
: 2868:A 145 TRP CZ2 :A 115 ILE HB : -0.440: 0
: 2868:A 97 ILE 1HD1 :A 137 LEU 1HD1 : -0.423: 0
: 2868:A 115 ILE 1HG1 :A 97 ILE HB : -0.413: 0
: 2868:A 116 CYS 1HB :A 109 MET HA : -0.402: 0
: 2868:A 109 MET 1HB :A 115 ILE HA : -0.401: 0
: 2868:A 142 LEU O :A 146 LEU HG : -0.427: 0
: 2868:A 123 PRO 1HD :A 122 LYS N : -0.424: 0
: 2868:A 51 ASN O :A 46 ASN 2HB : -0.411: 0
: 2868:A 94 ALA HA :A 125 TRP CZ2 : -0.408: 0
: 2868:A 69 CYS SG :A 80 PHE 1HB : -0.404: 0
: 2868:A 31 ARG 2HG :A 31 ARG 1HH1 : -0.400: 0
#sum2 ::6.28 clashscore : 6.28 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320483 potential dots:20030.0 A^2:18 bumps:18 bumps B<40:1022 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 52 ASP HA :A 46 ASN 2HB : -0.527: 0
: 2868:A 153 LEU HG :A 158 VAL HB : -0.489: 0
: 2868:A 106 THR HB :A 153 LEU 2HD2 : -0.405: 0
: 2868:A 151 PRO 1HD :A 150 ILE N : -0.483: 0
: 2868:A 84 PHE 1HB :A 65 TRP 1HB : -0.481: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.460: 0
: 2868:A 95 PRO 1HG :A 137 LEU 2HD2 : -0.451: 0
: 2868:A 115 ILE 1HG1 :A 97 ILE HB : -0.413: 0
: 2868:A 137 LEU HG :A 97 ILE 1HD1 : -0.411: 0
: 2868:A 132 PHE HD1 :A 132 PHE HA : -0.446: 0
: 2868:A 140 LEU 3HD2 :A 6 THR 1HG2 : -0.406: 0
#sum2 ::3.84 clashscore : 3.84 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320301 potential dots:20020.0 A^2:11 bumps:11 bumps B<40:1003 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 : -0.525: 0
: 2868:A 116 CYS HA :A 110 TYR CZ : -0.509: 0
: 2868:A 96 GLU 1HB :A 114 LYS 2HD : -0.426: 0
: 2868:A 114 LYS O :A 110 TYR N : -0.417: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.488: 0
: 2868:A 79 GLU 2HB :A 70 TRP CD1 : -0.456: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.435: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.432: 0
: 2868:A 62 GLY N :A 59 ASN OD1 : -0.431: 0
: 2868:A 52 ASP HA :A 46 ASN 2HB : -0.426: 0
: 2868:A 123 PRO 1HD :A 122 LYS N : -0.420: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.419: 0
: 2868:A 137 LEU 2HB :A 134 LEU O : -0.410: 0
: 2868:A 150 ILE N :A 151 PRO CD : -0.400: 0
#sum2 ::4.88 clashscore : 4.88 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320666 potential dots:20040.0 A^2:14 bumps:14 bumps B<40:1110 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 13 ILE 1HG1 :A 42 TYR 1HB : -0.538: 0
: 2868:A 79 GLU 2HB :A 70 TRP CD1 : -0.503: 0
: 2868:A 97 ILE HA :A 84 PHE CB : -0.495: 0
: 2868:A 102 LEU HA :A 105 LYS 1HB : -0.464: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.440: 0
: 2868:A 99 VAL 2HG1 :A 102 LEU H : -0.424: 0
: 2868:A 97 ILE 2HG2 :A 99 VAL 3HG2 : -0.422: 0
: 2868:A 99 VAL 3HG1 :A 82 ILE 2HG2 : -0.414: 0
: 2868:A 132 PHE 1HB :A 128 ASN 2HB : -0.477: 0
: 2868:A 151 PRO CD :A 150 ILE N : -0.429: 0
: 2868:A 150 ILE HB :A 151 PRO 2HD : -0.400: 0
: 2868:A 153 LEU HG :A 158 VAL HB : -0.421: 0
: 2868:A 109 MET 2HG :A 103 ASP HA : -0.409: 0
#sum2 ::4.53 clashscore : 4.53 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320651 potential dots:20040.0 A^2:13 bumps:13 bumps B<40:1053 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.570: 0
: 2868:A 130 PRO O :A 131 LYS CB : -0.497: 0
