Detailed results of SGR209C_R3Cons_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1790
# INTRA-RESIDUE RESTRAINTS (I=J) : 497
# SEQUENTIAL RESTRAINTS (I-J)=1 : 465
# BACKBONE-BACKBONE : 122
# BACKBONE-SIDE CHAIN : 18
# SIDE CHAIN-SIDE CHAIN : 325
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 399
# BACKBONE-BACKBONE : 106
# BACKBONE-SIDE CHAIN : 117
# SIDE CHAIN-SIDE CHAIN : 176
# LONG RANGE RESTRAINTS (I-J)>=5 : 429
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1790
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
PRO 1 0 0.0 0.0 0.0 0.0 0.0
GLN 2 0 0.0 0.0 0.0 0.0 0.0
SER 3 0 0.0 0.0 0.0 0.0 0.0
TYR 4 0 0.0 0.0 0.0 0.0 0.0
PHE 5 0 0.0 0.0 0.0 0.0 0.0
ASN 6 0 0.0 0.0 0.0 0.0 0.0
ALA 7 0 0.0 0.0 0.0 0.0 0.0
ALA 8 0 0.0 0.0 0.0 0.0 0.0
ALA 9 0 0.0 0.0 0.0 0.0 0.0
LYS 10 1 1.0 1.0 0.0 0.0 0.0
ARG 11 6 2.5 2.5 0.0 0.0 0.0
GLN 12 6 3.5 3.5 0.0 0.0 0.0
LYS 13 7 6.0 4.5 0.0 1.5 0.0
TYR 14 2 18.0 5.0 0.0 13.0 0.0
ALA 15 1 12.5 4.5 0.5 7.5 0.0
MET 16 9 19.5 4.0 1.5 14.0 0.0
LYS 17 5 7.5 3.5 4.0 0.0 0.0
PRO 18 0 3.5 3.5 0.0 0.0 0.0
GLY 19 0 2.5 2.5 0.0 0.0 0.0
LEU 20 9 16.0 3.0 9.0 4.0 0.0
SER 21 1 8.5 5.0 3.5 0.0 0.0
ALA 22 1 7.5 4.0 3.5 0.0 0.0
LEU 23 11 9.0 4.0 5.0 0.0 0.0
GLU 24 4 12.5 4.5 8.0 0.0 0.0
LYS 25 10 14.0 3.5 5.5 5.0 0.0
ASN 26 2 11.0 4.0 7.0 0.0 0.0
ALA 27 1 8.5 4.5 3.0 1.0 0.0
VAL 28 5 21.5 3.5 4.0 14.0 0.0
ILE 29 8 18.0 3.0 6.0 9.0 0.0
LYS 30 4 6.5 3.0 3.5 0.0 0.0
ALA 31 1 11.0 3.5 3.0 4.5 0.0
ALA 32 1 11.0 2.5 2.5 6.0 0.0
TYR 33 3 9.5 2.0 3.5 4.0 0.0
ARG 34 5 7.0 4.0 2.0 1.0 0.0
GLN 35 1 4.0 3.0 0.5 0.5 0.0
ILE 36 8 13.0 2.5 1.5 9.0 0.0
PHE 37 1 8.0 3.5 3.5 1.0 0.0
GLU 38 2 5.5 3.0 2.5 0.0 0.0
ARG 39 4 6.5 3.5 2.0 1.0 0.0
ASP 40 2 2.5 2.5 0.0 0.0 0.0
ILE 41 8 15.5 3.0 8.5 4.0 0.0
THR 42 2 6.5 5.5 1.0 0.0 0.0
LYS 43 5 4.5 4.5 0.0 0.0 0.0
ALA 44 1 4.5 4.5 0.0 0.0 0.0
TYR 45 3 12.0 4.0 6.5 1.5 0.0
SER 46 1 5.0 1.0 4.0 0.0 0.0
GLN 47 2 1.5 1.5 0.0 0.0 0.0
SER 48 0 5.0 4.0 1.0 0.0 0.0
ILE 49 10 18.0 5.0 7.5 5.5 0.0
SER 50 1 4.5 3.5 1.0 0.0 0.0
TYR 51 4 6.0 3.5 2.5 0.0 0.0
LEU 52 10 20.0 5.0 5.0 10.0 0.0
GLU 53 0 8.5 3.5 2.5 2.5 0.0
SER 54 1 4.0 2.5 1.5 0.0 0.0
GLN 55 5 13.5 4.5 4.5 4.5 0.0
VAL 56 5 22.5 5.5 3.5 13.5 0.0
ARG 57 6 8.5 4.5 1.0 3.0 0.0
ASN 58 4 7.0 3.5 3.5 0.0 0.0
GLY 59 0 5.5 2.0 2.5 1.0 0.0
ASP 60 1 5.5 2.0 2.0 1.5 0.0
ILE 61 4 17.0 4.0 1.5 11.5 0.0
SER 62 0 5.5 2.5 2.0 1.0 0.0
MET 63 4 14.5 1.0 3.5 10.0 0.0
LYS 64 4 10.0 2.5 4.0 3.5 0.0
GLU 65 1 3.5 2.0 1.5 0.0 0.0
PHE 66 4 21.5 3.0 5.5 13.0 0.0
VAL 67 5 22.5 6.0 7.0 9.5 0.0
ARG 68 2 10.0 4.0 1.5 4.5 0.0
ARG 69 4 5.5 1.5 0.5 3.5 0.0
LEU 70 7 19.5 2.5 8.0 9.0 0.0
ALA 71 1 9.5 2.5 2.0 5.0 0.0
LYS 72 5 5.0 2.5 0.5 2.0 0.0
SER 73 2 6.5 3.5 3.0 0.0 0.0
PRO 74 0 5.5 4.0 1.5 0.0 0.0
LEU 75 8 11.0 3.0 5.5 2.5 0.0
TYR 76 0 2.0 1.5 0.5 0.0 0.0
ARG 77 8 6.0 2.0 2.0 2.0 0.0
LYS 78 7 6.0 3.0 3.0 0.0 0.0
GLN 79 5 7.5 3.5 4.0 0.0 0.0
PHE 80 3 5.0 2.5 0.0 2.5 0.0
PHE 81 1 8.5 2.0 2.0 4.5 0.0
GLU 82 2 4.5 3.0 1.5 0.0 0.0
PRO 83 0 5.0 4.5 0.5 0.0 0.0
PHE 84 1 11.0 6.0 3.0 2.0 0.0
ILE 85 7 6.5 4.0 2.5 0.0 0.0
ASN 86 2 5.5 2.0 1.0 2.5 0.0
SER 87 0 5.0 1.5 3.0 0.5 0.0
ARG 88 5 6.0 2.5 3.5 0.0 0.0
ALA 89 1 9.5 3.5 2.0 4.0 0.0
LEU 90 9 25.0 4.0 5.5 15.5 0.0
GLU 91 4 8.5 4.0 2.5 2.0 0.0
LEU 92 8 8.5 3.5 2.5 2.5 0.0
ALA 93 1 10.0 4.0 3.0 3.0 0.0
PHE 94 3 19.5 3.5 9.5 6.5 0.0
ARG 95 5 8.0 4.0 1.5 2.5 0.0
HIS 96 1 6.0 4.0 1.5 0.5 0.0
ILE 97 11 18.5 3.0 3.0 12.5 0.0
LEU 98 9 14.5 4.0 4.5 6.0 0.0
GLY 99 0 5.0 3.0 1.0 1.0 0.0
ARG 100 1 6.0 3.0 1.5 1.5 0.0
GLY 101 0 4.0 3.5 0.0 0.5 0.0
PRO 102 0 6.5 1.5 0.5 4.5 0.0
SER 103 0 1.5 1.5 0.0 0.0 0.0
SER 104 0 5.0 1.0 4.0 0.0 0.0
ARG 105 8 4.0 2.0 2.0 0.0 0.0
GLU 106 4 5.0 3.5 1.5 0.0 0.0
GLU 107 3 9.5 3.0 5.5 1.0 0.0
VAL 108 5 15.5 5.0 7.0 3.5 0.0
GLN 109 7 8.5 5.5 3.0 0.0 0.0
LYS 110 8 10.0 6.0 4.0 0.0 0.0
TYR 111 5 25.5 5.0 9.0 11.5 0.0
PHE 112 4 18.0 2.5 10.0 5.5 0.0
SER 113 1 3.5 2.5 1.0 0.0 0.0
ILE 114 12 20.5 4.0 9.5 7.0 0.0
VAL 115 5 20.0 4.5 6.0 9.5 0.0
SER 116 2 3.5 2.5 1.0 0.0 0.0
SER 117 1 4.5 2.0 2.0 0.5 0.0
GLY 118 0 3.5 1.5 2.0 0.0 0.0
GLY 119 0 3.5 0.5 3.0 0.0 0.0
LEU 120 6 10.5 2.5 1.5 6.5 0.0
PRO 121 0 9.5 4.5 3.5 1.5 0.0
ALA 122 1 10.0 3.0 4.0 3.0 0.0
LEU 123 6 23.0 4.0 5.0 14.0 0.0
VAL 124 5 16.5 5.5 6.5 4.5 0.0
ASP 125 2 9.5 4.0 5.0 0.5 0.0
ALA 126 1 8.0 2.5 3.0 2.5 0.0
LEU 127 9 28.0 3.5 8.0 16.5 0.0
VAL 128 5 19.5 4.5 4.5 10.5 0.0
ASP 129 1 6.0 3.5 2.0 0.5 0.0
SER 130 3 9.0 3.5 5.5 0.0 0.0
GLN 131 6 6.0 3.0 3.0 0.0 0.0
GLU 132 3 5.0 2.0 3.0 0.0 0.0
TYR 133 4 11.5 3.5 3.0 5.0 0.0
ALA 134 1 8.5 3.5 5.0 0.0 0.0
ASP 135 1 4.5 3.0 1.5 0.0 0.0
TYR 136 4 5.0 3.5 1.5 0.0 0.0
PHE 137 0 4.0 2.5 1.5 0.0 0.0
GLY 138 0 3.5 2.0 1.5 0.0 0.0
GLU 139 2 4.5 2.5 0.0 2.0 0.0
GLU 140 4 8.0 2.5 0.5 5.0 0.0
THR 141 3 7.0 2.5 1.5 3.0 0.0
VAL 142 4 16.5 3.0 0.0 13.5 0.0
PRO 143 0 6.0 3.0 0.0 3.0 0.0
TYR 144 1 8.0 4.5 2.0 1.5 0.0
LEU 145 9 9.0 6.0 0.0 3.0 0.0
ARG 146 4 4.5 4.0 0.5 0.0 0.0
GLY 147 0 2.0 2.0 0.0 0.0 0.0
LEU 148 7 3.5 3.5 0.0 0.0 0.0
GLU 149 5 3.5 3.5 0.0 0.0 0.0
HIS 150 0 1.0 1.0 0.0 0.0 0.0
HIS 151 0 0.0 0.0 0.0 0.0 0.0
HIS 152 0 0.0 0.0 0.0 0.0 0.0
HIS 153 0 0.0 0.0 0.0 0.0 0.0
HIS 154 0 0.0 0.0 0.0 0.0 0.0
HIS 155 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 497 1293.0 465.0 399.0 429.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1790.0
List of conformationally-resticting NOE constraints
assign ((resid 10 and name HA )) ( (resid 11 and name HN )) 1.80 0.00 1.59
assign ((resid 10 and name HG* )) ( (resid 10 and name HE* )) 1.80 0.00 1.39
assign ((resid 10 and name HG* )) ( (resid 11 and name HN )) 1.80 0.00 3.44
assign ((resid 11 and name HA )) ( (resid 11 and name HD* )) 1.80 0.00 2.41
assign ((resid 11 and name HA )) ( (resid 11 and name HG* )) 1.80 0.00 1.56
assign ((resid 11 and name HA )) ( (resid 12 and name HN )) 1.80 0.00 1.72
assign ((resid 11 and name HB* )) ( (resid 11 and name HD* )) 1.80 0.00 1.40
assign ((resid 11 and name HB* )) ( (resid 12 and name HN )) 1.80 0.00 2.33
assign ((resid 11 and name HG* )) ( (resid 12 and name HN )) 1.80 0.00 3.11
assign ((resid 11 and name HN )) ( (resid 11 and name HB* )) 1.80 0.00 1.64
assign ((resid 11 and name HN )) ( (resid 11 and name HD* )) 1.80 0.00 3.47
assign ((resid 11 and name HN )) ( (resid 11 and name HG* )) 1.80 0.00 3.51
assign ((resid 12 and name HA )) ( (resid 12 and name HG* )) 1.80 0.00 1.90
assign ((resid 12 and name HA )) ( (resid 13 and name HN )) 1.80 0.00 1.55
assign ((resid 12 and name HB* )) ( (resid 12 and name HE2* )) 1.80 0.00 2.79
assign ((resid 12 and name HB* )) ( (resid 12 and name HG* )) 1.80 0.00 0.68
assign ((resid 12 and name HB* )) ( (resid 13 and name HN )) 1.80 0.00 2.51
assign ((resid 12 and name HG* )) ( (resid 13 and name HN )) 1.80 0.00 2.29
assign ((resid 12 and name HN )) ( (resid 12 and name HB1 )) 1.80 0.00 2.19
assign ((resid 12 and name HN )) ( (resid 12 and name HB2 )) 1.80 0.00 2.19
assign ((resid 12 and name HN )) ( (resid 12 and name HG* )) 1.80 0.00 3.07
assign ((resid 12 and name HN )) ( (resid 13 and name HN )) 1.80 0.00 3.17
assign ((resid 13 and name HA )) ( (resid 13 and name HD* )) 1.80 0.00 3.14
assign ((resid 13 and name HA )) ( (resid 13 and name HE* )) 1.80 0.00 3.72
assign ((resid 13 and name HA )) ( (resid 13 and name HG* )) 1.80 0.00 2.10
assign ((resid 13 and name HA )) ( (resid 14 and name HD* )) 1.80 0.00 3.01
assign ((resid 13 and name HA )) ( (resid 14 and name HN )) 1.80 0.00 1.60
assign ((resid 13 and name HB* )) ( (resid 14 and name HN )) 1.80 0.00 2.38
assign ((resid 13 and name HD* )) ( (resid 144 and name HE* )) 1.80 0.00 2.59
assign ((resid 13 and name HE* )) ( (resid 144 and name HE* )) 1.80 0.00 2.69
assign ((resid 13 and name HG* )) ( (resid 13 and name HE* )) 1.80 0.00 1.52
assign ((resid 13 and name HG* )) ( (resid 14 and name HN )) 1.80 0.00 2.82
assign ((resid 13 and name HG* )) ( (resid 144 and name HE* )) 1.80 0.00 3.02
assign ((resid 13 and name HN )) ( (resid 13 and name HB* )) 1.80 0.00 1.50
assign ((resid 13 and name HN )) ( (resid 13 and name HE* )) 1.80 0.00 3.56
assign ((resid 13 and name HN )) ( (resid 13 and name HG* )) 1.80 0.00 1.86
assign ((resid 13 and name HN )) ( (resid 14 and name HN )) 1.80 0.00 3.28
assign ((resid 14 and name HA )) ( (resid 14 and name HD* )) 1.80 0.00 2.08
assign ((resid 14 and name HA )) ( (resid 15 and name HB* )) 1.80 0.00 2.78
assign ((resid 14 and name HA )) ( (resid 15 and name HN )) 1.80 0.00 1.30
assign ((resid 14 and name HA )) ( (resid 28 and name HG2* )) 1.80 0.00 2.61
assign ((resid 14 and name HA )) ( (resid 31 and name HB* )) 1.80 0.00 4.25
assign ((resid 14 and name HB* )) ( (resid 15 and name HN )) 1.80 0.00 2.50
assign ((resid 14 and name HB* )) ( (resid 28 and name HA )) 1.80 0.00 2.70
assign ((resid 14 and name HB* )) ( (resid 28 and name HG1* )) 1.80 0.00 2.30
assign ((resid 14 and name HB* )) ( (resid 31 and name HB* )) 1.80 0.00 2.53
assign ((resid 14 and name HB* )) ( (resid 142 and name HB )) 1.80 0.00 3.02
assign ((resid 14 and name HB* )) ( (resid 142 and name HG1* )) 1.80 0.00 2.96
assign ((resid 14 and name HB* )) ( (resid 142 and name HG2* )) 1.80 0.00 2.27
assign ((resid 14 and name HB* )) ( (resid 142 and name HN )) 1.80 0.00 3.70
assign ((resid 14 and name HB1 )) ( (resid 28 and name HG2* )) 1.80 0.00 3.11
assign ((resid 14 and name HB2 )) ( (resid 28 and name HG2* )) 1.80 0.00 3.11
assign ((resid 14 and name HD* )) ( (resid 15 and name HN )) 1.80 0.00 2.75
assign ((resid 14 and name HD* )) ( (resid 27 and name HB* )) 1.80 0.00 2.62
assign ((resid 14 and name HD* )) ( (resid 28 and name HA )) 1.80 0.00 2.29
assign ((resid 14 and name HD* )) ( (resid 28 and name HG1* )) 1.80 0.00 2.73
assign ((resid 14 and name HD* )) ( (resid 28 and name HG2* )) 1.80 0.00 1.89
assign ((resid 14 and name HD* )) ( (resid 28 and name HN )) 1.80 0.00 3.76
assign ((resid 14 and name HD* )) ( (resid 31 and name HB* )) 1.80 0.00 1.83
assign ((resid 14 and name HD* )) ( (resid 31 and name HN )) 1.80 0.00 4.10
assign ((resid 14 and name HD* )) ( (resid 142 and name HG1* )) 1.80 0.00 4.11
assign ((resid 14 and name HD* )) ( (resid 142 and name HG2* )) 1.80 0.00 3.06
assign ((resid 14 and name HE* )) ( (resid 27 and name HB* )) 1.80 0.00 1.81
assign ((resid 14 and name HE* )) ( (resid 28 and name HG2* )) 1.80 0.00 2.82
assign ((resid 14 and name HE* )) ( (resid 31 and name HB* )) 1.80 0.00 2.20
assign ((resid 14 and name HN )) ( (resid 14 and name HD* )) 1.80 0.00 2.37
assign ((resid 14 and name HN )) ( (resid 15 and name HN )) 1.80 0.00 3.09
assign ((resid 14 and name HN )) ( (resid 31 and name HB* )) 1.80 0.00 3.89
assign ((resid 14 and name HN )) ( (resid 142 and name HB )) 1.80 0.00 3.33
assign ((resid 14 and name HN )) ( (resid 142 and name HG2* )) 1.80 0.00 2.84
assign ((resid 15 and name HA )) ( (resid 16 and name HB* )) 1.80 0.00 3.92
assign ((resid 15 and name HA )) ( (resid 16 and name HN )) 1.80 0.00 1.92
assign ((resid 15 and name HA )) ( (resid 28 and name HG1* )) 1.80 0.00 3.05
assign ((resid 15 and name HA )) ( (resid 140 and name HG* )) 1.80 0.00 4.57
assign ((resid 15 and name HA )) ( (resid 141 and name HA )) 1.80 0.00 2.29
assign ((resid 15 and name HA )) ( (resid 141 and name HG2* )) 1.80 0.00 2.63
assign ((resid 15 and name HA )) ( (resid 142 and name HG2* )) 1.80 0.00 2.82
assign ((resid 15 and name HA )) ( (resid 142 and name HN )) 1.80 0.00 2.75
assign ((resid 15 and name HB* )) ( (resid 16 and name HN )) 1.80 0.00 1.82
assign ((resid 15 and name HB* )) ( (resid 17 and name HE* )) 1.80 0.00 2.20
assign ((resid 15 and name HB* )) ( (resid 140 and name HB* )) 1.80 0.00 1.93
assign ((resid 15 and name HB* )) ( (resid 140 and name HG* )) 1.80 0.00 3.01
assign ((resid 15 and name HB* )) ( (resid 140 and name HN )) 1.80 0.00 3.58
assign ((resid 15 and name HB* )) ( (resid 141 and name HA )) 1.80 0.00 1.79
assign ((resid 15 and name HB* )) ( (resid 141 and name HG2* )) 1.80 0.00 2.18
assign ((resid 15 and name HB* )) ( (resid 141 and name HN )) 1.80 0.00 2.71
assign ((resid 15 and name HB* )) ( (resid 142 and name HN )) 1.80 0.00 2.64
assign ((resid 15 and name HN )) ( (resid 15 and name HB* )) 1.80 0.00 1.51
assign ((resid 15 and name HN )) ( (resid 16 and name HN )) 1.80 0.00 3.18
assign ((resid 15 and name HN )) ( (resid 28 and name HG1* )) 1.80 0.00 2.47
assign ((resid 15 and name HN )) ( (resid 28 and name HG2* )) 1.80 0.00 1.83
assign ((resid 16 and name HA )) ( (resid 16 and name HE* )) 1.80 0.00 2.17
assign ((resid 16 and name HA )) ( (resid 17 and name HN )) 1.80 0.00 1.42
assign ((resid 16 and name HA )) ( (resid 20 and name HD1* )) 1.80 0.00 2.75
assign ((resid 16 and name HA )) ( (resid 28 and name HG1* )) 1.80 0.00 2.39
assign ((resid 16 and name HA )) ( (resid 28 and name HG2* )) 1.80 0.00 2.63
assign ((resid 16 and name HB* )) ( (resid 28 and name HG1* )) 1.80 0.00 2.52
assign ((resid 16 and name HB* )) ( (resid 56 and name HG2* )) 1.80 0.00 3.62
assign ((resid 16 and name HB* )) ( (resid 63 and name HE* )) 1.80 0.00 2.63
assign ((resid 16 and name HB1 )) ( (resid 16 and name HE* )) 1.80 0.00 3.02
assign ((resid 16 and name HB2 )) ( (resid 16 and name HE* )) 1.80 0.00 3.02
assign ((resid 16 and name HE* )) ( (resid 17 and name HN )) 1.80 0.00 3.46
assign ((resid 16 and name HE* )) ( (resid 20 and name HD1* )) 1.80 0.00 2.72
assign ((resid 16 and name HE* )) ( (resid 25 and name HA )) 1.80 0.00 2.30
assign ((resid 16 and name HE* )) ( (resid 25 and name HD* )) 1.80 0.00 3.26
assign ((resid 16 and name HE* )) ( (resid 28 and name HB )) 1.80 0.00 2.38
assign ((resid 16 and name HE* )) ( (resid 28 and name HG1* )) 1.80 0.00 1.20
assign ((resid 16 and name HE* )) ( (resid 28 and name HG2* )) 1.80 0.00 2.80
assign ((resid 16 and name HE* )) ( (resid 29 and name HD1* )) 1.80 0.00 1.36
assign ((resid 16 and name HE* )) ( (resid 29 and name HG1* )) 1.80 0.00 1.68
assign ((resid 16 and name HE* )) ( (resid 29 and name HN )) 1.80 0.00 2.57
assign ((resid 16 and name HE* )) ( (resid 56 and name HG1* )) 1.80 0.00 1.91
assign ((resid 16 and name HE* )) ( (resid 56 and name HG2* )) 1.80 0.00 1.89
assign ((resid 16 and name HE* )) ( (resid 57 and name HA )) 1.80 0.00 2.00
assign ((resid 16 and name HE* )) ( (resid 57 and name HN )) 1.80 0.00 3.22
assign ((resid 16 and name HE* )) ( (resid 59 and name HN )) 1.80 0.00 3.71
assign ((resid 16 and name HE* )) ( (resid 63 and name HE* )) 1.80 0.00 1.60
assign ((resid 16 and name HG* )) ( (resid 16 and name HE* )) 1.80 0.00 1.41
assign ((resid 16 and name HG* )) ( (resid 17 and name HN )) 1.80 0.00 3.14
assign ((resid 16 and name HG* )) ( (resid 20 and name HD1* )) 1.80 0.00 3.12
assign ((resid 16 and name HG* )) ( (resid 28 and name HG1* )) 1.80 0.00 2.73
assign ((resid 16 and name HG* )) ( (resid 28 and name HG2* )) 1.80 0.00 3.44
assign ((resid 16 and name HG* )) ( (resid 56 and name HG1* )) 1.80 0.00 3.99
assign ((resid 16 and name HG* )) ( (resid 56 and name HG2* )) 1.80 0.00 3.20
assign ((resid 16 and name HN )) ( (resid 16 and name HB1 )) 1.80 0.00 2.45
assign ((resid 16 and name HN )) ( (resid 16 and name HB2 )) 1.80 0.00 2.45
assign ((resid 16 and name HN )) ( (resid 16 and name HE* )) 1.80 0.00 3.64
assign ((resid 16 and name HN )) ( (resid 16 and name HG1 )) 1.80 0.00 3.55
assign ((resid 16 and name HN )) ( (resid 16 and name HG2 )) 1.80 0.00 3.55
assign ((resid 16 and name HN )) ( (resid 17 and name HN )) 1.80 0.00 3.37
assign ((resid 16 and name HN )) ( (resid 28 and name HG1* )) 1.80 0.00 2.71
assign ((resid 16 and name HN )) ( (resid 63 and name HE* )) 1.80 0.00 3.20
assign ((resid 16 and name HN )) ( (resid 140 and name HA )) 1.80 0.00 3.40
assign ((resid 16 and name HN )) ( (resid 140 and name HB* )) 1.80 0.00 3.55
assign ((resid 16 and name HN )) ( (resid 141 and name HA )) 1.80 0.00 2.68
assign ((resid 17 and name HA )) ( (resid 17 and name HG* )) 1.80 0.00 2.04
assign ((resid 17 and name HB* )) ( (resid 18 and name HD1 )) 1.80 0.00 2.40
assign ((resid 17 and name HB* )) ( (resid 18 and name HD2 )) 1.80 0.00 2.40
assign ((resid 17 and name HD* )) ( (resid 20 and name HD2* )) 1.80 0.00 2.63
assign ((resid 17 and name HE* )) ( (resid 20 and name HD1* )) 1.80 0.00 3.36
assign ((resid 17 and name HE* )) ( (resid 20 and name HD2* )) 1.80 0.00 2.52
assign ((resid 17 and name HG* )) ( (resid 17 and name HE* )) 1.80 0.00 1.45
assign ((resid 17 and name HG* )) ( (resid 18 and name HD* )) 1.80 0.00 3.40
assign ((resid 17 and name HG* )) ( (resid 20 and name HD2* )) 1.80 0.00 2.59
assign ((resid 17 and name HN )) ( (resid 17 and name HB* )) 1.80 0.00 1.76
assign ((resid 17 and name HN )) ( (resid 17 and name HD* )) 1.80 0.00 3.22
assign ((resid 17 and name HN )) ( (resid 17 and name HG* )) 1.80 0.00 1.83
assign ((resid 17 and name HN )) ( (resid 20 and name HD1* )) 1.80 0.00 2.03
assign ((resid 17 and name HN )) ( (resid 20 and name HD2* )) 1.80 0.00 2.66
assign ((resid 17 and name HN )) ( (resid 20 and name HG )) 1.80 0.00 2.19
assign ((resid 18 and name HA )) ( (resid 19 and name HN )) 1.80 0.00 2.10
assign ((resid 18 and name HB1 )) ( (resid 19 and name HN )) 1.80 0.00 3.12
assign ((resid 18 and name HB2 )) ( (resid 19 and name HN )) 1.80 0.00 3.12
assign ((resid 18 and name HD* )) ( (resid 19 and name HN )) 1.80 0.00 3.60
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 1.80 0.00 2.47
assign ((resid 20 and name HA )) ( (resid 20 and name HD1* )) 1.80 0.00 2.56
assign ((resid 20 and name HA )) ( (resid 20 and name HD2* )) 1.80 0.00 1.29
assign ((resid 20 and name HA )) ( (resid 21 and name HN )) 1.80 0.00 1.83
assign ((resid 20 and name HB* )) ( (resid 21 and name HN )) 1.80 0.00 2.64
assign ((resid 20 and name HB* )) ( (resid 24 and name HG1 )) 1.80 0.00 3.19
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assign ((resid 124 and name HG1* )) ( (resid 127 and name HD1* )) 1.80 0.00 2.90
assign ((resid 124 and name HG1* )) ( (resid 128 and name HG1* )) 1.80 0.00 3.09
assign ((resid 124 and name HG2* )) ( (resid 125 and name HN )) 1.80 0.00 2.57
assign ((resid 124 and name HN )) ( (resid 124 and name HB )) 1.80 0.00 2.20
assign ((resid 124 and name HN )) ( (resid 124 and name HG1* )) 1.80 0.00 2.55
assign ((resid 124 and name HN )) ( (resid 124 and name HG2* )) 1.80 0.00 1.70
assign ((resid 124 and name HN )) ( (resid 125 and name HN )) 1.80 0.00 2.39
assign ((resid 124 and name HN )) ( (resid 126 and name HN )) 1.80 0.00 3.19
assign ((resid 124 and name HN )) ( (resid 127 and name HD1* )) 1.80 0.00 4.25
assign ((resid 125 and name HA )) ( (resid 128 and name HB )) 1.80 0.00 3.91
assign ((resid 125 and name HA )) ( (resid 128 and name HG1* )) 1.80 0.00 3.08
assign ((resid 125 and name HA )) ( (resid 128 and name HG2* )) 1.80 0.00 2.15
assign ((resid 125 and name HA )) ( (resid 128 and name HN )) 1.80 0.00 3.16
assign ((resid 125 and name HA )) ( (resid 129 and name HN )) 1.80 0.00 3.13
assign ((resid 125 and name HB1 )) ( (resid 126 and name HN )) 1.80 0.00 2.61
assign ((resid 125 and name HB2 )) ( (resid 126 and name HN )) 1.80 0.00 2.61
assign ((resid 125 and name HN )) ( (resid 125 and name HB1 )) 1.80 0.00 2.33
assign ((resid 125 and name HN )) ( (resid 125 and name HB2 )) 1.80 0.00 2.33
assign ((resid 125 and name HN )) ( (resid 126 and name HN )) 1.80 0.00 1.81
assign ((resid 126 and name HA )) ( (resid 129 and name HN )) 1.80 0.00 3.58
assign ((resid 126 and name HB* )) ( (resid 127 and name HD2* )) 1.80 0.00 3.12
assign ((resid 126 and name HB* )) ( (resid 127 and name HN )) 1.80 0.00 1.98
assign ((resid 126 and name HN )) ( (resid 126 and name HB* )) 1.80 0.00 1.33
assign ((resid 126 and name HN )) ( (resid 128 and name HN )) 1.80 0.00 3.59
assign ((resid 126 and name HN )) ( (resid 129 and name HN )) 1.80 0.00 3.44
assign ((resid 127 and name HA )) ( (resid 127 and name HD1* )) 1.80 0.00 2.64
assign ((resid 127 and name HA )) ( (resid 127 and name HD2* )) 1.80 0.00 1.58
assign ((resid 127 and name HA )) ( (resid 127 and name HG )) 1.80 0.00 1.70
assign ((resid 127 and name HA )) ( (resid 130 and name HB* )) 1.80 0.00 3.52
assign ((resid 127 and name HA )) ( (resid 130 and name HN )) 1.80 0.00 2.83
assign ((resid 127 and name HB* )) ( (resid 127 and name HD1* )) 1.80 0.00 1.73
assign ((resid 127 and name HB1 )) ( (resid 128 and name HN )) 1.80 0.00 2.73
assign ((resid 127 and name HB2 )) ( (resid 128 and name HN )) 1.80 0.00 2.73
assign ((resid 127 and name HD1* )) ( (resid 128 and name HN )) 1.80 0.00 3.60
assign ((resid 127 and name HD2* )) ( (resid 128 and name HN )) 1.80 0.00 3.28
assign ((resid 127 and name HN )) ( (resid 127 and name HB1 )) 1.80 0.00 2.40
assign ((resid 127 and name HN )) ( (resid 127 and name HB2 )) 1.80 0.00 2.40
assign ((resid 127 and name HN )) ( (resid 127 and name HD1* )) 1.80 0.00 2.39
assign ((resid 127 and name HN )) ( (resid 127 and name HD2* )) 1.80 0.00 2.69
assign ((resid 127 and name HN )) ( (resid 127 and name HG )) 1.80 0.00 2.20
assign ((resid 127 and name HN )) ( (resid 128 and name HN )) 1.80 0.00 2.10
assign ((resid 127 and name HN )) ( (resid 129 and name HN )) 1.80 0.00 2.93
assign ((resid 127 and name HN )) ( (resid 130 and name HN )) 1.80 0.00 4.14
assign ((resid 128 and name HA )) ( (resid 128 and name HG1* )) 1.80 0.00 1.72
assign ((resid 128 and name HA )) ( (resid 128 and name HG2* )) 1.80 0.00 1.94
assign ((resid 128 and name HA )) ( (resid 130 and name HN )) 1.80 0.00 2.91
assign ((resid 128 and name HB )) ( (resid 129 and name HN )) 1.80 0.00 2.72
assign ((resid 128 and name HG1* )) ( (resid 129 and name HN )) 1.80 0.00 3.01
assign ((resid 128 and name HG1* )) ( (resid 130 and name HN )) 1.80 0.00 4.13
assign ((resid 128 and name HG1* )) ( (resid 133 and name HD* )) 1.80 0.00 4.28
assign ((resid 128 and name HG2* )) ( (resid 129 and name HN )) 1.80 0.00 2.28
assign ((resid 128 and name HG2* )) ( (resid 133 and name HD* )) 1.80 0.00 4.25
assign ((resid 128 and name HN )) ( (resid 128 and name HB )) 1.80 0.00 2.28
assign ((resid 128 and name HN )) ( (resid 128 and name HG1* )) 1.80 0.00 2.22
assign ((resid 128 and name HN )) ( (resid 128 and name HG2* )) 1.80 0.00 1.73
assign ((resid 128 and name HN )) ( (resid 129 and name HN )) 1.80 0.00 1.99
assign ((resid 128 and name HN )) ( (resid 130 and name HN )) 1.80 0.00 3.26
assign ((resid 129 and name HB1 )) ( (resid 130 and name HN )) 1.80 0.00 3.01
assign ((resid 129 and name HB2 )) ( (resid 130 and name HN )) 1.80 0.00 3.01
assign ((resid 129 and name HN )) ( (resid 129 and name HB* )) 1.80 0.00 1.74
assign ((resid 129 and name HN )) ( (resid 130 and name HN )) 1.80 0.00 1.87
assign ((resid 130 and name HA )) ( (resid 131 and name HN )) 1.80 0.00 2.04
assign ((resid 130 and name HA )) ( (resid 132 and name HN )) 1.80 0.00 3.17
assign ((resid 130 and name HB1 )) ( (resid 131 and name HN )) 1.80 0.00 3.12
assign ((resid 130 and name HB1 )) ( (resid 132 and name HN )) 1.80 0.00 3.32
assign ((resid 130 and name HB2 )) ( (resid 131 and name HN )) 1.80 0.00 3.12
assign ((resid 130 and name HB2 )) ( (resid 132 and name HN )) 1.80 0.00 3.32
assign ((resid 130 and name HG )) ( (resid 133 and name HN )) 1.80 0.00 2.64
assign ((resid 130 and name HN )) ( (resid 130 and name HB1 )) 1.80 0.00 2.29
assign ((resid 130 and name HN )) ( (resid 130 and name HB2 )) 1.80 0.00 2.29
assign ((resid 130 and name HN )) ( (resid 130 and name HG )) 1.80 0.00 2.63
assign ((resid 130 and name HN )) ( (resid 131 and name HN )) 1.80 0.00 3.14
assign ((resid 130 and name HN )) ( (resid 133 and name HB* )) 1.80 0.00 3.85
assign ((resid 131 and name HA )) ( (resid 131 and name HE22 )) 1.80 0.00 3.46
assign ((resid 131 and name HA )) ( (resid 131 and name HG* )) 1.80 0.00 2.07
assign ((resid 131 and name HA )) ( (resid 134 and name HB* )) 1.80 0.00 1.62
assign ((resid 131 and name HA )) ( (resid 134 and name HN )) 1.80 0.00 2.46
assign ((resid 131 and name HB* )) ( (resid 132 and name HN )) 1.80 0.00 2.05
assign ((resid 131 and name HB* )) ( (resid 134 and name HB* )) 1.80 0.00 2.66
assign ((resid 131 and name HE21 )) ( (resid 134 and name HB* )) 1.80 0.00 2.55
assign ((resid 131 and name HE22 )) ( (resid 134 and name HB* )) 1.80 0.00 2.55
assign ((resid 131 and name HG1 )) ( (resid 131 and name HE21 )) 1.80 0.00 1.98
assign ((resid 131 and name HG2 )) ( (resid 131 and name HE21 )) 1.80 0.00 1.98
assign ((resid 131 and name HN )) ( (resid 131 and name HB* )) 1.80 0.00 1.74
assign ((resid 131 and name HN )) ( (resid 131 and name HG* )) 1.80 0.00 2.80
assign ((resid 131 and name HN )) ( (resid 132 and name HN )) 1.80 0.00 2.61
assign ((resid 131 and name HN )) ( (resid 134 and name HB* )) 1.80 0.00 4.06
assign ((resid 132 and name HA )) ( (resid 135 and name HB* )) 1.80 0.00 2.47
assign ((resid 132 and name HA )) ( (resid 135 and name HN )) 1.80 0.00 3.28
assign ((resid 132 and name HB* )) ( (resid 133 and name HN )) 1.80 0.00 2.45
assign ((resid 132 and name HN )) ( (resid 132 and name HB* )) 1.80 0.00 1.97
assign ((resid 132 and name HN )) ( (resid 132 and name HG1 )) 1.80 0.00 2.77
assign ((resid 132 and name HN )) ( (resid 132 and name HG2 )) 1.80 0.00 2.77
assign ((resid 132 and name HN )) ( (resid 133 and name HN )) 1.80 0.00 2.56
assign ((resid 132 and name HN )) ( (resid 134 and name HN )) 1.80 0.00 3.52
assign ((resid 133 and name HA )) ( (resid 133 and name HD* )) 1.80 0.00 2.74
assign ((resid 133 and name HA )) ( (resid 134 and name HB* )) 1.80 0.00 3.87
assign ((resid 133 and name HA )) ( (resid 136 and name HB* )) 1.80 0.00 3.66
assign ((resid 133 and name HA )) ( (resid 136 and name HN )) 1.80 0.00 3.56
assign ((resid 133 and name HA )) ( (resid 137 and name HN )) 1.80 0.00 3.28
assign ((resid 133 and name HB1 )) ( (resid 134 and name HN )) 1.80 0.00 2.70
assign ((resid 133 and name HB2 )) ( (resid 134 and name HN )) 1.80 0.00 2.70
assign ((resid 133 and name HD* )) ( (resid 134 and name HN )) 1.80 0.00 3.34
assign ((resid 133 and name HN )) ( (resid 133 and name HB1 )) 1.80 0.00 2.49
assign ((resid 133 and name HN )) ( (resid 133 and name HB2 )) 1.80 0.00 2.49
assign ((resid 133 and name HN )) ( (resid 133 and name HD* )) 1.80 0.00 3.22
assign ((resid 133 and name HN )) ( (resid 134 and name HN )) 1.80 0.00 1.93
assign ((resid 133 and name HN )) ( (resid 135 and name HN )) 1.80 0.00 3.89
assign ((resid 134 and name HA )) ( (resid 137 and name HN )) 1.80 0.00 3.00
assign ((resid 134 and name HB* )) ( (resid 135 and name HN )) 1.80 0.00 1.72
assign ((resid 134 and name HB* )) ( (resid 137 and name HN )) 1.80 0.00 3.90
assign ((resid 134 and name HB* )) ( (resid 138 and name HN )) 1.80 0.00 4.01
assign ((resid 134 and name HN )) ( (resid 134 and name HB* )) 1.80 0.00 1.29
assign ((resid 134 and name HN )) ( (resid 135 and name HN )) 1.80 0.00 2.04
assign ((resid 135 and name HB* )) ( (resid 136 and name HD* )) 1.80 0.00 3.80
assign ((resid 135 and name HB1 )) ( (resid 136 and name HN )) 1.80 0.00 2.62
assign ((resid 135 and name HB2 )) ( (resid 136 and name HN )) 1.80 0.00 2.62
assign ((resid 135 and name HN )) ( (resid 135 and name HB* )) 1.80 0.00 1.71
assign ((resid 135 and name HN )) ( (resid 136 and name HN )) 1.80 0.00 2.23
assign ((resid 136 and name HA )) ( (resid 136 and name HD* )) 1.80 0.00 2.67
assign ((resid 136 and name HB* )) ( (resid 137 and name HN )) 1.80 0.00 2.75
assign ((resid 136 and name HD* )) ( (resid 137 and name HN )) 1.80 0.00 3.73
assign ((resid 136 and name HN )) ( (resid 136 and name HB* )) 1.80 0.00 1.97
assign ((resid 136 and name HN )) ( (resid 136 and name HD* )) 1.80 0.00 2.28
assign ((resid 136 and name HN )) ( (resid 136 and name HE* )) 1.80 0.00 4.46
assign ((resid 136 and name HN )) ( (resid 137 and name HN )) 1.80 0.00 1.93
assign ((resid 136 and name HN )) ( (resid 138 and name HN )) 1.80 0.00 2.82
assign ((resid 137 and name HB* )) ( (resid 138 and name HN )) 1.80 0.00 2.64
assign ((resid 137 and name HN )) ( (resid 138 and name HN )) 1.80 0.00 1.81
assign ((resid 138 and name HA* )) ( (resid 139 and name HN )) 1.80 0.00 1.54
assign ((resid 138 and name HA* )) ( (resid 140 and name HN )) 1.80 0.00 2.96
assign ((resid 138 and name HN )) ( (resid 139 and name HN )) 1.80 0.00 3.35
assign ((resid 139 and name HA )) ( (resid 139 and name HG* )) 1.80 0.00 2.19
assign ((resid 139 and name HB* )) ( (resid 140 and name HN )) 1.80 0.00 2.77
assign ((resid 139 and name HG* )) ( (resid 140 and name HN )) 1.80 0.00 2.56
assign ((resid 139 and name HN )) ( (resid 139 and name HG* )) 1.80 0.00 2.45
assign ((resid 139 and name HN )) ( (resid 140 and name HN )) 1.80 0.00 1.94
assign ((resid 140 and name HA )) ( (resid 140 and name HG* )) 1.80 0.00 2.03
assign ((resid 140 and name HG* )) ( (resid 141 and name HN )) 1.80 0.00 2.63
assign ((resid 140 and name HN )) ( (resid 140 and name HB* )) 1.80 0.00 2.04
assign ((resid 140 and name HN )) ( (resid 140 and name HG1 )) 1.80 0.00 2.50
assign ((resid 140 and name HN )) ( (resid 140 and name HG2 )) 1.80 0.00 2.50
assign ((resid 140 and name HN )) ( (resid 141 and name HN )) 1.80 0.00 1.79
assign ((resid 141 and name HA )) ( (resid 141 and name HG2* )) 1.80 0.00 1.79
assign ((resid 141 and name HA )) ( (resid 142 and name HG2* )) 1.80 0.00 2.52
assign ((resid 141 and name HG2* )) ( (resid 142 and name HN )) 1.80 0.00 1.85
assign ((resid 141 and name HG2* )) ( (resid 144 and name HD* )) 1.80 0.00 2.49
assign ((resid 141 and name HG2* )) ( (resid 144 and name HE* )) 1.80 0.00 2.05
assign ((resid 141 and name HG2* )) ( (resid 144 and name HN )) 1.80 0.00 3.51
assign ((resid 141 and name HN )) ( (resid 141 and name HB )) 1.80 0.00 1.47
assign ((resid 141 and name HN )) ( (resid 141 and name HG2* )) 1.80 0.00 2.91
assign ((resid 141 and name HN )) ( (resid 142 and name HN )) 1.80 0.00 3.34
assign ((resid 142 and name HA )) ( (resid 142 and name HG1* )) 1.80 0.00 2.09
assign ((resid 142 and name HA )) ( (resid 142 and name HG2* )) 1.80 0.00 2.13
assign ((resid 142 and name HA )) ( (resid 143 and name HG* )) 1.80 0.00 3.82
assign ((resid 142 and name HG1* )) ( (resid 143 and name HD* )) 1.80 0.00 2.05
assign ((resid 142 and name HG2* )) ( (resid 143 and name HD* )) 1.80 0.00 3.32
assign ((resid 142 and name HN )) ( (resid 142 and name HG1* )) 1.80 0.00 2.80
assign ((resid 142 and name HN )) ( (resid 142 and name HG2* )) 1.80 0.00 1.79
assign ((resid 143 and name HA )) ( (resid 144 and name HD* )) 1.80 0.00 3.89
assign ((resid 143 and name HA )) ( (resid 144 and name HN )) 1.80 0.00 1.93
assign ((resid 143 and name HB* )) ( (resid 144 and name HN )) 1.80 0.00 2.52
assign ((resid 144 and name HA )) ( (resid 145 and name HB* )) 1.80 0.00 3.60
assign ((resid 144 and name HA )) ( (resid 145 and name HN )) 1.80 0.00 1.81
assign ((resid 144 and name HB* )) ( (resid 145 and name HN )) 1.80 0.00 2.07
assign ((resid 144 and name HD* )) ( (resid 145 and name HB* )) 1.80 0.00 3.96
assign ((resid 144 and name HD* )) ( (resid 145 and name HN )) 1.80 0.00 2.77
assign ((resid 144 and name HE* )) ( (resid 146 and name HG* )) 1.80 0.00 2.82
assign ((resid 144 and name HN )) ( (resid 144 and name HD* )) 1.80 0.00 2.73
assign ((resid 144 and name HN )) ( (resid 145 and name HN )) 1.80 0.00 3.69