: 2868:A 130 PRO 2HB :A 19 ASN 1HB : -0.402: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.532: 0
: 2868:A 108 LYS O :A 109 MET 1HB : -0.481: 0
: 2868:A 151 PRO CD :A 150 ILE N : -0.475: 0
: 2868:A 164 LYS 1HE :A 160 GLN HA : -0.452: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.442: 0
: 2868:A 13 ILE 2HD1 :A 9 VAL 3HG1 : -0.440: 0
: 2868:A 16 LEU 2HD1 :A 16 LEU N : -0.438: 0
: 2868:A 99 VAL HA :A 82 ILE HA : -0.436: 0
: 2868:A 69 CYS SG :A 82 ILE 3HD1 : -0.418: 0
: 2868:A 132 PHE HD1 :A 132 PHE HA : -0.434: 0
: 2868:A 42 TYR C :A 42 TYR CD1 : -0.415: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.404: 0
: 2868:A 59 ASN OD1 :A 62 GLY N : -0.403: 0
: 2868:A 122 LYS N :A 123 PRO 1HD : -0.401: 0
#sum2 ::5.93 clashscore : 5.93 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320396 potential dots:20020.0 A^2:17 bumps:17 bumps B<40:1059 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 53 TRP O :A 53 TRP CE3 : -0.581: 0
: 2868:A 53 TRP O :A 53 TRP HE3 : -0.529: 0
: 2868:A 31 ARG 1HH1 :A 31 ARG 1HG : -0.520: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.505: 0
: 2868:A 150 ILE HB :A 151 PRO 2HD : -0.472: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.472: 0
: 2868:A 150 ILE N :A 151 PRO CD : -0.429: 0
: 2868:A 118 THR 2HG2 :A 120 HIS H : -0.467: 0
: 2868:A 113 GLY 2HA :A 98 ALA HA : -0.449: 0
: 2868:A 159 ILE 2HG2 :A 78 TYR CE2 : -0.437: 0
: 2868:A 91 PRO HA :A 90 TYR CG : -0.415: 0
: 2868:A 103 ASP HA :A 109 MET 1HG : -0.413: 0
: 2868:A 122 LYS N :A 123 PRO 1HD : -0.411: 0
: 2868:A 82 ILE 2HD1 :A 82 ILE C : -0.409: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.400: 0
: 2868:A 75 LEU 2HB :A 165 CYS 1HB : -0.405: 0
: 2868:A 10 VAL 3HG2 :A 6 THR O : -0.403: 0
#sum2 ::5.93 clashscore : 5.93 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320875 potential dots:20050.0 A^2:17 bumps:17 bumps B<40:1059 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.535: 0
: 2868:A 150 ILE HB :A 151 PRO 2HD : -0.470: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.457: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.448: 0
: 2868:A 132 PHE CE2 :A 136 HIS 1HB : -0.448: 0
: 2868:A 125 TRP CZ3 :A 132 PHE CE2 : -0.431: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.411: 0
: 2868:A 165 CYS 2HB :A 164 LYS O : -0.440: 0
: 2868:A 16 LEU HG :A 34 GLU 2HB : -0.431: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.429: 0
: 2868:A 54 PHE 2HB :A 53 TRP CE3 : -0.408: 0
#sum2 ::3.84 clashscore : 3.84 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320713 potential dots:20040.0 A^2:11 bumps:11 bumps B<40:1101 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.534: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.470: 0
: 2868:A 131 LYS 1HB :A 130 PRO O : -0.401: 0
: 2868:A 151 PRO CD :A 150 ILE N : -0.464: 0
: 2868:A 56 LEU 1HB :A 54 PHE CZ : -0.457: 0
: 2868:A 13 ILE 3HG2 :A 38 SER 1HB : -0.440: 0
: 2868:A 123 PRO 1HD :A 122 LYS N : -0.432: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.413: 0
: 2868:A 159 ILE HB :A 154 ILE 1HG1 : -0.404: 0
#sum2 ::3.14 clashscore : 3.14 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320447 potential dots:20030.0 A^2:9 bumps:9 bumps B<40:1043 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.497: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.454: 0
: 2868:A 13 ILE 1HG1 :A 42 TYR 1HB : -0.495: 0
: 2868:A 150 ILE HB :A 151 PRO 2HD : -0.471: 0
: 2868:A 132 PHE CD1 :A 128 ASN 2HB : -0.443: 0
: 2868:A 118 THR 2HG2 :A 120 HIS H : -0.438: 0
: 2868:A 109 MET SD :A 103 ASP HA : -0.422: 0
: 2868:A 97 ILE 2HD1 :A 142 LEU 1HB : -0.412: 0
: 2868:A 123 PRO 1HD :A 122 LYS N : -0.411: 0
#sum2 ::3.14 clashscore : 3.14 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320480 potential dots:20030.0 A^2:9 bumps:9 bumps B<40:1060 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 13 ILE 1HG1 :A 42 TYR 1HB : -0.509: 0
: 2868:A 13 ILE 2HD1 :A 9 VAL 3HG1 : -0.469: 0
: 2868:A 118 THR 2HG2 :A 120 HIS H : -0.464: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.462: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.462: 0
: 2868:A 96 GLU 1HB :A 114 LYS 2HD : -0.460: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.459: 0
: 2868:A 96 GLU O :A 97 ILE HB : -0.440: 0
: 2868:A 114 LYS HA :A 98 ALA HA : -0.432: 0
: 2868:A 150 ILE HB :A 151 PRO 2HD : -0.443: 0
: 2868:A 153 LEU 2HD2 :A 158 VAL 1HG2 : -0.424: 0
: 2868:A 54 PHE 2HB :A 53 TRP CE3 : -0.422: 0
: 2868:A 59 ASN OD1 :A 62 GLY N : -0.415: 0
: 2868:A 122 LYS 2HB :A 123 PRO CD : -0.409: 0
: 2868:A 89 THR O :A 90 TYR C : -0.409: 0
#sum2 ::5.23 clashscore : 5.23 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320395 potential dots:20020.0 A^2:15 bumps:15 bumps B<40:1082 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 149 GLU O :A 149 GLU 1HG : -0.646: 0
: 2868:A 149 GLU CG :A 149 GLU O : -0.545: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.560: 0
: 2868:A 130 PRO O :A 131 LYS CB : -0.496: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.468: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.557: 0
: 2868:A 151 PRO 1HD :A 150 ILE N : -0.468: 0
: 2868:A 79 GLU 2HB :A 70 TRP CD1 : -0.435: 0
: 2868:A 9 VAL 1HG1 :A 140 LEU HG : -0.427: 0
: 2868:A 110 TYR O :A 111 ARG 1HB : -0.425: 0
: 2868:A 134 LEU O :A 137 LEU 2HB : -0.424: 0
: 2868:A 159 ILE 1HD1 :A 153 LEU 3HD2 : -0.423: 0
: 2868:A 99 VAL N :A 100 PRO 2HD : -0.419: 0
: 2868:A 123 PRO 2HD :A 122 LYS 2HB : -0.406: 0
: 2868:A 69 CYS SG :A 80 PHE 1HB : -0.405: 0
#sum2 ::5.23 clashscore : 5.23 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320463 potential dots:20030.0 A^2:15 bumps:15 bumps B<40:1069 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.533: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.528: 0
: 2868:A 130 PRO O :A 131 LYS CB : -0.474: 0
: 2868:A 13 ILE 1HG1 :A 42 TYR 1HB : -0.498: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.495: 0
: 2868:A 150 ILE HB :A 151 PRO 2HD : -0.490: 0
: 2868:A 117 LEU 2HD2 :A 117 LEU N : -0.487: 0
: 2868:A 153 LEU HG :A 158 VAL HB : -0.475: 0
: 2868:A 52 ASP O :A 70 TRP NE1 : -0.464: 0
: 2868:A 79 GLU HA :A 70 TRP 2HB : -0.462: 0
: 2868:A 52 ASP HA :A 46 ASN 2HB : -0.408: 0
: 2868:A 132 PHE CD1 :A 128 ASN 2HB : -0.450: 0
: 2868:A 114 LYS HA :A 98 ALA HA : -0.441: 0
: 2868:A 108 LYS O :A 109 MET 1HB : -0.436: 0
: 2868:A 124 LEU 1HB :A 1 MET SD : -0.410: 0
: 2868:A 91 PRO HA :A 90 TYR HA : -0.402: 0