assign ((resid 145 and name HA )) ( (resid 145 and name HD1* )) 1.80 0.00 3.15
assign ((resid 145 and name HA )) ( (resid 146 and name HN )) 1.80 0.00 1.84
assign ((resid 145 and name HB* )) ( (resid 145 and name HD2* )) 1.80 0.00 1.97
assign ((resid 145 and name HB1 )) ( (resid 145 and name HD1* )) 1.80 0.00 1.46
assign ((resid 145 and name HB1 )) ( (resid 146 and name HN )) 1.80 0.00 3.58
assign ((resid 145 and name HB2 )) ( (resid 145 and name HD1* )) 1.80 0.00 1.46
assign ((resid 145 and name HB2 )) ( (resid 146 and name HN )) 1.80 0.00 3.58
assign ((resid 145 and name HD1* )) ( (resid 146 and name HN )) 1.80 0.00 3.77
assign ((resid 145 and name HD2* )) ( (resid 146 and name HN )) 1.80 0.00 3.38
assign ((resid 145 and name HN )) ( (resid 145 and name HB1 )) 1.80 0.00 2.27
assign ((resid 145 and name HN )) ( (resid 145 and name HB2 )) 1.80 0.00 2.27
assign ((resid 145 and name HN )) ( (resid 145 and name HD1* )) 1.80 0.00 2.61
assign ((resid 145 and name HN )) ( (resid 145 and name HD2* )) 1.80 0.00 2.30
assign ((resid 145 and name HN )) ( (resid 145 and name HG )) 1.80 0.00 2.19
assign ((resid 145 and name HN )) ( (resid 146 and name HN )) 1.80 0.00 3.38
assign ((resid 146 and name HA )) ( (resid 146 and name HD* )) 1.80 0.00 3.63
assign ((resid 146 and name HB* )) ( (resid 146 and name HE )) 1.80 0.00 2.70
assign ((resid 146 and name HB* )) ( (resid 147 and name HN )) 1.80 0.00 2.47
assign ((resid 146 and name HN )) ( (resid 146 and name HD* )) 1.80 0.00 3.87
assign ((resid 146 and name HN )) ( (resid 146 and name HG* )) 1.80 0.00 2.82
assign ((resid 146 and name HN )) ( (resid 147 and name HN )) 1.80 0.00 2.61
assign ((resid 147 and name HA* )) ( (resid 148 and name HB* )) 1.80 0.00 3.29
assign ((resid 147 and name HA* )) ( (resid 148 and name HN )) 1.80 0.00 1.40
assign ((resid 148 and name HA )) ( (resid 148 and name HD1* )) 1.80 0.00 2.59
assign ((resid 148 and name HA )) ( (resid 148 and name HG )) 1.80 0.00 2.26
assign ((resid 148 and name HA )) ( (resid 149 and name HN )) 1.80 0.00 1.52
assign ((resid 148 and name HB* )) ( (resid 148 and name HD2* )) 1.80 0.00 1.48
assign ((resid 148 and name HB1 )) ( (resid 148 and name HD1* )) 1.80 0.00 1.94
assign ((resid 148 and name HB1 )) ( (resid 149 and name HN )) 1.80 0.00 3.05
assign ((resid 148 and name HB2 )) ( (resid 148 and name HD1* )) 1.80 0.00 1.94
assign ((resid 148 and name HB2 )) ( (resid 149 and name HN )) 1.80 0.00 3.05
assign ((resid 148 and name HD2* )) ( (resid 149 and name HN )) 1.80 0.00 2.45
assign ((resid 148 and name HG )) ( (resid 149 and name HN )) 1.80 0.00 3.60
assign ((resid 148 and name HN )) ( (resid 148 and name HD1* )) 1.80 0.00 3.36
assign ((resid 148 and name HN )) ( (resid 148 and name HD2* )) 1.80 0.00 3.74
assign ((resid 149 and name HA )) ( (resid 149 and name HG1 )) 1.80 0.00 2.50
assign ((resid 149 and name HA )) ( (resid 149 and name HG2 )) 1.80 0.00 2.50
assign ((resid 149 and name HB* )) ( (resid 150 and name HN )) 1.80 0.00 2.74
assign ((resid 149 and name HG* )) ( (resid 150 and name HN )) 1.80 0.00 3.74
assign ((resid 149 and name HN )) ( (resid 149 and name HB* )) 1.80 0.00 1.39
assign ((resid 149 and name HN )) ( (resid 149 and name HG1 )) 1.80 0.00 2.16
assign ((resid 149 and name HN )) ( (resid 149 and name HG2 )) 1.80 0.00 2.16
list of removed NOE constraints
====== TOTAL ======: 0
table of distance constraints violations
Residual Violations greater than 0.10
1-> LYS 10 HA - ARG 11 HN [ 1.80 3.39] 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.16 0.06 0.00 0.00 0.00 - 4 [ 0.06 .. 0.16]
17-> GLN 12 HB* - LYS 13 HN [ 1.80 4.31] 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.11 .. 0.17]
18-> GLN 12 HG* - LYS 13 HN [ 1.80 4.09] 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.28]
19-> GLN 12 HN - GLN 12 HB3 [ 1.80 3.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
26-> LYS 13 HA - TYR 14 HD* [ 1.80 4.81] 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 0.30 0.00 0.00 - 1 [ 0.30 .. 0.30]
28-> LYS 13 HB* - TYR 14 HN [ 1.80 4.18] 0.11 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.16 0.00 0.02 - 5 [ 0.02 .. 0.16]
29-> LYS 13 HD* - TYR 144 HE* [ 1.80 4.39] 0.00 0.00 0.06 0.22 0.00 0.01 0.00 0.02 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.01 .. 0.32]
30-> LYS 13 HE* - TYR 144 HE* [ 1.80 4.49] 0.06 0.13 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.04 0.00 0.00 0.04 0.00 - 6 [ 0.01 .. 0.13]
34-> LYS 13 HN - LYS 13 HB* [ 1.80 3.30] 0.00 0.00 0.06 0.00 0.00 0.00 0.12 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 - 3 [ 0.06 .. 0.12]
35-> LYS 13 HN - LYS 13 HE* [ 1.80 5.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.10 .. 0.50]
42-> TYR 14 HA - ALA 31 HB* [ 1.80 6.05] 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 0.11 0.00 - 2 [ 0.11 .. 0.15]
54-> TYR 14 HD* - ALA 27 HB* [ 1.80 4.42] 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
63-> TYR 14 HE* - ALA 27 HB* [ 1.80 3.61] 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 0.02 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.02 .. 0.22]
65-> TYR 14 HE* - ALA 31 HB* [ 1.80 4.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.06 0.05 0.00 0.00 0.07 0.00 0.00 0.00 0.00 - 4 [ 0.05 .. 0.29]
70-> TYR 14 HN - VAL 142 HG2* [ 1.80 4.64] 0.30 0.00 0.01 0.00 0.00 0.08 0.08 0.00 0.00 0.47 0.00 0.00 0.00 0.13 0.13 0.22 0.00 0.11 0.00 0.00 - 9 [ 0.01 .. 0.47]
90-> ALA 15 HN - VAL 28 HG1* [ 1.80 4.27] 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 - 2 [ 0.03 .. 0.13]
91-> ALA 15 HN - VAL 28 HG2* [ 1.80 3.63] 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
102-> MET 16 HE* - LYS 17 HN [ 1.80 5.26] 0.13 0.00 0.00 0.00 0.04 0.00 0.05 0.00 0.00 0.04 0.09 0.00 0.01 0.08 0.02 0.00 0.00 0.00 0.00 0.02 - 10 [ 0.00 .. 0.13]
116-> MET 16 HE* - GLY 59 HN [ 1.80 5.51] 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 - 4 [ 0.01 .. 0.20]
139-> LYS 17 HD* - LEU 20 HD2* [ 1.80 4.43] 0.33 0.14 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.01 0.00 0.26 0.18 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.01 .. 0.54]
157-> LEU 20 HA - LEU 20 HD2* [ 1.80 3.09] 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.26 .. 0.39]
162-> LEU 20 HB* - LYS 25 HE* [ 1.80 4.08] 0.00 0.00 0.46 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 0.00 - 2 [ 0.36 .. 0.46]
168-> LEU 20 HD1* - GLU 24 HB* [ 1.80 3.96] 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.25]
169-> LEU 20 HD1* - GLU 24 HG* [ 1.80 5.60] 0.00 0.00 0.32 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 0.00 0.00 0.00 - 2 [ 0.03 .. 0.32]
183-> LEU 20 HN - LEU 20 HG [ 1.80 3.65] 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
294-> VAL 28 HG1* - VAL 142 HG2* [ 1.80 3.26] 0.16 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 0.01 0.00 0.00 - 2 [ 0.01 .. 0.16]
297-> VAL 28 HG2* - MET 63 HE* [ 1.80 4.98] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
310-> ILE 29 HD1* - GLU 53 HG2 [ 1.80 4.15] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.43 .. 0.43]
316-> ILE 29 HD1* - GLY 59 HN [ 1.80 6.05] 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 - 4 [ 0.01 .. 0.13]
327-> ILE 29 HG2* - GLU 53 HG2 [ 1.80 4.18] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.22]
388-> ARG 34 HA - ARG 39 HN [ 1.80 3.73] 0.07 0.00 0.00 0.07 0.00 0.18 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.07 .. 0.18]
402-> ILE 36 HA - ILE 36 HD1* [ 1.80 3.76] 0.08 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 0.11]
411-> ILE 36 HD1* - HIS 96 HD2 [ 1.80 4.94] 0.89 0.56 0.11 0.00 0.03 0.19 0.00 0.00 1.16 0.00 0.66 0.00 0.00 0.32 0.00 0.00 0.08 0.00 0.00 0.00 - 9 [ 0.03 .. 1.16]
412-> ILE 36 HD1* - PRO 143 HD* [ 1.80 5.30] 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 0.00 0.00 - 1 [ 0.44 .. 0.44]
421-> ILE 36 HG2* - VAL 67 HG1* [ 1.80 4.06] 0.00 0.05 0.00 0.00 0.00 0.00 0.11 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.05 .. 0.11]
424-> ILE 36 HG2* - LEU 70 HD2* [ 1.80 4.59] 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 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
443-> PHE 37 HD* - LEU 70 HB* [ 1.80 4.92] 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 0.43 0.00 0.00 - 1 [ 0.43 .. 0.43]
455-> ARG 39 HB* - ASP 40 HN [ 1.80 3.66] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.23 0.08 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 0.23]
456-> ARG 39 HB* - ILE 41 HG2* [ 1.80 5.00] 0.08 0.00 0.00 0.00 0.13 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.01 0.00 0.00 0.00 0.12 - 6 [ 0.01 .. 0.13]
457-> ARG 39 HD* - ILE 41 HG2* [ 1.80 4.76] 0.00 0.00 0.25 0.00 0.89 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.33 0.00 0.00 - 6 [ 0.00 .. 0.89]
459-> ARG 39 HN - ARG 39 HD* [ 1.80 5.08] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 - 3 [ 0.04 .. 0.19]
469-> ILE 41 HB - THR 42 HN [ 1.80 5.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 - 1 [ 0.16 .. 0.16]
476-> ILE 41 HD1* - TYR 45 HE* [ 1.80 5.41] 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.09 0.00 0.00 0.00 0.07 0.00 0.00 0.20 0.00 0.00 0.00 0.00 - 4 [ 0.07 .. 0.20]
483-> ILE 41 HG2* - TYR 45 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.32 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 [ 0.32 .. 0.32]
484-> ILE 41 HG2* - TYR 45 HD* [ 1.80 4.06] 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.12 0.07 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.07 .. 0.78]
485-> ILE 41 HG2* - TYR 45 HE* [ 1.80 4.65] 0.32 0.00 0.00 0.02 0.00 0.03 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.02 .. 0.32]
502-> THR 42 HG2* - TYR 45 HE* [ 1.80 4.61] 0.00 0.01 0.00 0.54 0.00 0.00 0.00 0.00 0.00 1.14 0.04 0.00 0.00 0.13 0.05 0.00 0.06 0.00 0.08 0.00 - 8 [ 0.01 .. 1.14]
514-> ALA 44 HB* - TYR 45 HA [ 1.80 4.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.16]
520-> TYR 45 HA - TYR 45 HD* [ 1.80 3.64] 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.09 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 - 4 [ 0.08 .. 0.12]
521-> TYR 45 HB* - SER 46 HN [ 1.80 3.88] 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.10 - 3 [ 0.01 .. 0.11]
523-> TYR 45 HB* - ILE 49 HG2* [ 1.80 4.57] 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.04 .. 0.32]
526-> TYR 45 HE* - LEU 75 HD1* [ 1.80 4.88] 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.29 - 4 [ 0.06 .. 1.20]
527-> TYR 45 HE* - LEU 75 HD2* [ 1.80 5.05] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.27]
529-> TYR 45 HN - TYR 45 HD* [ 1.80 3.96] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.16 0.00 0.00 - 2 [ 0.07 .. 0.16]
532-> SER 46 HB* - ILE 49 HD1* [ 1.80 3.88] 0.44 0.00 0.12 2.16 0.00 0.30 0.00 0.00 0.07 0.29 0.00 0.00 0.02 0.00 0.07 0.40 0.30 0.00 0.03 0.00 - 11 [ 0.02 .. 2.16]
537-> SER 46 HN - ILE 49 HG12 [ 1.80 6.38] 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.07 .. 0.43]
546-> SER 48 HB* - ILE 49 HD1* [ 1.80 4.96] 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]
547-> SER 48 HB* - ILE 49 HG13 [ 1.80 6.05] 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]
566-> ILE 49 HG2* - LEU 70 HD1* [ 1.80 4.85] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.07 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.06 .. 0.34]
662-> GLN 55 HN - GLN 55 HE21 [ 1.80 5.35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 - 3 [ 0.02 .. 0.18]
736-> ILE 61 HD1* - ARG 69 HD* [ 1.80 5.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.18]
763-> MET 63 HG* - PRO 143 HD* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 - 1 [ 0.22 .. 0.22]
767-> MET 63 HN - GLU 140 HA [ 1.80 4.66] 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 0.15 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
779-> LYS 64 HD* - GLU 139 HA [ 1.80 4.69] 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 0.00 - 1 [ 0.11 .. 0.11]
780-> LYS 64 HE3 - VAL 128 HG1* [ 1.80 3.89] 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 0.18 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
804-> PHE 66 HZ - LEU 70 HD2* [ 1.80 3.73] 0.00 0.06 0.01 0.00 0.06 0.36 0.50 0.08 0.28 0.00 0.04 0.00 0.00 0.03 0.08 0.00 0.09 0.09 0.03 0.00 - 13 [ 0.01 .. 0.50]
819-> VAL 67 HG1* - VAL 128 HG1* [ 1.80 4.10] 0.24 0.00 0.00 0.17 0.00 0.08 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.11 0.11 0.00 0.00 0.00 0.02 - 9 [ 0.00 .. 0.24]
822-> VAL 67 HG1* - PRO 143 HG* [ 1.80 4.36] 0.00 0.00 0.00 0.00 0.62 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 [ 0.62 .. 0.62]
827-> VAL 67 HG2* - VAL 128 HG1* [ 1.80 5.06] 0.23 0.06 0.00 0.00 0.05 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.09 0.11 - 8 [ 0.00 .. 0.23]
829-> VAL 67 HG2* - PRO 143 HD* [ 1.80 3.81] 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
830-> VAL 67 HG2* - PRO 143 HG* [ 1.80 4.04] 0.00 0.00 0.00 0.00 0.66 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 [ 0.66 .. 0.66]
881-> LYS 72 HA - PRO 121 HB* [ 1.80 4.98] 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 0.04 0.00 0.14 0.00 0.00 0.00 0.00 - 3 [ 0.04 .. 0.14]
968-> PHE 80 HB* - LEU 92 HD1* [ 1.80 4.31] 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.34 .. 0.34]
969-> PHE 80 HD* - LEU 92 HD1* [ 1.80 3.66] 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 0.00 - 1 [ 0.11 .. 0.11]
973-> PHE 80 HZ - LEU 92 HD2* [ 1.80 5.32] 0.14 0.06 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.02 0.00 0.01 0.00 0.03 0.00 0.00 0.06 0.02 0.00 - 8 [ 0.01 .. 0.14]
987-> PHE 81 HN - PRO 83 HD* [ 1.80 4.44] 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 0.00 0.00 0.00 0.00 0.00 0.71 0.00 - 1 [ 0.71 .. 0.71]
1002-> PHE 84 HA - ILE 85 HG2* [ 1.80 4.44] 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 0.00 0.00 0.00 0.00 0.00 0.21 0.00 - 1 [ 0.21 .. 0.21]
1021-> ILE 85 HD1* - SER 87 HB* [ 1.80 4.75] 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 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
1094-> LEU 90 HD2* - PHE 94 HE* [ 1.80 4.17] 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.04 .. 0.23]
1108-> LEU 90 HG - LEU 123 HD1* [ 1.80 4.25] 0.10 0.03 0.03 0.07 0.02 0.06 0.01 0.01 0.00 0.00 0.11 0.02 0.04 0.04 0.00 0.01 0.09 0.00 0.05 0.05 - 17 [ 0.00 .. 0.11]
1134-> LEU 92 HA - ARG 95 HD* [ 1.80 4.69] 0.00 0.00 0.00 0.00 0.17 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 - 2 [ 0.17 .. 0.19]
1198-> ARG 95 HD* - LEU 145 HD2* [ 1.80 5.00] 0.00 1.37 0.30 0.00 0.37 0.37 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 [ 0.30 .. 1.37]
1200-> ARG 95 HG* - LEU 145 HD2* [ 1.80 5.00] 0.00 0.06 0.00 0.00 0.01 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 - 3 [ 0.01 .. 0.12]
1205-> HIS 96 HA - HIS 96 HD2 [ 1.80 4.02] 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.55 .. 0.64]
1236-> ILE 97 HG2* - TYR 133 HD* [ 1.80 4.59] 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.02 0.00 0.00 0.17 0.00 0.00 0.00 0.00 - 4 [ 0.02 .. 0.17]
1246-> LEU 98 HA - LEU 98 HD2* [ 1.80 3.47] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.32]
1263-> LEU 98 HD2* - TYR 133 HA [ 1.80 4.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 - 1 [ 0.36 .. 0.36]
1267-> LEU 98 HG - LEU 127 HD2* [ 1.80 3.97] 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 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
1274-> GLY 99 HA* - LEU 145 HD2* [ 1.80 4.07] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
1311-> ARG 105 HD* - GLN 109 HE22 [ 1.80 5.19] 0.03 0.09 0.00 0.00 0.47 0.00 0.00 0.21 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.40 0.34 0.00 - 7 [ 0.03 .. 0.47]