#sum2 ::5.58 clashscore : 5.58 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320617 potential dots:20040.0 A^2:16 bumps:16 bumps B<40:1018 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 51 ASN O :A 46 ASN 2HB : -0.560: 0
: 2868:A 114 LYS HA :A 98 ALA HA : -0.541: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.496: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.436: 0
: 2868:A 151 PRO CD :A 150 ILE N : -0.472: 0
: 2868:A 78 TYR CE1 :A 150 ILE 1HG2 : -0.421: 0
: 2868:A 13 ILE 1HG1 :A 42 TYR 1HB : -0.470: 0
: 2868:A 132 PHE HD1 :A 132 PHE HA : -0.455: 0
: 2868:A 115 ILE 2HD1 :A 97 ILE HB : -0.447: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.433: 0
: 2868:A 39 LEU 3HD2 :A 135 ALA 2HB : -0.440: 0
: 2868:A 123 PRO 1HD :A 122 LYS N : -0.426: 0
: 2868:A 122 LYS 2HB :A 123 PRO CD : -0.400: 0
: 2868:A 77 LYS 1HB :A 164 LYS 1HG : -0.402: 0
#sum2 ::4.88 clashscore : 4.88 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320568 potential dots:20040.0 A^2:14 bumps:14 bumps B<40:1004 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.562: 0
: 2868:A 130 PRO O :A 131 LYS CB : -0.494: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.491: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.535: 0
: 2868:A 71 TYR CE1 :A 147 ALA HA : -0.424: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.422: 0
: 2868:A 69 CYS SG :A 82 ILE 3HD1 : -0.410: 0
: 2868:A 91 PRO HA :A 90 TYR CD1 : -0.420: 0
: 2868:A 123 PRO 1HD :A 122 LYS N : -0.417: 0
: 2868:A 123 PRO CD :A 122 LYS 2HB : -0.405: 0
: 2868:A 114 LYS HA :A 98 ALA HA : -0.404: 0
#sum2 ::3.84 clashscore : 3.84 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320314 potential dots:20020.0 A^2:11 bumps:11 bumps B<40:1093 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.564: 0
: 2868:A 89 THR HB :A 92 THR HB : -0.475: 0
: 2868:A 90 TYR C :A 89 THR O : -0.426: 0
: 2868:A 91 PRO HA :A 90 TYR HA : -0.402: 0
: 2868:A 114 LYS HA :A 98 ALA HA : -0.474: 0
: 2868:A 35 GLU 2HB :A 16 LEU 1HD2 : -0.474: 0
: 2868:A 132 PHE HD1 :A 132 PHE HA : -0.468: 0
: 2868:A 151 PRO 1HD :A 150 ILE N : -0.466: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.456: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.455: 0
: 2868:A 31 ARG 2HG :A 20 ALA H : -0.454: 0
: 2868:A 63 THR HA :A 86 ILE HB : -0.440: 0
: 2868:A 163 GLU 2HB :A 166 ASN 1HB : -0.404: 0
: 2868:A 59 ASN OD1 :A 62 GLY N : -0.401: 0
#sum2 ::4.88 clashscore : 4.88 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320528 potential dots:20030.0 A^2:14 bumps:14 bumps B<40:1126 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 31 ARG NH1 :A 31 ARG 2HB : -0.584: 0
: 2868:A 31 ARG HE :A 19 ASN HA : -0.542: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.496: 0
: 2868:A 151 PRO 1HD :A 150 ILE N : -0.491: 0
: 2868:A 151 PRO CD :A 150 ILE N : -0.428: 0
: 2868:A 130 PRO O :A 131 LYS 1HB : -0.484: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.479: 0
: 2868:A 78 TYR CD1 :A 161 HIS 1HB : -0.477: 0
: 2868:A 76 LEU 2HB :A 78 TYR CE1 : -0.410: 0
: 2868:A 52 ASP HA :A 46 ASN 2HB : -0.464: 0
: 2868:A 118 THR 2HG2 :A 120 HIS H : -0.455: 0
: 2868:A 125 TRP CZ3 :A 132 PHE CE2 : -0.439: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.427: 0
: 2868:A 123 PRO 1HD :A 122 LYS N : -0.425: 0
: 2868:A 123 PRO CD :A 122 LYS 2HB : -0.408: 0
: 2868:A 109 MET SD :A 114 LYS O : -0.416: 0
: 2868:A 153 LEU HA :A 153 LEU 2HD1 : -0.407: 0
: 2868:A 13 ILE 1HG1 :A 42 TYR 1HB : -0.403: 0
#sum2 ::6.28 clashscore : 6.28 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320124 potential dots:20010.0 A^2:18 bumps:18 bumps B<40:989.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 53 TRP O :A 53 TRP HE3 : -0.551: 0
: 2868:A 53 TRP O :A 53 TRP CE3 : -0.406: 0
: 2868:A 115 ILE 2HG2 :A 109 MET SD : -0.489: 0
: 2868:A 151 PRO 1HD :A 150 ILE N : -0.466: 0
: 2868:A 97 ILE HA :A 84 PHE 2HB : -0.452: 0
: 2868:A 129 VAL 3HG1 :A 130 PRO HA : -0.451: 0
: 2868:A 129 VAL 3HG2 :A 125 TRP O : -0.410: 0
: 2868:A 131 LYS 1HB :A 130 PRO O : -0.410: 0
: 2868:A 143 GLY N :A 144 PRO 1HD : -0.443: 0
: 2868:A 153 LEU HA :A 153 LEU 2HD1 : -0.429: 0
: 2868:A 123 PRO CD :A 122 LYS 2HB : -0.412: 0
: 2868:A 42 TYR 1HB :A 135 ALA 1HB : -0.411: 0
: 2868:A 110 TYR 1HB :A 114 LYS 1HB : -0.407: 0
: 2868:A 160 GLN 2HB :A 154 ILE 3HG2 : -0.403: 0
#sum2 ::4.88 clashscore : 4.88 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320412 potential dots:20030.0 A^2:14 bumps:14 bumps B<40:1087 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2868:A 52 ASP HA :A 46 ASN 2HB : -0.559: 0
: 2868:A 52 ASP O :A 70 TRP NE1 : -0.434: 0
: 2868:A 139 ALA 1HB :A 6 THR 3HG2 : -0.450: 0
: 2868:A 151 PRO CD :A 150 ILE N : -0.431: 0
: 2868:A 164 LYS 1HB :A 76 LEU HA : -0.430: 0
: 2868:A 82 ILE 2HG2 :A 99 VAL 2HG2 : -0.428: 0
: 2868:A 172 HIS HA :A 75 LEU 1HB : -0.426: 0
: 2868:A 149 GLU 2HG :A 145 TRP CE2 : -0.426: 0
: 2868:A 149 GLU O :A 153 LEU 3HD2 : -0.419: 0
: 2868:A 96 GLU 1HB :A 114 LYS 2HD : -0.419: 0
: 2868:A 81 ASP H :A 101 GLU 2HG : -0.415: 0
: 2868:A 123 PRO 1HD :A 122 LYS N : -0.411: 0
: 2868:A 39 LEU 1HD2 :A 134 LEU 2HB : -0.409: 0
#sum2 ::4.53 clashscore : 4.53 clashscore B<40
#summary::2868 atoms:2868 atoms B<40:320653 potential dots:20040.0 A^2:13 bumps:13 bumps B<40:1087 score
Output from PDB validation software
Summary from PDB validation
May. 10, 07:21:55 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
none
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.010 Angstroms
The following table contains a list of the covalent bonds
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 Bond Dictionary
Name ID Number Distance Value
------------------------------------------------------------------------
0.061 PRO A 91 1 CD - N 1.534 1.473
0.058 PRO A 91 11 CD - N 1.531 1.473
0.062 PRO A 130 20 CD - N 1.535 1.473
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.7 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-7.4 CYS A 69 1 N - CA - CB 103.1 110.5
-4.4 PRO A 91 1 CA - N - CD 107.6 112.0
-7.6 CYS A 116 1 N - CA - CB 102.9 110.5
-7.4 CYS A 165 1 N - CA - CB 103.1 110.5
-7.5 CYS A 69 2 N - CA - CB 103.0 110.5
-7.4 CYS A 116 2 N - CA - CB 103.1 110.5
-7.9 CYS A 165 2 N - CA - CB 102.6 110.5
-7.5 CYS A 69 3 N - CA - CB 103.0 110.5
-7.6 CYS A 116 3 N - CA - CB 102.9 110.5
-7.7 CYS A 165 3 N - CA - CB 102.8 110.5
-7.4 CYS A 69 4 N - CA - CB 103.1 110.5
-7.6 CYS A 116 4 N - CA - CB 102.9 110.5