1417-> TYR 111 HE* - LEU 123 HD1* [ 1.80 4.17] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 - 3 [ 0.02 .. 0.13]
1542-> PRO 121 HG* - ALA 122 HN [ 1.80 3.84] 0.00 0.00 0.09 0.11 0.02 0.10 0.01 0.00 0.09 0.07 0.03 0.11 0.00 0.09 0.00 0.01 0.00 0.02 0.08 0.07 - 14 [ 0.01 .. 0.11]
1590-> ASP 125 HA - VAL 128 HG2* [ 1.80 3.95] 0.05 0.00 0.05 0.00 0.06 0.18 0.00 0.03 0.05 0.00 0.05 0.03 0.00 0.09 0.06 0.04 0.05 0.00 0.14 0.15 - 14 [ 0.03 .. 0.18]
1628-> VAL 128 HG1* - TYR 133 HD* [ 1.80 6.08] 0.07 0.00 0.00 0.05 0.00 0.00 0.05 0.00 0.06 0.00 0.00 0.06 0.00 0.09 0.00 0.12 0.17 0.00 0.00 0.00 - 8 [ 0.05 .. 0.17]
1630-> VAL 128 HG2* - TYR 133 HD* [ 1.80 6.05] 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 0.29 0.00 0.00 0.00 - 1 [ 0.29 .. 0.29]
1678-> TYR 133 HA - PHE 137 HN [ 1.80 5.08] 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.48]
1702-> TYR 136 HN - TYR 136 HD* [ 1.80 4.08] 0.08 0.00 0.00 0.00 0.11 0.06 0.13 0.00 0.11 0.00 0.10 0.00 0.00 0.00 0.11 0.11 0.00 0.00 0.07 0.00 - 9 [ 0.06 .. 0.13]
1705-> TYR 136 HN - GLY 138 HN [ 1.80 4.62] 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
1717-> GLU 140 HG* - THR 141 HN [ 1.80 4.43] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.10 - 3 [ 0.01 .. 0.15]
1726-> THR 141 HG2* - TYR 144 HE* [ 1.80 3.85] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.29 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.15 .. 1.70]
1744-> TYR 144 HD* - LEU 145 HB* [ 1.80 5.76] 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 0.03 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.11]
1745-> TYR 144 HD* - LEU 145 HN [ 1.80 4.57] 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.15 0.00 - 3 [ 0.08 .. 0.22]
1746-> TYR 144 HE* - ARG 146 HG* [ 1.80 4.62] 0.00 0.79 0.00 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.09 0.17 0.00 0.12 0.00 0.39 0.00 - 7 [ 0.09 .. 4.31]
1762-> LEU 145 HN - LEU 145 HG [ 1.80 3.99] 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.02 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 - 4 [ 0.02 .. 0.35]
1774-> LEU 148 HA - GLU 149 HN [ 1.80 3.32] 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.07 0.00 0.00 0.07 0.00 - 4 [ 0.07 .. 0.21]
1780-> LEU 148 HD2* - GLU 149 HN [ 1.80 4.25] 0.00 0.00 0.00 0.07 0.00 0.00 0.57 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.32 0.00 0.01 0.33 0.00 - 6 [ 0.01 .. 0.57]
1788-> GLU 149 HN - GLU 149 HB* [ 1.80 3.19] 0.06 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.05 .. 0.10]
1805-> ALA 32 HN - VAL 28 O [ 1.70 2.30] 0.05 0.04 0.00 0.00 0.00 0.02 0.09 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.12 0.03 0.00 0.00 - 7 [ 0.02 .. 0.12]
1811-> GLN 35 HN - ALA 31 O [ 1.70 2.30] 0.09 0.06 0.00 0.00 0.12 0.12 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.04 0.00 - 7 [ 0.04 .. 0.12]
1815-> TYR 45 HN - THR 42 O [ 1.70 2.30] 0.00 0.04 0.00 0.12 0.05 0.27 0.00 0.00 0.08 0.06 0.00 0.05 0.15 0.00 0.06 0.00 0.00 0.00 0.00 0.03 - 10 [ 0.03 .. 0.27]
1816-> TYR 45 N - THR 42 O [ 2.70 3.30] 0.00 0.02 0.00 0.07 0.00 0.22 0.00 0.00 0.06 0.01 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.01 .. 0.22]
1817-> TYR 51 HN - GLN 47 O [ 1.70 2.30] 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 0.06 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.11]
1845-> LYS 72 HN - ARG 68 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.07 0.08 0.04 0.05 0.11 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.06 0.00 - 8 [ 0.00 .. 0.33]
1847-> SER 73 HN - LEU 70 O [ 1.70 2.30] 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.05 0.03 0.00 0.01 0.00 0.01 0.03 0.01 0.02 - 10 [ 0.00 .. 0.16]
1867-> VAL 142 HN - TYR 14 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
1869-> MET 16 HN - GLU 140 O [ 1.70 2.30] 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1881-> SER 113 HN - GLN 109 O [ 1.70 2.30] 0.00 0.00 0.04 0.02 0.00 0.02 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 - 6 [ 0.00 .. 0.11]
1905-> TYR 136 HN - GLU 132 O [ 1.70 2.30] 0.03 0.30 0.00 0.00 0.02 0.07 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.11 0.00 0.00 0.00 - 7 [ 0.02 .. 0.30]
-------------------------------------------
Number of Violations greater than 0.10 20 11 12 11 11 18 9 6 10 19 11 10 5 10 5 12 8 8 11 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: 10 4 5 5 5 11 5 2 7 9 7 5 2 4 5 8 5 4 5 6 5.70
0.2 - 0.5 ang: 9 3 7 3 3 6 1 3 2 6 2 4 2 5 0 4 3 4 5 1 3.65
> 0.5 ang: 1 4 0 3 3 1 3 1 1 4 2 1 1 1 0 0 0 0 1 0 1.35
Total : 58 45 45 40 42 50 41 24 38 53 55 31 43 50 39 39 36 35 51 38 42.65
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 : 0.885 1.366 0.465 2.159 0.893 4.306 0.590 0.549 1.156 1.199 0.658 0.503 0.637 1.705 0.181 0.404 0.365 0.433 0.710 0.292 4.306
Max Intra Viol : 0.099 0.591 0.260 0.081 0.108 0.185 0.126 0.549 0.108 0.642 0.393 0.503 0.101 0.325 0.109 0.108 0.094 0.159 0.345 0.047 0.642
Max Seque Viol : 0.279 0.216 0.089 0.119 0.046 0.114 0.571 0.166 0.199 0.074 0.162 0.107 0.230 0.119 0.052 0.324 0.083 0.304 0.331 0.156 0.571
Max Medium Viol : 0.435 0.788 0.379 2.159 0.893 4.306 0.590 0.211 0.284 1.135 0.536 0.441 0.637 1.705 0.181 0.404 0.296 0.400 0.710 0.150 4.306
Max Long Viol : 0.885 1.366 0.465 0.471 0.664 0.368 0.221 0.338 1.156 1.199 0.658 0.133 0.051 0.322 0.126 0.219 0.365 0.433 0.109 0.292 1.366
Average Violation : 0.003 0.003 0.002 0.003 0.003 0.005 0.002 0.001 0.002 0.004 0.002 0.002 0.001 0.003 0.001 0.002 0.002 0.002 0.002 0.001 0.00237
Avge Intra Viol : 0.001 0.001 0.001 0.000 0.000 0.001 0.001 0.002 0.001 0.003 0.002 0.002 0.000 0.001 0.000 0.000 0.000 0.001 0.001 0.000 0.00092
Avge Seque Viol : 0.004 0.005 0.005 0.009 0.005 0.014 0.004 0.001 0.003 0.006 0.002 0.004 0.003 0.008 0.002 0.002 0.002 0.003 0.004 0.002 0.00438
Avge Mediu Viol : 0.001 0.001 0.000 0.001 0.000 0.001 0.002 0.001 0.001 0.000 0.001 0.001 0.001 0.001 0.000 0.002 0.000 0.001 0.002 0.001 0.00097
Avge Long Viol : 0.008 0.006 0.002 0.003 0.006 0.005 0.002 0.001 0.005 0.009 0.004 0.001 0.000 0.002 0.001 0.004 0.004 0.002 0.002 0.002 0.00354
RMS Violation : 0.031 0.044 0.021 0.057 0.035 0.101 0.024 0.018 0.030 0.049 0.025 0.023 0.017 0.043 0.010 0.017 0.016 0.019 0.025 0.011 0.03696
RMS Intra : 0.007 0.027 0.014 0.005 0.005 0.010 0.010 0.026 0.007 0.032 0.020 0.025 0.006 0.016 0.006 0.006 0.004 0.008 0.017 0.002 0.01535
RMS Sequential : 0.032 0.047 0.031 0.111 0.049 0.202 0.037 0.011 0.020 0.063 0.027 0.035 0.031 0.084 0.015 0.021 0.019 0.025 0.042 0.013 0.06289
RMS Medium range : 0.015 0.012 0.004 0.008 0.003 0.007 0.026 0.009 0.011 0.005 0.012 0.009 0.014 0.010 0.003 0.017 0.005 0.016 0.021 0.010 0.01236
RMS Long range : 0.053 0.072 0.027 0.028 0.053 0.031 0.015 0.019 0.059 0.071 0.038 0.010 0.004 0.019 0.010 0.022 0.026 0.023 0.010 0.016 0.03627
Final --global-- Summary for 20 models, 1906 NOEs/model, 38120 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 90.353
Summ sq. viol : 52.070
Maximum viol : 4.306
Average viol : 0.00237
RMSD viol : 0.03696
Std. Dev. viol : 0.03688
RMS Intra : 0.01535
RMS Seque : 0.06289
RMS Medi : 0.01236
RMS Long : 0.03627
table of dihedral angle constraints violations
1-> [TYR A 14] PHI -149.5 -64.1 15.7 0.0 19.7 17.3 0.0 0.0 0.0 17.4 0.0 0.0 0.0 5.8 0.0 0.0 0.0 0.0 14.4 12.3 14.1 0.0 - 8 [ 0.0 .. 19.7]
99-> [TYR A 76] PHI -83.8 -43.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.4]
130-> [LEU A 98] PSI -45.4 34.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.9 0.0 - 2 [ 0.0 .. 6.9]
188-> [PHE A 137] PSI -40.7 37.5 6.2 9.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 10.4 0.0 7.1 0.0 0.0 7.3 7.7 1.5 - 8 [ 0.0 .. 10.4]
---- 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 : 1 1 0 0 0 0 0 0 0 2 1 1 0 0 1 0 0 1 2 1 0.55
> 10. degrees : 1 0 1 1 0 0 0 1 0 0 0 0 1 0 0 0 1 1 1 0 0.40
Total : 2 1 1 1 0 0 0 1 0 3 1 1 1 0 1 0 1 2 3 1 1.00
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 : 15.7 9.0 19.7 17.3 0.0 0.0 0.0 17.4 0.0 1.4 5.9 5.8 10.4 0.0 7.1 0.0 14.4 12.3 14.1 1.5 19.68
Max PHI Viol : 15.7 0.0 19.7 17.3 0.0 0.0 0.0 17.4 0.0 1.4 0.0 5.8 0.0 0.0 0.0 0.0 14.4 12.3 14.1 0.0 19.68
Max PSI Viol : 6.2 9.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 5.9 0.0 10.4 0.0 7.1 0.0 0.0 7.3 7.7 1.5 10.39
Average Violation : 0.1 0.0 0.1 0.1 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.1 0.1 0.1 0.0 0.046
Avge PHI Viol : 0.401 0.000 0.448 0.420 0.000 0.000 0.000 0.421 0.000 0.135 0.000 0.243 0.000 0.000 0.000 0.000 0.384 0.355 0.379 0.000 0.246
Avge PSI Viol : 0.253 0.304 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.103 0.245 0.000 0.326 0.000 0.269 0.000 0.000 0.273 0.386 0.126 0.179
RMS Violation : 1.210 0.645 1.406 1.236 0.000 0.000 0.000 1.242 0.000 0.127 0.419 0.412 0.742 0.000 0.507 0.000 1.031 1.024 1.246 0.110 0.767
RMS PHI Viol : 1.591 0.000 1.988 1.747 0.000 0.000 0.000 1.756 0.000 0.147 0.000 0.583 0.000 0.000 0.000 0.000 1.458 1.247 1.421 0.000 0.966
RMS PSI Viol : 0.631 0.913 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.105 0.593 0.000 1.050 0.000 0.717 0.000 0.000 0.737 1.042 0.156 0.493
Final --global-- Summary for 20 models, 196 ACOs/model, 3920 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 181.61
Summ. Sq. Viol. : 2307.54
Max. Viol. : 19.681
Avg. Viol. : 0.04633
RMS Viol. : 0.76724
Std. Dev. Viol. : 0.76584
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
# -----------------------------------------------------------------------------------
PRO A 1 0.273 0.932 0.888
GLN A 2 0.480 0.217 0.251 0.448 0.761
SER A 3 0.312 0.387 0.338
TYR A 4 0.426 0.442 0.382 0.983
PHE A 5 0.639 0.243 0.401 0.907
ASN A 6 0.236 0.459 0.492 0.741
ALA A 7 0.681 0.475
ALA A 8 0.701 0.329
ALA A 9 0.474 0.328
LYS A 10 0.262 0.262 0.738 0.801 0.872 0.925
ARG A 11 0.367 0.509 0.569 0.598 0.862 0.627 1.000
GLN A 12 0.534 0.647 0.385 0.543 0.856
LYS A 13 0.626 0.827 0.918 0.524 0.996 0.863
TYR A 14 0.949 0.975 0.997 0.721 14 14
ALA A 15 0.981 0.995 15 15
MET A 16 0.990 0.957 0.878 0.401 0.217 16 16
LYS A 17 0.945 0.998 0.535 0.999 0.598 1.000 17 17
PRO A 18 0.995 0.879 0.909 0.823 18
GLY A 19 0.853 0.931 19
LEU A 20 0.969 0.996 0.828 0.831 20 20
SER A 21 0.999 0.997 0.855 21 21
ALA A 22 1.000 0.999 22 22
LEU A 23 0.999 1.000 1.000 1.000 23 23
GLU A 24 1.000 0.999 0.941 0.996 0.929 24 24
LYS A 25 1.000 0.999 0.895 0.996 0.868 0.998 25 25
ASN A 26 1.000 1.000 0.891 0.916 26 26
ALA A 27 1.000 1.000 27 27
VAL A 28 0.999 0.999 1.000 28 28
ILE A 29 1.000 0.999 1.000 0.839 29 29
LYS A 30 1.000 0.999 0.721 1.000 1.000 1.000 30 30
ALA A 31 1.000 0.999 31 31
ALA A 32 1.000 0.999 32 32
TYR A 33 0.999 0.996 0.996 0.381 33 33
ARG A 34 0.999 0.992 0.685 0.730 0.652 0.830 1.000 34 34
GLN A 35 0.993 0.997 0.865 0.768 0.819 35 35
ILE A 36 0.997 0.992 0.999 0.767 36 36
PHE A 37 0.994 0.977 0.999 0.896 37 37
GLU A 38 0.998 0.994 0.999 1.000 0.922 38 38
ARG A 39 0.549 0.595 0.315 0.681 0.223 0.639 1.000
ASP A 40 0.650 0.457 0.636 0.953
ILE A 41 0.675 0.847 0.936 0.999
THR A 42 0.685 0.784 0.046
LYS A 43 0.554 0.334 0.692 0.930 0.827 0.935
ALA A 44 0.275 0.846
TYR A 45 0.681 0.288 0.620 0.406
SER A 46 0.290 0.373 0.596
GLN A 47 0.457 0.884 0.932 0.668 0.941
SER A 48 0.997 0.995 0.454 48 48
ILE A 49 0.998 0.999 0.999 0.463 49 49
SER A 50 0.999 0.998 0.604 50 50
TYR A 51 1.000 0.997 0.998 0.999 51 51
LEU A 52 0.999 0.999 1.000 1.000 52 52
GLU A 53 0.999 0.998 0.933 0.998 0.871 53 53
SER A 54 0.999 0.998 1.000 54 54
GLN A 55 1.000 0.999 0.999 0.586 0.806 55 55
VAL A 56 0.998 0.999 0.999 56 56
ARG A 57 0.999 0.998 0.792 0.994 0.313 0.740 1.000 57 57
ASN A 58 0.997 0.992 1.000 0.999 58 58
GLY A 59 0.992 0.997 59 59
ASP A 60 0.997 0.999 0.999 0.971 60 60
ILE A 61 0.999 0.997 1.000 1.000 61 61
SER A 62 0.993 0.993 0.916 62 62
MET A 63 0.997 0.992 0.674 0.610 0.488 63 63
LYS A 64 0.998 0.996 0.816 0.894 0.590 0.790 64 64
GLU A 65 0.999 0.999 0.583 0.314 0.900 65 65
PHE A 66 0.999 0.998 0.996 0.958 66 66
VAL A 67 0.999 0.999 1.000 67 67
ARG A 68 0.998 0.995 0.797 0.998 0.664 0.597 1.000 68 68
ARG A 69 0.999 0.999 0.998 0.742 0.929 0.658 1.000 69 69
LEU A 70 0.999 0.998 0.999 0.999 70 70
ALA A 71 0.999 0.997 71 71
LYS A 72 0.990 0.981 0.712 0.922 0.445 0.768 72 72
SER A 73 0.998 0.996 0.363 73 73
PRO A 74 0.999 0.999 0.972 0.941 74 74
LEU A 75 0.999 0.996 0.903 0.862 75 75
TYR A 76 0.995 0.996 0.996 0.996 76 76
ARG A 77 0.997 0.997 0.505 0.930 0.769 0.694 1.000 77 77
LYS A 78 0.995 0.990 0.672 0.929 1.000 1.000 78 78
GLN A 79 0.985 0.061 0.998 0.999 0.997
PHE A 80 0.128 0.756 0.938 0.890
PHE A 81 0.800 0.983 0.997 0.998
GLU A 82 0.905 0.902 0.571 1.000 0.956 82 82
PRO A 83 0.990 0.934 0.961 0.939 83 83
PHE A 84 0.986 0.886 0.999 0.998 84
ILE A 85 0.891 0.987 0.845 0.935 85
ASN A 86 0.999 0.998 0.920 0.996 86 86
SER A 87 0.999 0.997 0.526 87 87
ARG A 88 0.997 0.999 0.869 0.715 0.931 0.887 1.000 88 88
ALA A 89 1.000 1.000 89 89
LEU A 90 0.999 0.999 0.999 1.000 90 90
GLU A 91 0.999 0.999 0.772 0.998 0.937 91 91
LEU A 92 1.000 0.997 0.946 0.999 92 92
ALA A 93 1.000 0.999 93 93
PHE A 94 0.999 0.996 0.931 0.486 94 94
ARG A 95 0.998 0.997 0.640 0.993 0.536 0.504 1.000 95 95
HIS A 96 0.986 0.985 0.613 0.313 96 96
ILE A 97 0.988 0.995 0.999 0.964 97 97
LEU A 98 0.992 0.982 0.992 0.868 98 98
GLY A 99 0.982 0.952 99 99
ARG A 100 0.932 0.316 0.284 0.597 0.425 0.567 1.000
GLY A 101 0.225 0.979
PRO A 102 0.992 0.934 0.911 0.837 102 102
SER A 103 0.953 0.969 0.485 103 103
SER A 104 0.895 0.977 0.549 104
ARG A 105 1.000 0.997 0.936 0.992 0.576 0.695 1.000 105 105
GLU A 106 0.999 0.999 0.874 1.000 1.000 106 106
GLU A 107 0.999 0.999 0.879 0.944 0.797 107 107
VAL A 108 1.000 0.999 1.000 108 108
GLN A 109 1.000 0.999 1.000 0.998 0.928 109 109
LYS A 110 0.999 0.999 0.999 0.998 1.000 0.999 110 110
TYR A 111 0.997 1.000 0.997 0.662 111 111
PHE A 112 1.000 1.000 0.999 1.000 112 112
SER A 113 0.999 0.999 0.756 113 113
ILE A 114 0.999 1.000 1.000 1.000 114 114
VAL A 115 0.999 1.000 1.000 115 115
SER A 116 0.999 0.998 0.934 116 116
SER A 117 0.999 0.993 0.720 117 117
GLY A 118 0.983 0.918 118 118
GLY A 119 0.918 0.994 119 119
LEU A 120 0.999 0.999 0.999 0.999 120 120
PRO A 121 0.999 0.998 0.954 0.891 121 121
ALA A 122 1.000 1.000 122 122
LEU A 123 1.000 1.000 1.000 1.000 123 123
VAL A 124 1.000 0.999 1.000 124 124
ASP A 125 0.999 0.999 0.948 0.925 125 125
ALA A 126 1.000 0.999 126 126
LEU A 127 0.999 0.999 0.999 0.999 127 127
VAL A 128 0.998 0.998 0.999 128 128
ASP A 129 0.989 0.967 0.998 0.986 129 129
SER A 130 0.991 0.988 0.859 130 130
GLN A 131 0.999 0.997 0.819 0.708 0.800 131 131
GLU A 132 0.999 0.998 0.760 0.812 0.982 132 132
TYR A 133 0.997 0.996 0.596 0.717 133 133
ALA A 134 0.997 0.994 134 134
ASP A 135 0.996 0.996 0.930 0.952 135 135
TYR A 136 0.982 0.987 0.601 0.623 136 136
PHE A 137 0.962 0.970 0.586 0.847 137 137
GLY A 138 0.964 0.953 138 138
GLU A 139 0.983 0.986 0.338 0.894 0.908 139 139
GLU A 140 0.984 0.989 0.999 0.823 0.944 140 140
THR A 141 0.996 0.998 0.999 141 141
VAL A 142 0.990 0.996 0.999 142 142
PRO A 143 0.978 0.896 0.904 0.852 143
TYR A 144 0.902 0.653 0.331 0.836
LEU A 145 0.868 0.562 0.898 0.856
ARG A 146 0.468 0.230 0.416 0.601 0.423 0.584 1.000
GLY A 147 0.264 0.345
LEU A 148 0.333 0.412 0.649 0.677
GLU A 149 0.729 0.408 0.843 0.734 0.921
HIS A 150 0.692 0.474 0.513 0.476
HIS A 151 0.522 0.185 0.338 0.291
HIS A 152 0.715 0.537 0.588 0.512
HIS A 153 0.691 0.209 0.445 0.469
HIS A 154 0.544 0.337 0.232 0.377
HIS A 155 0.783 0.550 0.277
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 `SGR209C_R3Cons_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 1 is: 1.109
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 2 is: 0.945
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 3 is: 0.963
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 4 is: 0.697
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 5 is: 1.157
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 6 is: 0.862
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 7 is: 1.044
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 8 is: 1.158
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 9 is: 0.821
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 10 is: 0.773
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 11 is: 0.910
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 12 is: 0.671
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 13 is: 0.742
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 14 is: 1.167
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 15 is: 0.667 (*)
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 16 is: 0.769
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 17 is: 1.003
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 18 is: 1.038
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 19 is: 0.803
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 20 is: 0.697
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[14..17],[20..38],[48..78],[82..83],[86..99],[102..103],[105..142], is: 0.900
> Range of RMSD values to reference struct. is 0.667 to 1.167
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 1 is: 1.450
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 2 is: 1.544
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 3 is: 1.360
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 4 is: 1.102
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 5 is: 1.503
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 6 is: 1.248
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 7 is: 1.370
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 8 is: 1.523
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 9 is: 1.173
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 10 is: 1.176
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 11 is: 1.292
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 12 is: 1.011
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 13 is: 1.185
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 14 is: 1.466
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 15 is: 0.976 (*)
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 16 is: 1.117
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 17 is: 1.364
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 18 is: 1.335
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 19 is: 1.369
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[82..83],A[86..99],A[102..103],A[105..142],for model 20 is: 1.079
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[14..17],[20..38],[48..78],[82..83],[86..99],[102..103],[105..142], is: 1.282
> Range of RMSD values to reference struct. is 0.976 to 1.544
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..155],for model 1 is: 4.507
> Kabsch RMSD of backb atoms in res. *[1..155],for model 2 is: 7.345
> Kabsch RMSD of backb atoms in res. *[1..155],for model 3 is: 3.381
> Kabsch RMSD of backb atoms in res. *[1..155],for model 4 is: 3.292
> Kabsch RMSD of backb atoms in res. *[1..155],for model 5 is: 5.849
> Kabsch RMSD of backb atoms in res. *[1..155],for model 6 is: 4.621
> Kabsch RMSD of backb atoms in res. *[1..155],for model 7 is: 4.433
> Kabsch RMSD of backb atoms in res. *[1..155],for model 8 is: 3.833
> Kabsch RMSD of backb atoms in res. *[1..155],for model 9 is: 4.658
> Kabsch RMSD of backb atoms in res. *[1..155],for model 10 is: 7.549
> Kabsch RMSD of backb atoms in res. *[1..155],for model 11 is: 3.357
> Kabsch RMSD of backb atoms in res. *[1..155],for model 12 is: 4.186
> Kabsch RMSD of backb atoms in res. *[1..155],for model 13 is: 3.462
> Kabsch RMSD of backb atoms in res. *[1..155],for model 14 is: 3.168 (*)
> Kabsch RMSD of backb atoms in res. *[1..155],for model 15 is: 4.220
> Kabsch RMSD of backb atoms in res. *[1..155],for model 16 is: 3.652
> Kabsch RMSD of backb atoms in res. *[1..155],for model 17 is: 5.219
> Kabsch RMSD of backb atoms in res. *[1..155],for model 18 is: 3.259
> Kabsch RMSD of backb atoms in res. *[1..155],for model 19 is: 4.727
> Kabsch RMSD of backb atoms in res. *[1..155],for model 20 is: 4.300
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..155], is: 4.451
> Range of RMSD values to reference struct. is 3.168 to 7.549
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 1 is: 5.025
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 2 is: 8.093
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 3 is: 3.928
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 4 is: 3.830
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 5 is: 6.525
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 6 is: 5.366
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 7 is: 5.172
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 8 is: 4.450
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 9 is: 5.291
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 10 is: 7.937
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 11 is: 3.902
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 12 is: 4.786
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 13 is: 4.078
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 14 is: 3.707 (*)
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 15 is: 4.731
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 16 is: 4.275
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 17 is: 6.006
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 18 is: 3.769
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 19 is: 5.451
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 20 is: 5.073
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..155], is: 5.070
> Range of RMSD values to reference struct. is 3.707 to 8.093
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 4.5 0.9 0.9
All heavy atoms 5.1 1.3 1.3
Contact Map (constraints list and 3D Coordinates)
JPEG image of Contact Map for Constraints
JPEG image of Contact Map for Coordinates
Output from PROCHECK
Ramachandran Plot for all models
Text summary of Ramachandran Plot
+----------<<< P R O C H E C K S U M M A R Y >>>----------+
| |
| SGR209C_R3Cons_em_bcr3_020.rin 0.0 2280 residues |
| |
+| Ramachandran plot: 96.4% core 3.6% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 17 labelled residues (out of2280) |
+| Chi1-chi2 plots: 8 labelled residues (out of1400) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
14 -0.92
15 -0.74
16 -1.05
17 -0.30
18 -1.05
20 -0.39
21 0.02
22 0.82
23 0.98
24 1.03
25 1.19
26 1.35
27 0.98
28 0.95
29 0.99
30 1.13
31 0.96
32 0.88
33 1.01
34 0.69
35 -0.43
36 -0.67
37 -0.79
38 -1.46
48 0.90
49 0.70
50 0.97
51 1.09
52 0.98
53 0.88
54 1.10
55 1.01
56 0.39
57 0.97
58 0.25
59 0.70
60 0.62
61 -0.44
62 -0.46
63 0.36
64 0.88
65 0.69
66 1.16
67 0.99
68 0.78
69 1.02
70 1.01
71 0.04
72 -0.40
73 0.20
74 0.53
75 0.95
76 0.93
77 0.97
78 0.58
83 -0.81
84 -0.84
85 -2.71
86 1.04
87 0.94
88 0.29
89 0.85
90 0.98
91 1.03
92 1.05
93 0.99
94 1.19
95 0.77
96 -0.77
97 -0.88
98 -1.01
99 0.64
102 -0.65
103 -0.84
104 -0.24
105 0.83
106 0.89
107 0.96
108 0.88
109 1.17
110 0.54
111 0.28
112 1.20
113 1.13
114 0.84
115 0.32
116 0.42
117 -1.31
118 -1.17
119 -0.62
120 0.78
121 0.45
122 0.82
123 1.03
124 0.96
125 1.22
126 0.93
127 0.56
128 0.54
129 0.20
130 -1.14
131 0.99
132 0.96
133 1.10
134 0.67
135 0.90
136 0.51
137 -1.61
138 -0.92
139 -0.44
140 -0.98
141 -0.12
142 -0.45
143 -1.42
#Reported_Model_Average 0.337
#Overall_Average_Reported 0.337
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
14 -0.47
15 -0.74
16 -0.47
17 0.03
18 -1.05
20 0.03
21 0.12
22 0.82
23 0.94
24 1.05
25 1.15
26 1.20
27 0.98
28 0.83
29 0.89
30 1.13
31 0.96
32 0.88
33 0.31
34 0.73
35 0.03
36 -0.35
37 0.02
38 -0.20
48 0.69
49 0.60
50 0.90
51 0.88
52 0.95
53 0.78
54 0.91
55 0.83
56 -0.32
57 0.85
58 0.74
59 0.70
60 0.83
61 -0.17
62 -0.07
63 0.11
64 0.68
65 0.63
66 0.58
67 0.80
68 0.74
69 0.99
70 0.91
71 0.04
72 0.25
73 0.27
74 0.53
75 0.57
76 0.49
77 0.89
78 0.82
83 -0.81
84 -0.06
85 -1.35
86 1.01
87 0.71
88 0.61
89 0.85
90 0.74
91 0.92
92 0.89
93 0.99
94 0.01
95 0.84
96 -0.27
97 -0.06
98 -0.19
99 0.64
102 -0.65
103 -0.24
104 -0.06
105 0.94
106 1.04
107 0.83
108 0.79
109 1.14
110 0.64
111 0.20
112 1.01
113 0.73
114 0.87
115 -0.37
116 0.30
117 -0.42
118 -1.17
119 -0.62
120 0.64
121 0.45
122 0.82
123 0.78
124 0.83
125 1.05
126 0.93
127 0.73
128 0.63
129 0.64
130 -0.53
131 0.50
132 0.97
133 0.36
134 0.67
135 0.95
136 -0.07
137 -0.55
138 -0.92
139 -0.01
140 0.02
141 0.31
142 0.17
143 -1.42
#Reported_Model_Average 0.400
#Overall_Average_Reported 0.400
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
14 1.25 -0.43 -0.43 -0.43 1.25 -0.43 -0.43 -0.43 -0.43 -1.04 1.25 -0.43 -0.43 1.25 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43
15 0.49 -0.25 -0.25 0.49 -0.25 -0.25 -0.25 -0.25 0.49 0.49 0.49 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 0.49 -0.25 -0.25
16 0.91 0.91 1.00 0.91 0.91 0.91 0.91 0.91 0.91 0.91 1.00 0.91 1.00 0.91 0.91 0.91 0.91 0.91 0.91 0.91
17 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
18 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
20 0.77 0.29 0.77 0.29 0.77 0.77 0.77 0.29 0.77 0.29 0.77 0.29 0.77 0.29 0.29 0.29 0.29 0.29 0.77 0.29
21 0.17 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34
22 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
23 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37
24 -0.58 0.62 -0.43 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 0.62 0.62 0.62 0.62
25 0.56 0.56 0.56 0.56 0.56 0.56 0.66 0.56 0.56 0.56 0.56 0.56 0.56 -0.94 -0.94 0.56 0.56 0.56 0.56 0.56
26 -0.58 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.58 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58
27 0.44 -0.02 0.76 0.44 0.44 0.44 0.76 -0.02 0.44 0.76 0.44 -0.02 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44
28 0.74 0.41 0.74 0.74 0.41 0.41 0.41 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74
29 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 0.55 0.55 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
30 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66
31 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
32 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
33 0.27 0.86 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.86 0.86 0.86 0.27 0.86 0.27 0.27 0.27 0.27 0.27 0.86
34 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
35 0.62 0.16 0.62 0.62 -0.32 0.16 0.16 0.16 -0.32 0.62 0.62 -0.32 0.16 0.16 -0.32 0.16 -0.32 0.62 0.62 -0.32
36 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
37 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 0.87 1.28 1.28
38 0.28 0.28 0.28 0.28 0.28 -1.13 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 -0.46 0.28
48 0.16 -0.38 0.16 0.16 -0.38 0.16 0.16 0.16 0.16 0.16 0.16 0.16 -0.38 -0.38 0.16 0.16 0.16 0.16 -0.38 0.16
49 1.11 0.55 1.11 0.55 0.55 1.11 1.11 0.55 -0.02 0.55 1.11 0.55 1.11 1.11 -0.02 0.55 1.11 1.11 1.11 1.11
50 -0.38 0.16 0.16 0.16 -0.38 0.16 0.16 0.16 0.16 -0.38 -0.38 -0.38 0.16 0.16 0.16 -0.38 0.16 -0.38 0.16 0.16
51 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -1.70 -0.55 -1.70 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55
52 0.71 0.71 0.71 0.71 1.30 1.30 1.30 1.30 0.71 0.71 0.71 0.71 0.71 1.30 1.30 0.71 1.30 0.71 1.30 1.30
53 -0.43 0.62 -0.43 0.62 0.09 -0.43 -0.43 0.09 -0.43 0.09 0.62 0.09 0.62 -0.43 0.62 -0.43 0.62 0.62 0.09 0.62
54 -0.38 -0.38 0.16 0.16 -0.38 -0.38 0.16 0.16 -0.38 -0.38 0.16 -0.38 0.16 0.16 0.16 -0.38 0.16 -0.38 0.16 0.16
55 0.16 0.16 0.62 -0.32 0.16 -0.32 0.16 0.62 -0.32 -0.32 -0.32 -0.32 -0.32 -0.32 -0.32 0.16 -0.32 0.16 0.62 -0.32
56 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
57 1.10 1.10 1.10 1.10 1.10 1.10 0.56 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 0.56 1.10 0.56 0.56
58 -0.02 -0.02 0.32 0.32 -0.02 -0.02 0.32 0.32 -0.02 0.32 0.32 -0.02 -0.02 -0.02 -0.02 0.32 0.32 -0.02 0.32 0.32
59 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
60 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
61 -0.54 -0.54 -0.54 -0.54 -0.54 -0.54 0.81 -0.54 -0.54 -0.54 -0.54 -0.54 -0.54 -0.54 -0.54 0.81 -0.54 0.81 0.81 -0.54
62 0.59 0.59 0.34 0.59 0.17 0.17 0.17 0.59 0.34 0.59 0.17 0.17 0.17 0.59 0.59 0.59 0.17 0.34 0.59 0.17
63 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
64 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.66 0.56 0.56 0.56 -0.94 0.56 0.56 0.56
65 0.62 0.09 0.62 0.62 -0.43 0.62 0.62 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.09
66 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
67 0.74 0.74 0.74 0.74 0.74 0.30 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
68 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
69 0.56 -0.51 1.10 0.56 0.56 0.56 1.10 1.10 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 1.10 1.10 0.56
70 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
71 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
72 0.08 0.08 0.47 0.08 0.08 0.08 0.08 0.47 0.08 0.08 0.08 0.47 0.08 0.08 0.08 0.08 0.08 0.08 0.47 0.08
73 0.59 0.59 0.17 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
74 0.05 0.05 -0.25 -0.25 -0.25 0.05 0.05 0.05 -0.25 0.05 0.05 0.05 0.05 -0.25 0.05 0.05 0.05 0.05 -0.25 0.05
75 0.71 -0.30 1.30 1.30 1.30 0.71 1.30 1.30 0.71 0.71 -0.30 1.30 0.71 0.16 1.30 1.30 1.30 0.16 1.30 1.30
76 0.27 0.27 0.27 0.27 0.27 0.86 0.27 0.27 0.27 0.27 0.27 0.27 0.86 0.27 0.27 0.27 0.27 0.86 0.86 0.86
77 0.56 1.10 -0.11 0.56 1.10 -0.51 -0.51 0.56 -0.51 -0.51 1.10 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 -0.51
78 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66
83 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 0.25 0.44
84 -0.84 -0.84 0.71 0.71 0.71 0.71 0.71 -0.84 -0.84 -0.84 0.71 -0.84 0.71 -0.84 -1.29 -1.29 0.71 -0.84 -0.84 -0.84
85 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -1.63
86 -0.02 -0.58 -0.58 -0.02 -0.58 -0.02 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.02 -0.58 -0.58 -0.58 -0.02 -0.58
87 0.16 0.47 0.47 0.47 0.47 0.47 0.47 0.16 0.47 0.16 0.16 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.16
88 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 0.56 0.56 0.56 0.56 0.56 0.56
89 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
90 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
91 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 0.09
92 -0.30 0.16 0.16 0.71 0.71 0.16 1.30 -0.30 -0.30 0.71 0.71 0.71 0.71 0.16 0.71 0.71 0.71 -0.30 0.16 0.71
93 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
94 1.28 1.28 1.28 1.28 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 1.28 1.28
95 0.56 1.10 0.56 0.56 1.10 1.10 1.10 1.10 1.10 0.56 1.10 1.10 0.56 0.56 1.10 1.10 0.56 1.10 1.10 0.56
96 0.61 0.82 0.82 0.61 0.82 0.82 -0.34 0.82 -0.34 0.82 0.82 0.82 -0.34 0.82 -0.34 0.82 0.82 0.82 0.82 0.82
97 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 0.55 1.11 1.11 1.11 1.11 1.11 1.11 0.55 1.11 1.11
98 1.30 1.30 0.71 1.30 0.71 -0.30 1.30 0.71 0.71 0.71 1.30 1.30 0.71 1.30 0.71 1.30 0.71 0.16 0.71 0.71
99 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