-7.7 CYS A 165 4 N - CA - CB 102.8 110.5
-7.6 CYS A 69 5 N - CA - CB 102.9 110.5
-7.5 CYS A 116 5 N - CA - CB 103.0 110.5
-7.7 CYS A 165 5 N - CA - CB 102.8 110.5
-7.8 CYS A 69 6 N - CA - CB 102.7 110.5
-7.6 CYS A 116 6 N - CA - CB 102.9 110.5
-7.8 CYS A 165 6 N - CA - CB 102.7 110.5
-7.8 CYS A 69 7 N - CA - CB 102.7 110.5
-7.6 CYS A 116 7 N - CA - CB 102.9 110.5
-7.8 CYS A 165 7 N - CA - CB 102.7 110.5
-4.5 HIS A 170 7 N - CA - C 106.7 111.2
-7.6 CYS A 69 8 N - CA - CB 102.9 110.5
-7.6 CYS A 116 8 N - CA - CB 102.9 110.5
-7.6 CYS A 165 8 N - CA - CB 102.9 110.5
-7.4 CYS A 69 9 N - CA - CB 103.1 110.5
-7.7 CYS A 116 9 N - CA - CB 102.8 110.5
-8.0 CYS A 165 9 N - CA - CB 102.5 110.5
-7.4 CYS A 69 10 N - CA - CB 103.1 110.5
-7.7 CYS A 116 10 N - CA - CB 102.8 110.5
-7.6 CYS A 165 10 N - CA - CB 102.9 110.5
-7.3 CYS A 69 11 N - CA - CB 103.2 110.5
-7.6 CYS A 116 11 N - CA - CB 102.9 110.5
-7.4 CYS A 69 12 N - CA - CB 103.1 110.5
-7.5 CYS A 116 12 N - CA - CB 103.0 110.5
-7.3 CYS A 165 12 N - CA - CB 103.2 110.5
-7.6 CYS A 69 13 N - CA - CB 102.9 110.5
-7.6 CYS A 116 13 N - CA - CB 102.9 110.5
-8.0 CYS A 165 13 N - CA - CB 102.5 110.5
-7.3 CYS A 69 14 N - CA - CB 103.2 110.5
-8.1 CYS A 165 14 N - CA - CB 102.4 110.5
-7.5 CYS A 69 15 N - CA - CB 103.0 110.5
-7.3 CYS A 116 15 N - CA - CB 103.2 110.5
-7.6 CYS A 165 15 N - CA - CB 102.9 110.5
-7.5 CYS A 69 16 N - CA - CB 103.0 110.5
-7.7 CYS A 116 16 N - CA - CB 102.8 110.5
-7.6 CYS A 165 16 N - CA - CB 102.9 110.5
-7.2 CYS A 69 17 N - CA - CB 103.3 110.5
-7.3 CYS A 116 17 N - CA - CB 103.2 110.5
-7.5 CYS A 165 17 N - CA - CB 103.0 110.5
-7.6 CYS A 69 18 N - CA - CB 102.9 110.5
-7.5 CYS A 116 18 N - CA - CB 103.0 110.5
-7.9 CYS A 165 18 N - CA - CB 102.6 110.5
-7.5 CYS A 69 19 N - CA - CB 103.0 110.5
-7.5 CYS A 116 19 N - CA - CB 103.0 110.5
-8.1 CYS A 165 19 N - CA - CB 102.4 110.5
-7.3 CYS A 69 20 N - CA - CB 103.2 110.5
-7.8 CYS A 116 20 N - CA - CB 102.7 110.5
-7.7 CYS A 165 20 N - CA - CB 102.8 110.5
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A 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 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
HIS( 1 A 73) HD1
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
HIS( 1 A 120) HD1
HIS( 1 A 136) HD1
GLU( 1 A 149) HE2
ASP( 1 A 152) HD2
HIS( 1 A 161) HD1
GLU( 1 A 163) HE2
GLU( 1 A 169) HE2
HIS( 1 A 170) HE2
HIS( 1 A 171) HE2
HIS( 1 A 172) HD1
HIS( 1 A 173) HD1
HIS( 1 A 174) HE2
HIS( 1 A 175) 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
HIS( 2 A 73) HD1
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
HIS( 2 A 120) HD1
HIS( 2 A 136) HD1
GLU( 2 A 149) HE2
ASP( 2 A 152) HD2
HIS( 2 A 161) HD1
GLU( 2 A 163) HE2
GLU( 2 A 169) HE2
HIS( 2 A 170) HD1
HIS( 2 A 171) HE2
HIS( 2 A 172) HD1
HIS( 2 A 173) HE2
HIS( 2 A 174) HE2
HIS( 2 A 175) 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
HIS( 3 A 73) HD1
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
HIS( 3 A 120) HD1
HIS( 3 A 136) HD1
GLU( 3 A 149) HE2
ASP( 3 A 152) HD2
HIS( 3 A 161) HD1
GLU( 3 A 163) HE2
GLU( 3 A 169) HE2
HIS( 3 A 170) HE2
HIS( 3 A 171) HD1
HIS( 3 A 172) HD1
HIS( 3 A 173) HD1
HIS( 3 A 174) HE2
HIS( 3 A 175) HD1
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
HIS( 4 A 73) HD1
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
HIS( 4 A 120) HD1
HIS( 4 A 136) HD1
GLU( 4 A 149) HE2
ASP( 4 A 152) HD2
HIS( 4 A 161) HD1
GLU( 4 A 163) HE2
GLU( 4 A 169) HE2
HIS( 4 A 170) HD1
HIS( 4 A 171) HE2
HIS( 4 A 172) HE2
HIS( 4 A 173) HE2
HIS( 4 A 174) HD1
HIS( 4 A 175) HD1
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
HIS( 5 A 73) HD1
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
HIS( 5 A 120) HD1
HIS( 5 A 136) HD1
GLU( 5 A 149) HE2
ASP( 5 A 152) HD2
HIS( 5 A 161) HD1
GLU( 5 A 163) HE2
GLU( 5 A 169) HE2
HIS( 5 A 170) HE2
HIS( 5 A 171) HD1
HIS( 5 A 172) HD1
HIS( 5 A 173) HD1
HIS( 5 A 174) HE2
HIS( 5 A 175) HD1
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
HIS( 6 A 73) HD1
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
HIS( 6 A 120) HD1
HIS( 6 A 136) HD1
GLU( 6 A 149) HE2
ASP( 6 A 152) HD2
HIS( 6 A 161) HD1
GLU( 6 A 163) HE2
GLU( 6 A 169) HE2
HIS( 6 A 170) HD1
HIS( 6 A 171) HD1
HIS( 6 A 172) HE2
HIS( 6 A 173) HE2
HIS( 6 A 174) HE2
HIS( 6 A 175) 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
HIS( 7 A 73) HD1
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
HIS( 7 A 120) HD1
HIS( 7 A 136) HD1
GLU( 7 A 149) HE2
ASP( 7 A 152) HD2
HIS( 7 A 161) HD1
GLU( 7 A 163) HE2
GLU( 7 A 169) HE2
HIS( 7 A 170) HE2
HIS( 7 A 171) HE2
HIS( 7 A 172) HE2
HIS( 7 A 173) HD1
HIS( 7 A 174) HE2
HIS( 7 A 175) HD1
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
HIS( 8 A 73) HD1
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
HIS( 8 A 120) HD1
HIS( 8 A 136) HD1
GLU( 8 A 149) HE2
ASP( 8 A 152) HD2
HIS( 8 A 161) HD1
GLU( 8 A 163) HE2
GLU( 8 A 169) HE2
HIS( 8 A 170) HD1
HIS( 8 A 171) HD1
HIS( 8 A 172) HE2
HIS( 8 A 173) HE2
HIS( 8 A 174) HE2
HIS( 8 A 175) 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
HIS( 9 A 73) HD1
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
HIS( 9 A 120) HD1
HIS( 9 A 136) HD1
GLU( 9 A 149) HE2
ASP( 9 A 152) HD2
HIS( 9 A 161) HD1
GLU( 9 A 163) HE2
GLU( 9 A 169) HE2
HIS( 9 A 170) HE2
HIS( 9 A 171) HD1
HIS( 9 A 172) HE2
HIS( 9 A 173) HD1
HIS( 9 A 174) HE2
HIS( 9 A 175) 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
HIS( 10 A 73) HD1
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
HIS( 10 A 120) HD1
HIS( 10 A 136) HD1
GLU( 10 A 149) HE2
ASP( 10 A 152) HD2
HIS( 10 A 161) HD1
GLU( 10 A 163) HE2
GLU( 10 A 169) HE2
HIS( 10 A 170) HD1
HIS( 10 A 171) HD1
HIS( 10 A 172) HD1
HIS( 10 A 173) HD1
HIS( 10 A 174) HD1
HIS( 10 A 175) HD1
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
HIS( 11 A 73) HD1
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
HIS( 11 A 120) HD1
HIS( 11 A 136) HD1
GLU( 11 A 149) HE2
ASP( 11 A 152) HD2
HIS( 11 A 161) HD1
GLU( 11 A 163) HE2
GLU( 11 A 169) HE2
HIS( 11 A 170) HE2
HIS( 11 A 171) HD1
HIS( 11 A 172) HE2
HIS( 11 A 173) HE2
HIS( 11 A 174) HD1
HIS( 11 A 175) 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
HIS( 12 A 73) HD1
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
HIS( 12 A 120) HD1
HIS( 12 A 136) HD1
GLU( 12 A 149) HE2
ASP( 12 A 152) HD2
HIS( 12 A 161) HD1
GLU( 12 A 163) HE2
GLU( 12 A 169) HE2
HIS( 12 A 170) HE2
HIS( 12 A 171) HD1