102 0.64 0.59 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
103 0.34 0.34 0.17 0.17 0.34 0.34 0.34 0.34 0.17 0.34 0.59 0.34 0.17 0.17 0.34 0.17 0.34 0.17 0.34 0.34
104 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.17 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.17 0.17 0.17
105 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20
106 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
107 0.09 0.09 0.09 0.09 0.62 0.09 0.09 0.09 0.09 -0.43 0.09 0.09 -0.58 0.09 0.62 0.09 0.09 0.09 0.09 -0.43
108 -0.62 0.30 0.30 -0.62 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30
109 0.29 0.29 0.29 0.29 0.29 0.29 0.62 0.62 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.62 0.29 0.29 0.29 0.29
110 0.66 0.07 0.07 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.07 0.66 0.07 0.66 0.66 0.66 0.07 0.66 0.66
111 0.86 0.86 0.86 0.27 0.86 0.86 0.86 0.86 0.27 0.86 0.27 0.27 0.86 0.86 0.27 0.27 0.27 0.86 0.27 0.27
112 -0.22 -0.22 -0.85 -0.22 -1.35 -0.22 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -0.22 -0.22 -1.35 -1.35 -1.35 -1.35 -0.85 -1.35
113 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
114 -0.06 0.55 -0.06 -0.06 0.55 -0.06 0.55 0.55 -0.06 0.55 -0.06 -0.06 -0.06 -0.06 0.55 0.55 -0.06 -0.06 -0.06 -0.06
115 0.74 0.74 0.41 0.41 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.41 0.41 0.74 0.74 0.74 0.74 0.41 0.41 0.41
116 0.47 -0.38 0.47 -0.38 -0.38 -0.38 -0.38 0.47 -0.38 -0.38 0.47 0.47 0.47 0.47 -0.38 0.47 0.47 -0.38 0.47 0.47
117 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
118 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
119 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
120 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
121 -0.41 -0.25 -0.25 -0.25 -0.41 -0.25 -0.25 -0.41 -0.41 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.41
122 0.44 -0.02 0.44 0.44 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.44 -0.02 0.44 0.44 -0.02 -0.02 0.44 -0.02 -0.02 0.44
123 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
124 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
125 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
126 0.76 0.76 0.44 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.44 0.76 0.76 0.44 0.76 0.76 0.44 0.76 0.76 0.76
127 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
128 0.41 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.74
129 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
130 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17
131 0.29 0.62 0.29 0.62 0.16 0.62 0.62 0.29 0.62 0.29 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.29 0.62 0.29
132 0.62 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 0.09 0.60 0.62 0.62 0.62 0.60
133 0.86 0.86 0.27 0.86 0.86 0.86 0.50 0.27 0.86 0.86 0.86 0.50 0.86 0.50 0.86 0.50 0.50 0.86 0.86 0.86
134 -0.02 0.76 -0.02 -0.02 0.76 0.76 -0.02 0.76 -0.02 0.76 0.76 -0.02 -0.02 0.76 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02
135 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.29 0.44 0.29 -0.28 0.29 0.29
136 0.50 -0.55 0.86 0.50 -0.55 -0.55 0.50 0.86 0.86 -0.55 0.50 -0.55 0.50 0.50 0.50 0.50 -0.55 0.50 0.50 0.86
137 0.87 -0.22 -0.22 0.87 1.28 -0.22 0.87 -0.22 0.87 -0.22 -0.22 -0.22 1.28 0.87 0.87 1.28 1.28 -0.22 -0.22 0.87
138 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
139 0.28 -1.13 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
140 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 -0.59 0.28 0.28 0.28 0.28
141 0.08 0.55 0.55 0.55 0.08 0.08 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
142 1.00 1.00 0.66 1.00 0.66 0.66 1.00 1.00 0.66 0.66 1.00 1.00 0.66 1.00 1.00 1.00 1.00 0.66 0.66 1.00
143 -0.07 0.64 0.59 0.64 -0.07 0.64 0.64 -0.07 0.64 0.64 0.64 0.59 -0.07 0.59 -0.07 -0.11 -0.07 -0.07 0.59 -0.07
#Reported_Model_Average 0.460 0.446 0.481 0.500 0.474 0.443 0.515 0.476 0.427 0.430 0.522 0.431 0.494 0.488 0.434 0.483 0.477 0.447 0.502 0.451
#Overall_Average_Reported 0.469
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
14 1.25 -0.43 -0.43 -0.43 1.25 -0.43 -0.43 -0.43 -0.43 -1.04 1.25 -0.43 -0.43 1.25 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43
15 0.49 -0.25 -0.25 0.49 -0.25 -0.25 -0.25 -0.25 0.49 0.49 0.49 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 0.49 -0.25 -0.25
16 0.91 0.91 1.00 0.91 0.91 0.91 0.91 0.91 0.91 0.91 1.00 0.91 1.00 0.91 0.91 0.91 0.91 0.91 0.91 0.91
17 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
18 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
20 0.77 0.29 0.77 0.29 0.77 0.77 0.77 0.29 0.77 0.29 0.77 0.29 0.77 0.29 0.29 0.29 0.29 0.29 0.77 0.29
21 0.17 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34
22 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
23 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37
24 -0.58 0.62 -0.43 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 0.62 0.62 0.62 0.62
25 0.56 0.56 0.56 0.56 0.56 0.56 0.66 0.56 0.56 0.56 0.56 0.56 0.56 -0.94 -0.94 0.56 0.56 0.56 0.56 0.56
26 -0.58 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.58 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58
27 0.44 -0.02 0.76 0.44 0.44 0.44 0.76 -0.02 0.44 0.76 0.44 -0.02 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44
28 0.74 0.41 0.74 0.74 0.41 0.41 0.41 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74
29 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 0.55 0.55 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
30 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66
31 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
32 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
33 0.27 0.86 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.86 0.86 0.86 0.27 0.86 0.27 0.27 0.27 0.27 0.27 0.86
34 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
35 0.62 0.16 0.62 0.62 -0.32 0.16 0.16 0.16 -0.32 0.62 0.62 -0.32 0.16 0.16 -0.32 0.16 -0.32 0.62 0.62 -0.32
36 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
37 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 0.87 1.28 1.28
38 0.28 0.28 0.28 0.28 0.28 -1.13 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 -0.46 0.28
48 0.16 -0.38 0.16 0.16 -0.38 0.16 0.16 0.16 0.16 0.16 0.16 0.16 -0.38 -0.38 0.16 0.16 0.16 0.16 -0.38 0.16
49 1.11 0.55 1.11 0.55 0.55 1.11 1.11 0.55 -0.02 0.55 1.11 0.55 1.11 1.11 -0.02 0.55 1.11 1.11 1.11 1.11
50 -0.38 0.16 0.16 0.16 -0.38 0.16 0.16 0.16 0.16 -0.38 -0.38 -0.38 0.16 0.16 0.16 -0.38 0.16 -0.38 0.16 0.16
51 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -1.70 -0.55 -1.70 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55
52 0.71 0.71 0.71 0.71 1.30 1.30 1.30 1.30 0.71 0.71 0.71 0.71 0.71 1.30 1.30 0.71 1.30 0.71 1.30 1.30
53 -0.43 0.62 -0.43 0.62 0.09 -0.43 -0.43 0.09 -0.43 0.09 0.62 0.09 0.62 -0.43 0.62 -0.43 0.62 0.62 0.09 0.62
54 -0.38 -0.38 0.16 0.16 -0.38 -0.38 0.16 0.16 -0.38 -0.38 0.16 -0.38 0.16 0.16 0.16 -0.38 0.16 -0.38 0.16 0.16
55 0.16 0.16 0.62 -0.32 0.16 -0.32 0.16 0.62 -0.32 -0.32 -0.32 -0.32 -0.32 -0.32 -0.32 0.16 -0.32 0.16 0.62 -0.32
56 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
57 1.10 1.10 1.10 1.10 1.10 1.10 0.56 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 0.56 1.10 0.56 0.56
58 -0.02 -0.02 0.32 0.32 -0.02 -0.02 0.32 0.32 -0.02 0.32 0.32 -0.02 -0.02 -0.02 -0.02 0.32 0.32 -0.02 0.32 0.32
59 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
60 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
61 -0.54 -0.54 -0.54 -0.54 -0.54 -0.54 0.81 -0.54 -0.54 -0.54 -0.54 -0.54 -0.54 -0.54 -0.54 0.81 -0.54 0.81 0.81 -0.54
62 0.59 0.59 0.34 0.59 0.17 0.17 0.17 0.59 0.34 0.59 0.17 0.17 0.17 0.59 0.59 0.59 0.17 0.34 0.59 0.17
63 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
64 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.66 0.56 0.56 0.56 -0.94 0.56 0.56 0.56
65 0.62 0.09 0.62 0.62 -0.43 0.62 0.62 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.09
66 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
67 0.74 0.74 0.74 0.74 0.74 0.30 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
68 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
69 0.56 -0.51 1.10 0.56 0.56 0.56 1.10 1.10 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 1.10 1.10 0.56
70 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
71 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
72 0.08 0.08 0.47 0.08 0.08 0.08 0.08 0.47 0.08 0.08 0.08 0.47 0.08 0.08 0.08 0.08 0.08 0.08 0.47 0.08
73 0.59 0.59 0.17 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
74 0.05 0.05 -0.25 -0.25 -0.25 0.05 0.05 0.05 -0.25 0.05 0.05 0.05 0.05 -0.25 0.05 0.05 0.05 0.05 -0.25 0.05
75 0.71 -0.30 1.30 1.30 1.30 0.71 1.30 1.30 0.71 0.71 -0.30 1.30 0.71 0.16 1.30 1.30 1.30 0.16 1.30 1.30
76 0.27 0.27 0.27 0.27 0.27 0.86 0.27 0.27 0.27 0.27 0.27 0.27 0.86 0.27 0.27 0.27 0.27 0.86 0.86 0.86
77 0.56 1.10 -0.11 0.56 1.10 -0.51 -0.51 0.56 -0.51 -0.51 1.10 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 -0.51
78 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66
83 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 0.25 0.44
84 -0.84 -0.84 0.71 0.71 0.71 0.71 0.71 -0.84 -0.84 -0.84 0.71 -0.84 0.71 -0.84 -1.29 -1.29 0.71 -0.84 -0.84 -0.84
85 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -1.63
86 -0.02 -0.58 -0.58 -0.02 -0.58 -0.02 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.02 -0.58 -0.58 -0.58 -0.02 -0.58
87 0.16 0.47 0.47 0.47 0.47 0.47 0.47 0.16 0.47 0.16 0.16 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.16
88 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 0.56 0.56 0.56 0.56 0.56 0.56
89 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
90 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
91 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 0.09
92 -0.30 0.16 0.16 0.71 0.71 0.16 1.30 -0.30 -0.30 0.71 0.71 0.71 0.71 0.16 0.71 0.71 0.71 -0.30 0.16 0.71
93 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
94 1.28 1.28 1.28 1.28 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 1.28 1.28
95 0.56 1.10 0.56 0.56 1.10 1.10 1.10 1.10 1.10 0.56 1.10 1.10 0.56 0.56 1.10 1.10 0.56 1.10 1.10 0.56
96 0.61 0.82 0.82 0.61 0.82 0.82 -0.34 0.82 -0.34 0.82 0.82 0.82 -0.34 0.82 -0.34 0.82 0.82 0.82 0.82 0.82
97 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 0.55 1.11 1.11 1.11 1.11 1.11 1.11 0.55 1.11 1.11
98 1.30 1.30 0.71 1.30 0.71 -0.30 1.30 0.71 0.71 0.71 1.30 1.30 0.71 1.30 0.71 1.30 0.71 0.16 0.71 0.71
99 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
102 0.64 0.59 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
103 0.34 0.34 0.17 0.17 0.34 0.34 0.34 0.34 0.17 0.34 0.59 0.34 0.17 0.17 0.34 0.17 0.34 0.17 0.34 0.34
104 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.17 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.17 0.17 0.17
105 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20
106 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
107 0.09 0.09 0.09 0.09 0.62 0.09 0.09 0.09 0.09 -0.43 0.09 0.09 -0.58 0.09 0.62 0.09 0.09 0.09 0.09 -0.43
108 -0.62 0.30 0.30 -0.62 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30
109 0.29 0.29 0.29 0.29 0.29 0.29 0.62 0.62 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.62 0.29 0.29 0.29 0.29
110 0.66 0.07 0.07 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.07 0.66 0.07 0.66 0.66 0.66 0.07 0.66 0.66
111 0.86 0.86 0.86 0.27 0.86 0.86 0.86 0.86 0.27 0.86 0.27 0.27 0.86 0.86 0.27 0.27 0.27 0.86 0.27 0.27
112 -0.22 -0.22 -0.85 -0.22 -1.35 -0.22 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -0.22 -0.22 -1.35 -1.35 -1.35 -1.35 -0.85 -1.35
113 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
114 -0.06 0.55 -0.06 -0.06 0.55 -0.06 0.55 0.55 -0.06 0.55 -0.06 -0.06 -0.06 -0.06 0.55 0.55 -0.06 -0.06 -0.06 -0.06
115 0.74 0.74 0.41 0.41 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.41 0.41 0.74 0.74 0.74 0.74 0.41 0.41 0.41
116 0.47 -0.38 0.47 -0.38 -0.38 -0.38 -0.38 0.47 -0.38 -0.38 0.47 0.47 0.47 0.47 -0.38 0.47 0.47 -0.38 0.47 0.47
117 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
118 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
119 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
120 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
121 -0.41 -0.25 -0.25 -0.25 -0.41 -0.25 -0.25 -0.41 -0.41 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.41
122 0.44 -0.02 0.44 0.44 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.44 -0.02 0.44 0.44 -0.02 -0.02 0.44 -0.02 -0.02 0.44
123 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
124 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
125 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
126 0.76 0.76 0.44 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.44 0.76 0.76 0.44 0.76 0.76 0.44 0.76 0.76 0.76
127 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
128 0.41 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.74
129 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
130 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17
131 0.29 0.62 0.29 0.62 0.16 0.62 0.62 0.29 0.62 0.29 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.29 0.62 0.29
132 0.62 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 0.09 0.60 0.62 0.62 0.62 0.60
133 0.86 0.86 0.27 0.86 0.86 0.86 0.50 0.27 0.86 0.86 0.86 0.50 0.86 0.50 0.86 0.50 0.50 0.86 0.86 0.86
134 -0.02 0.76 -0.02 -0.02 0.76 0.76 -0.02 0.76 -0.02 0.76 0.76 -0.02 -0.02 0.76 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02
135 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.29 0.44 0.29 -0.28 0.29 0.29
136 0.50 -0.55 0.86 0.50 -0.55 -0.55 0.50 0.86 0.86 -0.55 0.50 -0.55 0.50 0.50 0.50 0.50 -0.55 0.50 0.50 0.86
137 0.87 -0.22 -0.22 0.87 1.28 -0.22 0.87 -0.22 0.87 -0.22 -0.22 -0.22 1.28 0.87 0.87 1.28 1.28 -0.22 -0.22 0.87
138 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
139 0.28 -1.13 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
140 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 -0.59 0.28 0.28 0.28 0.28
141 0.08 0.55 0.55 0.55 0.08 0.08 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
142 1.00 1.00 0.66 1.00 0.66 0.66 1.00 1.00 0.66 0.66 1.00 1.00 0.66 1.00 1.00 1.00 1.00 0.66 0.66 1.00
143 -0.07 0.64 0.59 0.64 -0.07 0.64 0.64 -0.07 0.64 0.64 0.64 0.59 -0.07 0.59 -0.07 -0.11 -0.07 -0.07 0.59 -0.07
#Reported_Model_Average 0.460 0.446 0.481 0.500 0.474 0.443 0.515 0.476 0.427 0.430 0.522 0.431 0.494 0.488 0.434 0.483 0.477 0.447 0.502 0.451
#Overall_Average_Reported 0.469
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
14.000 1 0 1 1 2 0 0 2 0 0 0 1 1 0 0 1 0 0 0 0
15.000 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
16.000 2 1 0 0 2 0 0 1 0 0 0 1 0 1 0 0 1 0 0 0
17.000 0 0 1 0 0 1 0 0 0 1 2 0 1 0 0 0 0 0 0 0
18.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
20.000 0 0 7 0 0 1 0 0 0 1 6 0 1 0 0 0 0 0 0 0
21.000 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
25.000 1 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 3 0 0 1 1 0 0 2 0 0 0 1 1 0 0 1 0 2 1 0
29.000 0 0 0 0 0 0 1 1 0 0 0 1 0 2 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 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1
32.000 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 1 0 1 0 0
33.000 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0
34.000 1 0 1 0 1 0 0 0 1 0 0 1 1 0 1 1 0 0 1 1
35.000 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2
36.000 1 0 1 0 0 2 0 0 0 1 0 0 0 0 0 1 0 1 0 0
37.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