HIS( 12 A 172) HD1
HIS( 12 A 173) HE2
HIS( 12 A 174) HD1
HIS( 12 A 175) HD1
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
HIS( 13 A 73) HD1
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
HIS( 13 A 120) HD1
HIS( 13 A 136) HD1
GLU( 13 A 149) HE2
ASP( 13 A 152) HD2
HIS( 13 A 161) HD1
GLU( 13 A 163) HE2
GLU( 13 A 169) HE2
HIS( 13 A 170) HD1
HIS( 13 A 171) HE2
HIS( 13 A 172) HE2
HIS( 13 A 173) HD1
HIS( 13 A 174) HD1
HIS( 13 A 175) HD1
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
HIS( 14 A 73) HD1
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
HIS( 14 A 120) HD1
HIS( 14 A 136) HD1
GLU( 14 A 149) HE2
ASP( 14 A 152) HD2
HIS( 14 A 161) HD1
GLU( 14 A 163) HE2
GLU( 14 A 169) HE2
HIS( 14 A 170) HE2
HIS( 14 A 171) HD1
HIS( 14 A 172) HD1
HIS( 14 A 173) HE2
HIS( 14 A 174) HD1
HIS( 14 A 175) 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
HIS( 15 A 73) HD1
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
HIS( 15 A 120) HD1
HIS( 15 A 136) HD1
GLU( 15 A 149) HE2
ASP( 15 A 152) HD2
HIS( 15 A 161) HD1
GLU( 15 A 163) HE2
GLU( 15 A 169) HE2
HIS( 15 A 170) HE2
HIS( 15 A 171) HD1
HIS( 15 A 172) HE2
HIS( 15 A 173) HE2
HIS( 15 A 174) HD1
HIS( 15 A 175) HD1
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
HIS( 16 A 73) HD1
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
HIS( 16 A 120) HD1
HIS( 16 A 136) HD1
GLU( 16 A 149) HE2
ASP( 16 A 152) HD2
HIS( 16 A 161) HD1
GLU( 16 A 163) HE2
GLU( 16 A 169) HE2
HIS( 16 A 170) HE2
HIS( 16 A 171) HD1
HIS( 16 A 172) HD1
HIS( 16 A 173) HD1
HIS( 16 A 174) HD1
HIS( 16 A 175) 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
HIS( 17 A 73) HD1
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
HIS( 17 A 120) HD1
HIS( 17 A 136) HD1
GLU( 17 A 149) HE2
ASP( 17 A 152) HD2
HIS( 17 A 161) HD1
GLU( 17 A 163) HE2
GLU( 17 A 169) HE2
HIS( 17 A 170) HD1
HIS( 17 A 171) HE2
HIS( 17 A 172) HE2
HIS( 17 A 173) HD1
HIS( 17 A 174) HE2
HIS( 17 A 175) 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
HIS( 18 A 73) HD1
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
HIS( 18 A 120) HD1
HIS( 18 A 136) HD1
GLU( 18 A 149) HE2
ASP( 18 A 152) HD2
HIS( 18 A 161) HD1
GLU( 18 A 163) HE2
GLU( 18 A 169) HE2
HIS( 18 A 170) HD1
HIS( 18 A 171) HE2
HIS( 18 A 172) HE2
HIS( 18 A 173) HD1
HIS( 18 A 174) HE2
HIS( 18 A 175) 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
HIS( 19 A 73) HD1
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
HIS( 19 A 120) HD1
HIS( 19 A 136) HD1
GLU( 19 A 149) HE2
ASP( 19 A 152) HD2
HIS( 19 A 161) HD1
GLU( 19 A 163) HE2
GLU( 19 A 169) HE2
HIS( 19 A 170) HD1
HIS( 19 A 171) HD1
HIS( 19 A 172) HD1
HIS( 19 A 173) HD1
HIS( 19 A 174) HE2
HIS( 19 A 175) 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
HIS( 20 A 73) HD1
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
HIS( 20 A 120) HD1
HIS( 20 A 136) HD1
GLU( 20 A 149) HE2
ASP( 20 A 152) HD2
HIS( 20 A 161) HD1
GLU( 20 A 163) HE2
GLU( 20 A 169) HE2
HIS( 20 A 170) HE2
HIS( 20 A 171) HE2
HIS( 20 A 172) HD1
HIS( 20 A 173) HD1
HIS( 20 A 174) HD1
HIS( 20 A 175) 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
HR41_R3Cons_em_bcr3.pdb: Missing KEYWDS records
HR41_R3Cons_em_bcr3.pdb: Missing TITLE record