38.000 1 0 1 0 1 0 1 0 1 0 0 1 1 0 1 1 0 0 1 1
48.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
49.000 1 0 0 1 0 1 0 0 1 0 0 1 0 0 0 0 0 1 0 1
50.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0
51.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
52.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
53.000 0 0 0 0 0 0 0 1 0 1 0 1 0 2 0 0 0 1 0 0
54.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
55.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
56.000 1 1 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 0 0
57.000 2 0 0 0 0 0 1 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0
62.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
63.000 1 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 1 0 1 0
64.000 1 0 0 1 0 0 0 0 0 4 0 0 0 1 0 3 0 0 0 0
65.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0
66.000 0 0 0 0 0 1 2 0 0 0 0 0 0 1 0 1 0 1 1 0
67.000 4 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
68.000 1 0 1 1 0 1 1 1 1 2 0 1 1 1 0 1 2 1 0 1
69.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
70.000 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 0 1 0 0
71.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
72.000 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
73.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
74.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
75.000 0 0 0 0 0 0 0 0 0 2 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 0
77.000 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 1 0 0
78.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
83.000 2 1 2 2 1 1 0 1 1 1 1 1 0 2 2 1 1 2 1 0
84.000 2 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
85.000 0 1 1 0 1 0 0 0 1 2 1 0 1 0 0 0 0 1 0 0
86.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 1 0 0 0 1 1 1 0 1 0 0 0 0 1 0 0
89.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
90.000 2 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0
91.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
92.000 0 0 0 0 0 1 0 0 0 6 0 0 0 0 0 0 0 0 0 0
93.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
94.000 1 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 1
95.000 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0
96.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
97.000 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0
98.000 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 3
99.000 0 2 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 1 0
102.000 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0
103.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
104.000 3 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0
105.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
106.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
107.000 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
108.000 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 1 0 0
109.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
110.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
111.000 1 1 0 0 2 1 0 2 1 1 5 1 1 0 0 1 1 2 0 1
112.000 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0
113.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
114.000 1 1 0 0 1 1 0 1 0 1 1 1 1 0 0 1 1 2 0 1
115.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0
116.000 0 0 0 0 0 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 0 0 0 0 0 0 0
118.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
119.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
120.000 5 2 2 2 1 2 1 1 2 3 1 2 1 1 2 1 1 1 2 1
121.000 2 1 2 2 1 2 1 1 2 1 1 2 1 1 2 1 1 1 2 1
122.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
123.000 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
124.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
125.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 0 0 1 0 1 0 0 0 0 0 1 0 1 1
128.000 1 0 1 1 0 1 1 1 1 1 0 1 1 1 0 3 0 1 0 1
129.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
130.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
131.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
132.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0
133.000 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 1
134.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
135.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
136.000 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 1 0 0
137.000 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1
138.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
139.000 0 1 0 1 0 0 0 0 0 1 0 0 0 1 0 1 2 0 0 1
140.000 1 0 0 0 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 2 0 1 0 0 0 0 0 0 0 0
142.000 2 1 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 2 1 0
143.000 0 0 0 0 5 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0
#Reported_Model_Average 0.579 0.167 0.211 0.175 0.219 0.219 0.114 0.175 0.158 0.430 0.175 0.219 0.140 0.140 0.096 0.246 0.211 0.298 0.149 0.193
#Overall_Average_Reported 0.216
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 6 ASN CB :A 5 PHE O : -0.639: 0
: 2503:A 6 ASN 1HB :A 5 PHE O : -0.585: 0
: 2503:A 3 SER C :A 5 PHE H : -0.420: 0
: 2503:A 142 VAL CG2 :A 28 VAL 3HG1 : -0.590: 0
: 2503:A 142 VAL 1HG2 :A 28 VAL 3HG1 : -0.532: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.444: 0
: 2503:A 120 LEU 2HD2 :A 81 PHE 1HB : -0.576: 0
: 2503:A 90 LEU O :A 94 PHE 1HB : -0.560: 0
: 2503:A 120 LEU 3HD2 :A 77 ARG HA : -0.516: 0
: 2503:A 120 LEU N :A 121 PRO 1HD : -0.445: 0
: 2503:A 120 LEU O :A 123 LEU 2HB : -0.435: 0
: 2503:A 90 LEU 2HD1 :A 123 LEU 1HD2 : -0.418: 0
: 2503:A 120 LEU 2HB :A 121 PRO CD : -0.410: 0
: 2503:A 1 PRO 1HD :A 4 TYR HA : -0.567: 0
: 2503:A 4 TYR O :A 4 TYR CD1 : -0.429: 0
: 2503:A 1 PRO 1H :A 4 TYR 2HB : -0.428: 0
: 2503:A 47 GLN 1HB :A 46 SER O : -0.520: 0
: 2503:A 16 MET SD :A 56 VAL O : -0.517: 0
: 2503:A 16 MET SD :A 57 ARG HA : -0.513: 0
: 2503:A 25 LYS 2HB :A 57 ARG 2HG : -0.433: 0
: 2503:A 104 SER 1HB :A 107 GLU 1HB : -0.512: 0
: 2503:A 107 GLU CB :A 104 SER 1HB : -0.477: 0
: 2503:A 104 SER O :A 107 GLU 2HB : -0.449: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.493: 0
: 2503:A 36 ILE 1HD1 :A 67 VAL 2HG2 : -0.485: 0
: 2503:A 67 VAL HB :A 64 LYS O : -0.433: 0
: 2503:A 63 MET O :A 67 VAL 3HG2 : -0.405: 0
: 2503:A 97 ILE HA :A 67 VAL 1HG1 : -0.404: 0
: 2503:A 39 ARG 1HG :A 37 PHE 2HB : -0.458: 0
: 2503:A 49 ILE CD1 :A 45 TYR 2HB : -0.450: 0
: 2503:A 42 THR HB :A 45 TYR CE1 : -0.428: 0
: 2503:A 98 LEU CD2 :A 133 TYR 2HB : -0.447: 0
: 2503:A 88 ARG 1HB :A 84 PHE 2HB : -0.445: 0
: 2503:A 80 PHE O :A 84 PHE 1HB : -0.414: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.444: 0
: 2503:A 112 PHE O :A 115 VAL 2HG1 : -0.444: 0
: 2503:A 112 PHE CB :A 108 VAL O : -0.414: 0
: 2503:A 140 GLU O :A 15 ALA HA : -0.439: 0
: 2503:A 82 GLU 1HB :A 83 PRO 2HD : -0.438: 0
: 2503:A 83 PRO 1HD :A 82 GLU N : -0.400: 0
: 2503:A 124 VAL 1HG1 :A 72 LYS 2HG : -0.423: 0
: 2503:A 55 GLN 1HG :A 51 TYR O : -0.423: 0
: 2503:A 144 TYR CE2 :A 14 TYR 1HB : -0.423: 0
: 2503:A 13 LYS 2HB :A 144 TYR OH : -0.410: 0
: 2503:A 7 ALA O :A 9 ALA N : -0.422: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.406: 0
: 2503:A 135 ASP O :A 2 GLN HA : -0.401: 0
#sum2 ::18.78 clashscore : 18.78 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278840 potential dots:17430.0 A^2:47 bumps:47 bumps B<40:726.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 9 ALA O :A 10 LYS CB : -0.731: 0
: 2503:A 10 LYS 1HB :A 9 ALA O : -0.536: 0
: 2503:A 6 ASN 1HB :A 5 PHE O : -0.685: 0
: 2503:A 6 ASN CB :A 5 PHE O : -0.575: 0
: 2503:A 4 TYR C :A 3 SER O : -0.463: 0
: 2503:A 5 PHE N :A 3 SER O : -0.441: 0
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.526: 0
: 2503:A 120 LEU 2HD2 :A 81 PHE 1HB : -0.402: 0
: 2503:A 16 MET SD :A 56 VAL 2HG2 : -0.515: 0
: 2503:A 146 ARG 1HB :A 137 PHE 2HB : -0.508: 0
: 2503:A 13 LYS 2HB :A 144 TYR CE1 : -0.480: 0
: 2503:A 146 ARG 1HG :A 144 TYR H : -0.461: 0
: 2503:A 144 TYR CD1 :A 142 VAL O : -0.422: 0
: 2503:A 83 PRO 1HD :A 82 GLU N : -0.471: 0
: 2503:A 138 GLY 1HA :A 148 LEU 1HB : -0.462: 0
: 2503:A 139 GLU 2HB :A 148 LEU 2HB : -0.424: 0
: 2503:A 134 ALA HA :A 148 LEU HA : -0.413: 0
: 2503:A 145 LEU CD2 :A 99 GLY 2HA : -0.457: 0
: 2503:A 99 GLY 1HA :A 95 ARG O : -0.447: 0
: 2503:A 100 ARG O :A 94 PHE 2HB : -0.439: 0
: 2503:A 2 GLN 2HB :A 1 PRO O : -0.410: 0
: 2503:A 2 GLN H :A 1 PRO 1H : -0.404: 0
: 2503:A 88 ARG H :A 85 ILE 2HG1 : -0.405: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.402: 0
#sum2 ::9.59 clashscore : 9.59 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278875 potential dots:17430.0 A^2:24 bumps:24 bumps B<40:935.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 13 LYS 1HG :A 12 GLN 2HG : -0.665: 0
: 2503:A 12 GLN O :A 13 LYS 1HB : -0.515: 0
: 2503:A 13 LYS O :A 14 TYR C : -0.461: 0
: 2503:A 20 LEU 2HD2 :A 20 LEU C : -0.663: 0
: 2503:A 17 LYS O :A 20 LEU 2HD1 : -0.456: 0
: 2503:A 20 LEU C :A 20 LEU CD2 : -0.437: 0
: 2503:A 20 LEU H :A 20 LEU CD1 : -0.427: 0
: 2503:A 3 SER O :A 4 TYR C : -0.609: 0
: 2503:A 100 ARG 2HG :A 3 SER HA : -0.487: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.490: 0
: 2503:A 88 ARG H :A 85 ILE 2HG1 : -0.469: 0
: 2503:A 121 PRO 2HD :A 120 LEU 2HB : -0.469: 0
: 2503:A 120 LEU N :A 121 PRO CD : -0.425: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.451: 0
: 2503:A 83 PRO 1HG :A 84 PHE CD1 : -0.410: 0
: 2503:A 10 LYS 1HB :A 9 ALA O : -0.442: 0
: 2503:A 32 ALA O :A 36 ILE 1HG1 : -0.424: 0
: 2503:A 38 GLU HA :A 34 ARG O : -0.416: 0
#sum2 ::7.19 clashscore : 7.19 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278745 potential dots:17420.0 A^2:18 bumps:18 bumps B<40:943.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 3 SER O :A 4 TYR CB : -0.649: 0
: 2503:A 3 SER O :A 4 TYR 2HB : -0.644: 0
: 2503:A 11 ARG 1HB :A 10 LYS O : -0.588: 0
: 2503:A 11 ARG CB :A 10 LYS O : -0.508: 0
: 2503:A 10 LYS H :A 8 ALA C : -0.434: 0
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.568: 0
: 2503:A 120 LEU N :A 121 PRO CD : -0.426: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.506: 0
: 2503:A 98 LEU 1HD1 :A 127 LEU 2HD2 : -0.498: 0
: 2503:A 83 PRO 1HD :A 82 GLU N : -0.483: 0
: 2503:A 83 PRO 1HD :A 82 GLU H : -0.423: 0
: 2503:A 45 TYR CD2 :A 41 ILE 2HG1 : -0.477: 0
: 2503:A 45 TYR CE2 :A 41 ILE 2HG1 : -0.476: 0
: 2503:A 45 TYR 1HB :A 49 ILE CG1 : -0.462: 0
: 2503:A 42 THR O :A 44 ALA N : -0.431: 0
: 2503:A 6 ASN C :A 5 PHE O : -0.429: 0
: 2503:A 136 TYR 2HB :A 7 ALA 3HB : -0.425: 0
: 2503:A 93 ALA O :A 97 ILE HB : -0.420: 0
: 2503:A 28 VAL 2HG2 :A 14 TYR 2HB : -0.418: 0
: 2503:A 64 LYS 2HD :A 139 GLU 1HG : -0.416: 0
: 2503:A 80 PHE 1HB :A 79 GLN O : -0.410: 0
: 2503:A 35 GLN 1HG :A 31 ALA O : -0.404: 0
#sum2 ::8.79 clashscore : 8.79 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279096 potential dots:17440.0 A^2:22 bumps:22 bumps B<40:865.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 148 LEU CD2 :A 148 LEU O : -0.788: 0
: 2503:A 148 LEU 3HD2 :A 148 LEU O : -0.755: 0
: 2503:A 148 LEU C :A 148 LEU 3HD2 : -0.473: 0
: 2503:A 143 PRO 1HB :A 10 LYS H : -0.525: 0
: 2503:A 143 PRO 2HD :A 8 ALA 3HB : -0.519: 0
: 2503:A 8 ALA 1HB :A 67 VAL 1HG2 : -0.485: 0
: 2503:A 11 ARG 1HG :A 31 ALA 1HB : -0.481: 0
: 2503:A 35 GLN 2HG :A 11 ARG HA : -0.436: 0
: 2503:A 11 ARG N :A 143 PRO O : -0.423: 0
: 2503:A 143 PRO CD :A 8 ALA 3HB : -0.423: 0
: 2503:A 143 PRO 2HD :A 142 VAL HA : -0.410: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.503: 0
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.478: 0
: 2503:A 83 PRO 1HD :A 82 GLU N : -0.466: 0
: 2503:A 16 MET 2HG :A 16 MET O : -0.460: 0
: 2503:A 12 GLN HA :A 144 TYR 2HB : -0.427: 0
: 2503:A 28 VAL 2HG2 :A 14 TYR 2HB : -0.414: 0
: 2503:A 12 GLN O :A 14 TYR N : -0.403: 0
: 2503:A 80 PHE 1HB :A 79 GLN O : -0.425: 0
: 2503:A 111 TYR 2HB :A 90 LEU 1HD1 : -0.419: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.410: 0
: 2503:A 39 ARG O :A 40 ASP 1HB : -0.413: 0
: 2503:A 85 ILE 2HG1 :A 88 ARG H : -0.410: 0
#sum2 ::9.19 clashscore : 9.19 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279231 potential dots:17450.0 A^2:23 bumps:23 bumps B<40:977.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 8 ALA N :A 6 ASN O : -0.629: 0
: 2503:A 6 ASN N :A 4 TYR O : -0.444: 0
: 2503:A 41 ILE 2HD1 :A 45 TYR 1HB : -0.529: 0
: 2503:A 121 PRO 2HD :A 120 LEU 2HB : -0.521: 0
: 2503:A 43 LYS 2HG :A 42 THR 2HG2 : -0.521: 0
: 2503:A 120 LEU N :A 121 PRO CD : -0.405: 0
: 2503:A 80 PHE CZ :A 92 LEU 2HB : -0.515: 0
: 2503:A 63 MET HA :A 66 PHE 2HB : -0.489: 0
: 2503:A 144 TYR CD1 :A 144 TYR N : -0.481: 0
: 2503:A 36 ILE 1HD1 :A 67 VAL 2HG2 : -0.444: 0
: 2503:A 32 ALA O :A 36 ILE 1HG1 : -0.442: 0
: 2503:A 17 LYS O :A 20 LEU HG : -0.431: 0
: 2503:A 46 SER HA :A 49 ILE HB : -0.431: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.431: 0
: 2503:A 127 LEU 2HD2 :A 98 LEU 1HD1 : -0.429: 0
: 2503:A 143 PRO 2HD :A 142 VAL HA : -0.422: 0
: 2503:A 83 PRO 1HD :A 82 GLU N : -0.421: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.421: 0
: 2503:A 137 PHE 1HB :A 133 TYR O : -0.412: 0
#sum2 ::7.59 clashscore : 7.59 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278813 potential dots:17430.0 A^2:19 bumps:19 bumps B<40:754.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 121 PRO 2HD :A 120 LEU 2HB : -0.593: 0
: 2503:A 12 GLN O :A 13 LYS 1HB : -0.570: 0
: 2503:A 13 LYS 1HG :A 12 GLN 2HG : -0.534: 0
: 2503:A 12 GLN O :A 13 LYS CB : -0.468: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.507: 0
: 2503:A 63 MET HA :A 66 PHE 2HB : -0.488: 0
: 2503:A 66 PHE CZ :A 70 LEU 1HD1 : -0.407: 0
: 2503:A 7 ALA HA :A 136 TYR HA : -0.480: 0
: 2503:A 29 ILE 1HD1 :A 57 ARG HA : -0.427: 0
: 2503:A 33 TYR O :A 38 GLU N : -0.404: 0
#sum2 ::4.00 clashscore : 4.00 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278972 potential dots:17440.0 A^2:10 bumps:10 bumps B<40:964.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 4 TYR 2HB :A 1 PRO 2HB : -0.671: 0
: 2503:A 1 PRO CB :A 4 TYR 2HB : -0.431: 0
: 2503:A 7 ALA C :A 6 ASN O : -0.599: 0
: 2503:A 7 ALA HA :A 136 TYR HA : -0.454: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.499: 0
: 2503:A 90 LEU 1HD1 :A 111 TYR 2HB : -0.462: 0
: 2503:A 121 PRO 1HD :A 120 LEU N : -0.462: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.427: 0
: 2503:A 47 GLN 1HB :A 46 SER O : -0.453: 0
: 2503:A 83 PRO 1HD :A 82 GLU N : -0.451: 0
: 2503:A 79 GLN O :A 80 PHE 1HB : -0.446: 0
: 2503:A 53 GLU 2HG :A 29 ILE 3HD1 : -0.439: 0
: 2503:A 41 ILE 1HG1 :A 33 TYR 2HB : -0.419: 0
: 2503:A 28 VAL 1HG1 :A 16 MET 1HB : -0.419: 0
: 2503:A 13 LYS O :A 14 TYR C : -0.414: 0
: 2503:A 28 VAL 2HG2 :A 14 TYR 2HB : -0.411: 0
: 2503:A 77 ARG 2HG :A 73 SER O : -0.409: 0
: 2503:A 43 LYS O :A 44 ALA 2HB : -0.403: 0
#sum2 ::7.19 clashscore : 7.19 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278993 potential dots:17440.0 A^2:18 bumps:18 bumps B<40:895 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 121 PRO 2HD :A 120 LEU 2HB : -0.561: 0
: 2503:A 120 LEU N :A 121 PRO CD : -0.421: 0
: 2503:A 11 ARG 1HB :A 10 LYS O : -0.522: 0
: 2503:A 45 TYR O :A 47 GLN N : -0.511: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.475: 0
: 2503:A 38 GLU HA :A 34 ARG O : -0.474: 0
: 2503:A 41 ILE 2HD1 :A 49 ILE 3HD1 : -0.446: 0
: 2503:A 97 ILE 2HD1 :A 127 LEU 2HD1 : -0.441: 0
: 2503:A 83 PRO 1HD :A 82 GLU N : -0.430: 0
: 2503:A 95 ARG O :A 99 GLY 1HA : -0.423: 0
: 2503:A 43 LYS O :A 44 ALA 2HB : -0.420: 0
: 2503:A 111 TYR CB :A 90 LEU 1HD1 : -0.414: 0
: 2503:A 88 ARG H :A 85 ILE 2HG1 : -0.412: 0
: 2503:A 79 GLN O :A 80 PHE 1HB : -0.400: 0
#sum2 ::5.59 clashscore : 5.59 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278713 potential dots:17420.0 A^2:14 bumps:14 bumps B<40:926.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 92 LEU 3HD2 :A 92 LEU C : -0.599: 0
: 2503:A 92 LEU O :A 92 LEU 3HD2 : -0.530: 0
: 2503:A 92 LEU C :A 92 LEU CD2 : -0.423: 0
: 2503:A 120 LEU 2HD2 :A 81 PHE 1HB : -0.572: 0
: 2503:A 120 LEU 1HB :A 81 PHE CD1 : -0.466: 0
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.465: 0
: 2503:A 81 PHE 2HB :A 77 ARG O : -0.408: 0
: 2503:A 53 GLU 1HG :A 50 SER O : -0.559: 0
: 2503:A 141 THR 1HG2 :A 13 LYS 1HD : -0.534: 0
: 2503:A 141 THR HA :A 15 ALA CB : -0.442: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.531: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.527: 0
: 2503:A 88 ARG H :A 85 ILE 3HG2 : -0.527: 0
: 2503:A 85 ILE HB :A 84 PHE O : -0.519: 0
: 2503:A 68 ARG O :A 72 LYS 1HG : -0.461: 0
: 2503:A 64 LYS 2HD :A 139 GLU 1HG : -0.521: 0
: 2503:A 64 LYS 1HE :A 64 LYS 2HB : -0.424: 0
: 2503:A 129 ASP OD1 :A 64 LYS 2HE : -0.400: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.516: 0
: 2503:A 152 HIS ND1 :A 149 GLU O : -0.501: 0
: 2503:A 90 LEU O :A 94 PHE 1HB : -0.482: 0
: 2503:A 94 PHE 2HB :A 102 PRO 2HD : -0.455: 0
: 2503:A 108 VAL 2HG2 :A 102 PRO 2HB : -0.429: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.402: 0
: 2503:A 12 GLN 1HB :A 11 ARG O : -0.479: 0
: 2503:A 132 GLU O :A 136 TYR CG : -0.466: 0
: 2503:A 45 TYR HD1 :A 46 SER O : -0.447: 0
: 2503:A 41 ILE 1HD1 :A 45 TYR CE2 : -0.443: 0
: 2503:A 41 ILE CD1 :A 45 TYR CE2 : -0.403: 0
: 2503:A 17 LYS H :A 20 LEU CD1 : -0.436: 0
: 2503:A 151 HIS 1HB :A 150 HIS O : -0.408: 0
: 2503:A 36 ILE 1HG1 :A 32 ALA O : -0.403: 0
: 2503:A 75 LEU HA :A 75 LEU 3HD1 : -0.402: 0
#sum2 ::13.18 clashscore : 13.18 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278962 potential dots:17440.0 A^2:33 bumps:33 bumps B<40:700 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 111 TYR N :A 111 TYR HD1 : -0.569: 0
: 2503:A 111 TYR N :A 111 TYR CD1 : -0.501: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.420: 0
: 2503:A 20 LEU 2HB :A 17 LYS 1HB : -0.536: 0
: 2503:A 20 LEU O :A 20 LEU 3HD1 : -0.435: 0
: 2503:A 20 LEU H :A 20 LEU CD1 : -0.411: 0
: 2503:A 20 LEU 2HD1 :A 17 LYS O : -0.400: 0
: 2503:A 1 PRO 2HG :A 127 LEU HA : -0.514: 0
: 2503:A 88 ARG H :A 85 ILE 2HG1 : -0.475: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.460: 0
: 2503:A 120 LEU N :A 121 PRO CD : -0.449: 0
#sum2 ::4.39 clashscore : 4.39 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279025 potential dots:17440.0 A^2:11 bumps:11 bumps B<40:913.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 13 LYS CB :A 12 GLN O : -0.696: 0
: 2503:A 12 GLN O :A 13 LYS 1HB : -0.658: 0
: 2503:A 13 LYS CG :A 12 GLN O : -0.486: 0
: 2503:A 13 LYS 2HG :A 12 GLN O : -0.433: 0
: 2503:A 1 PRO HA :A 13 LYS 2HD : -0.428: 0
: 2503:A 2 GLN 2HB :A 13 LYS 1HD : -0.401: 0
: 2503:A 40 ASP O :A 41 ILE CG1 : -0.573: 0
: 2503:A 40 ASP O :A 41 ILE 1HG1 : -0.466: 0
: 2503:A 40 ASP C :A 41 ILE 1HG1 : -0.447: 0
: 2503:A 41 ILE CG1 :A 40 ASP C : -0.433: 0
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.553: 0
: 2503:A 120 LEU N :A 121 PRO CD : -0.405: 0
: 2503:A 9 ALA O :A 11 ARG 2HG : -0.527: 0
: 2503:A 10 LYS C :A 9 ALA O : -0.432: 0
: 2503:A 28 VAL 2HG2 :A 14 TYR 2HB : -0.522: 0
: 2503:A 49 ILE HB :A 46 SER HA : -0.514: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.487: 0
: 2503:A 8 ALA 3HB :A 7 ALA O : -0.480: 0
: 2503:A 83 PRO 1HD :A 82 GLU N : -0.436: 0
: 2503:A 35 GLN 1HG :A 31 ALA O : -0.435: 0
: 2503:A 16 MET 1HG :A 56 VAL 2HG2 : -0.430: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.430: 0
: 2503:A 53 GLU O :A 56 VAL 2HG1 : -0.411: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.423: 0
: 2503:A 29 ILE 2HG1 :A 57 ARG 2HD : -0.419: 0
: 2503:A 99 GLY CA :A 145 LEU HA : -0.407: 0
: 2503:A 142 VAL O :A 141 THR 2HG2 : -0.403: 0
: 2503:A 79 GLN O :A 81 PHE N : -0.401: 0
#sum2 ::11.19 clashscore : 11.19 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278834 potential dots:17430.0 A^2:28 bumps:28 bumps B<40:858.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 5 PHE O :A 6 ASN CB : -0.607: 0
: 2503:A 6 ASN 2HB :A 5 PHE O : -0.452: 0
: 2503:A 28 VAL 2HG2 :A 14 TYR 2HB : -0.510: 0
: 2503:A 100 ARG 2HB :A 1 PRO 2HG : -0.509: 0
: 2503:A 3 SER C :A 2 GLN O : -0.424: 0
: 2503:A 1 PRO O :A 2 GLN C : -0.411: 0
: 2503:A 140 GLU HA :A 63 MET 2HB : -0.477: 0
: 2503:A 38 GLU HA :A 34 ARG O : -0.473: 0
: 2503:A 121 PRO 1HD :A 120 LEU N : -0.454: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.438: 0
: 2503:A 17 LYS O :A 20 LEU HG : -0.438: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.429: 0
: 2503:A 45 TYR 1HB :A 42 THR O : -0.407: 0
: 2503:A 45 TYR O :A 46 SER C : -0.405: 0
: 2503:A 88 ARG H :A 85 ILE 2HG1 : -0.404: 0
#sum2 ::5.99 clashscore : 5.99 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279047 potential dots:17440.0 A^2:15 bumps:15 bumps B<40:1019 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 45 TYR O :A 46 SER CB : -0.585: 0
: 2503:A 45 TYR O :A 46 SER 1HB : -0.480: 0
: 2503:A 44 ALA O :A 45 TYR 1HB : -0.419: 0
: 2503:A 121 PRO 2HD :A 120 LEU 2HB : -0.574: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.503: 0
: 2503:A 147 GLY O :A 148 LEU 2HB : -0.456: 0
: 2503:A 70 LEU 1HD1 :A 66 PHE CZ : -0.451: 0
: 2503:A 83 PRO 1HD :A 82 GLU N : -0.442: 0
: 2503:A 82 GLU N :A 83 PRO CD : -0.418: 0
: 2503:A 53 GLU 2HG :A 29 ILE 1HG2 : -0.412: 0
: 2503:A 53 GLU 2HG :A 29 ILE 3HD1 : -0.410: 0
: 2503:A 16 MET SD :A 56 VAL 2HG2 : -0.406: 0
: 2503:A 64 LYS 1HD :A 139 GLU 1HG : -0.403: 0
#sum2 ::5.19 clashscore : 5.19 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278849 potential dots:17430.0 A^2:13 bumps:13 bumps B<40:976.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 121 PRO 2HD :A 120 LEU 2HB : -0.503: 0
: 2503:A 120 LEU N :A 121 PRO CD : -0.408: 0
: 2503:A 79 GLN O :A 80 PHE 1HB : -0.463: 0
: 2503:A 146 ARG 2HG :A 144 TYR 2HB : -0.456: 0
: 2503:A 61 ILE HB :A 65 GLU 2HB : -0.429: 0
: 2503:A 38 GLU HA :A 34 ARG O : -0.418: 0
: 2503:A 132 GLU 2HG :A 5 PHE HA : -0.416: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.412: 0
: 2503:A 83 PRO 1HD :A 82 GLU N : -0.411: 0
#sum2 ::3.60 clashscore : 3.60 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279097 potential dots:17440.0 A^2:9 bumps:9 bumps B<40:909.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 3 SER 1HB :A 2 GLN O : -0.743: 0
: 2503:A 3 SER CB :A 2 GLN O : -0.669: 0
: 2503:A 2 GLN 1HG :A 2 GLN O : -0.603: 0
: 2503:A 4 TYR O :A 5 PHE O : -0.526: 0
: 2503:A 4 TYR CE2 :A 2 GLN 2HB : -0.499: 0
: 2503:A 2 GLN 1HB :A 1 PRO O : -0.482: 0
: 2503:A 2 GLN O :A 2 GLN CG : -0.440: 0
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.641: 0
: 2503:A 139 GLU HA :A 64 LYS 1HB : -0.624: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.576: 0
: 2503:A 128 VAL CG1 :A 64 LYS 2HD : -0.437: 0
: 2503:A 64 LYS CD :A 128 VAL CG1 : -0.409: 0
: 2503:A 47 GLN 1HB :A 46 SER O : -0.588: 0
: 2503:A 46 SER O :A 47 GLN CB : -0.440: 0
: 2503:A 155 HIS O :A 155 HIS CG : -0.477: 0
: 2503:A 155 HIS CD2 :A 155 HIS O : -0.431: 0
: 2503:A 93 ALA O :A 97 ILE HB : -0.452: 0
: 2503:A 95 ARG O :A 145 LEU 1HD2 : -0.441: 0
: 2503:A 99 GLY 1HA :A 95 ARG O : -0.412: 0
: 2503:A 83 PRO 1HD :A 82 GLU N : -0.438: 0
: 2503:A 28 VAL 2HG2 :A 14 TYR 2HB : -0.436: 0
: 2503:A 66 PHE CE2 :A 70 LEU 1HD1 : -0.436: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.427: 0
: 2503:A 115 VAL 2HG1 :A 112 PHE HA : -0.420: 0
: 2503:A 7 ALA O :A 9 ALA N : -0.418: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.408: 0
: 2503:A 36 ILE 1HG1 :A 32 ALA O : -0.401: 0
#sum2 ::10.79 clashscore : 10.79 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278852 potential dots:17430.0 A^2:27 bumps:27 bumps B<40:801.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 4 TYR CD2 :A 4 TYR O : -0.593: 0
: 2503:A 4 TYR O :A 5 PHE 1HB : -0.583: 0
: 2503:A 4 TYR O :A 5 PHE CB : -0.420: 0
: 2503:A 148 LEU 2HB :A 137 PHE 2HB : -0.563: 0
: 2503:A 47 GLN 1HB :A 46 SER O : -0.517: 0
: 2503:A 68 ARG 1HG :A 65 GLU HA : -0.497: 0
: 2503:A 68 ARG HE :A 65 GLU 2HG : -0.433: 0
: 2503:A 98 LEU 1HD1 :A 127 LEU 2HD2 : -0.493: 0
: 2503:A 7 ALA N :A 6 ASN OD1 : -0.482: 0
: 2503:A 6 ASN 1HB :A 1 PRO 2HB : -0.420: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.479: 0
: 2503:A 63 MET CG :A 16 MET 2HB : -0.476: 0
: 2503:A 120 LEU N :A 121 PRO 1HD : -0.474: 0
: 2503:A 153 HIS 1HB :A 152 HIS O : -0.460: 0
: 2503:A 147 GLY N :A 144 TYR O : -0.452: 0
: 2503:A 77 ARG O :A 81 PHE 2HB : -0.435: 0
: 2503:A 150 HIS HA :A 139 GLU HA : -0.424: 0
: 2503:A 151 HIS 2HB :A 139 GLU 2HB : -0.421: 0
: 2503:A 150 HIS NE2 :A 143 PRO 2HD : -0.406: 0
: 2503:A 115 VAL HB :A 123 LEU 2HD2 : -0.413: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.409: 0
: 2503:A 104 SER 2HB :A 107 GLU CB : -0.403: 0
: 2503:A 69 ARG 2HD :A 52 LEU 1HD2 : -0.400: 0
#sum2 ::9.19 clashscore : 9.19 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279141 potential dots:17450.0 A^2:23 bumps:23 bumps B<40:781.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.640: 0
: 2503:A 9 ALA 3HB :A 8 ALA O : -0.626: 0
: 2503:A 8 ALA O :A 9 ALA CB : -0.579: 0
: 2503:A 8 ALA H :A 152 HIS 2HB : -0.464: 0
: 2503:A 3 SER CB :A 2 GLN O : -0.582: 0
: 2503:A 3 SER 2HB :A 2 GLN O : -0.564: 0
: 2503:A 3 SER HA :A 136 TYR OH : -0.527: 0
: 2503:A 4 TYR C :A 3 SER O : -0.515: 0
: 2503:A 2 GLN 1HB :A 1 PRO O : -0.475: 0
: 2503:A 3 SER OG :A 4 TYR N : -0.458: 0
: 2503:A 1 PRO O :A 2 GLN CB : -0.436: 0
: 2503:A 39 ARG O :A 40 ASP 1HB : -0.564: 0
: 2503:A 83 PRO 1HD :A 82 GLU N : -0.548: 0
: 2503:A 82 GLU N :A 83 PRO CD : -0.437: 0
: 2503:A 151 HIS HA :A 153 HIS CD2 : -0.539: 0
: 2503:A 154 HIS 2HB :A 153 HIS O : -0.436: 0
: 2503:A 153 HIS CG :A 12 GLN 1HG : -0.423: 0
: 2503:A 153 HIS HA :A 10 LYS O : -0.418: 0
: 2503:A 46 SER 1HB :A 45 TYR O : -0.522: 0
: 2503:A 49 ILE HB :A 45 TYR O : -0.430: 0
: 2503:A 80 PHE 1HB :A 79 GLN O : -0.487: 0
: 2503:A 76 TYR O :A 79 GLN O : -0.417: 0
: 2503:A 133 TYR 2HB :A 130 SER O : -0.485: 0
: 2503:A 133 TYR O :A 137 PHE 2HB : -0.433: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.479: 0
: 2503:A 144 TYR CE1 :A 146 ARG 1HB : -0.479: 0
: 2503:A 114 ILE HB :A 111 TYR O : -0.441: 0
: 2503:A 112 PHE O :A 115 VAL 2HG1 : -0.474: 0
: 2503:A 108 VAL O :A 112 PHE 1HB : -0.404: 0
: 2503:A 77 ARG O :A 81 PHE 2HB : -0.447: 0
: 2503:A 53 GLU 2HB :A 50 SER O : -0.423: 0
: 2503:A 36 ILE 1HG1 :A 32 ALA O : -0.418: 0
: 2503:A 85 ILE 2HG1 :A 88 ARG H : -0.417: 0
: 2503:A 142 VAL CG2 :A 28 VAL 3HG1 : -0.416: 0
: 2503:A 142 VAL 1HG2 :A 28 VAL 3HG1 : -0.407: 0
: 2503:A 70 LEU 1HD1 :A 66 PHE CZ : -0.406: 0
: 2503:A 128 VAL 1HG1 :A 68 ARG 1HD : -0.406: 0
#sum2 ::14.78 clashscore : 14.78 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279103 potential dots:17440.0 A^2:37 bumps:37 bumps B<40:771.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 146 ARG 1HD :A 143 PRO 2HB : -0.549: 0
: 2503:A 146 ARG 1HG :A 99 GLY 1HA : -0.417: 0
: 2503:A 145 LEU 3HD2 :A 145 LEU C : -0.508: 0
: 2503:A 145 LEU C :A 145 LEU CD2 : -0.446: 0
: 2503:A 121 PRO 2HD :A 120 LEU 2HB : -0.478: 0
: 2503:A 120 LEU N :A 121 PRO CD : -0.424: 0
: 2503:A 63 MET HA :A 66 PHE 2HB : -0.471: 0
: 2503:A 2 GLN H :A 1 PRO 1HB : -0.468: 0
: 2503:A 13 LYS N :A 13 LYS 1HD : -0.450: 0
: 2503:A 13 LYS CD :A 13 LYS H : -0.402: 0
: 2503:A 28 VAL 3HG1 :A 142 VAL CG2 : -0.438: 0
: 2503:A 47 GLN 1HB :A 46 SER O : -0.434: 0
: 2503:A 4 TYR 1HB :A 3 SER O : -0.432: 0
: 2503:A 38 GLU HA :A 34 ARG O : -0.426: 0
: 2503:A 83 PRO 2HD :A 82 GLU HA : -0.426: 0
: 2503:A 31 ALA O :A 35 GLN 1HG : -0.426: 0
: 2503:A 127 LEU 2HD2 :A 98 LEU 1HD1 : -0.408: 0
: 2503:A 45 TYR HD1 :A 45 TYR HA : -0.405: 0
: 2503:A 8 ALA O :A 9 ALA 3HB : -0.403: 0
#sum2 ::7.59 clashscore : 7.59 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278875 potential dots:17430.0 A^2:19 bumps:19 bumps B<40:915.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 1 PRO 2H :A 149 GLU 1HG : -0.808: 0
: 2503:A 43 LYS 2HG :A 43 LYS O : -0.610: 0
: 2503:A 43 LYS O :A 43 LYS CG : -0.597: 0
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.564: 0
: 2503:A 2 GLN 2HB :A 100 ARG 1HB : -0.496: 0
: 2503:A 3 SER 2HB :A 2 GLN O : -0.478: 0
: 2503:A 2 GLN 1HG :A 98 LEU 3HD1 : -0.433: 0
: 2503:A 98 LEU 1HD1 :A 127 LEU 2HD2 : -0.425: 0
: 2503:A 94 PHE CD2 :A 98 LEU 2HD1 : -0.414: 0
: 2503:A 39 ARG 2HG :A 41 ILE H : -0.487: 0
: 2503:A 37 PHE O :A 39 ARG 1HG : -0.434: 0
: 2503:A 144 TYR 2HB :A 35 GLN 2HB : -0.463: 0
: 2503:A 35 GLN 1HG :A 31 ALA O : -0.422: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.461: 0
: 2503:A 10 LYS O :A 11 ARG 2HB : -0.459: 0
: 2503:A 11 ARG CB :A 10 LYS O : -0.459: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.455: 0
: 2503:A 81 PHE 1HB :A 80 PHE O : -0.442: 0
: 2503:A 148 LEU C :A 148 LEU 3HD2 : -0.430: 0
: 2503:A 133 TYR O :A 137 PHE 2HB : -0.424: 0
: 2503:A 46 SER 1HB :A 49 ILE 1HG1 : -0.413: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.408: 0
: 2503:A 62 SER 2HB :A 139 GLU 2HB : -0.405: 0
#sum2 ::9.19 clashscore : 9.19 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279148 potential dots:17450.0 A^2:23 bumps:23 bumps B<40:864.8 score
Output from PDB validation software
Summary from PDB validation
May. 10, 20:24:09 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
Chain Atom Res Seq Chain Atom Res Seq Mol_ID Distance
-------------------------------------------------------------------------
A O THR 42 - A H ALA 44 4 Dist = 1.54
A O ILE 85 - A H ALA 89 16 Dist = 1.60
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.009 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
------------------------------------------------------------------------
0.081 PRO A 1 1 CD - N 1.554 1.473
0.057 PRO A 1 2 CD - N 1.530 1.473
0.066 PRO A 83 3 CD - N 1.539 1.473
0.062 PRO A 1 6 CD - N 1.535 1.473
0.061 PRO A 74 10 CD - N 1.534 1.473
0.073 PRO A 121 10 CD - N 1.546 1.473
0.065 PRO A 143 11 CD - N 1.538 1.473
0.092 PRO A 1 15 CD - N 1.565 1.473
0.058 PRO A 1 16 CD - N 1.531 1.473
0.063 PRO A 83 17 CD - N 1.536 1.473
0.087 PRO A 1 18 CD - N 1.560 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
--------------------------------------------------------------------------------
-4.3 HIS A 154 4 N - CA - C 106.9 111.2
-4.3 GLN A 12 5 N - CA - C 106.9 111.2
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A GLN 2 1HE2
1 A GLN 2 2HE2
1 A ASN 6 1HD2
1 A ASN 6 2HD2
1 A GLN 12 1HE2
1 A GLN 12 2HE2
1 A ASN 26 1HD2
1 A ASN 26 2HD2
1 A GLN 35 1HE2
1 A GLN 35 2HE2
1 A GLN 47 1HE2
1 A GLN 47 2HE2
1 A GLN 55 1HE2
1 A GLN 55 2HE2
1 A ASN 58 1HD2
1 A ASN 58 2HD2
1 A GLN 79 1HE2
1 A GLN 79 2HE2
1 A ASN 86 1HD2
1 A ASN 86 2HD2
1 A GLN 109 1HE2
1 A GLN 109 2HE2
1 A GLN 131 1HE2
1 A GLN 131 2HE2
2 A GLN 2 1HE2
2 A GLN 2 2HE2
2 A ASN 6 1HD2
2 A ASN 6 2HD2
2 A GLN 12 1HE2
2 A GLN 12 2HE2
2 A ASN 26 1HD2
2 A ASN 26 2HD2
2 A GLN 35 1HE2
2 A GLN 35 2HE2
2 A GLN 47 1HE2
2 A GLN 47 2HE2
2 A GLN 55 1HE2
2 A GLN 55 2HE2
2 A ASN 58 1HD2
2 A ASN 58 2HD2
2 A GLN 79 1HE2
2 A GLN 79 2HE2
2 A ASN 86 1HD2
2 A ASN 86 2HD2
2 A GLN 109 1HE2
2 A GLN 109 2HE2
2 A GLN 131 1HE2
2 A GLN 131 2HE2
3 A GLN 2 1HE2
3 A GLN 2 2HE2
3 A ASN 6 1HD2
3 A ASN 6 2HD2
3 A GLN 12 1HE2
3 A GLN 12 2HE2
3 A ASN 26 1HD2
3 A ASN 26 2HD2
3 A GLN 35 1HE2
3 A GLN 35 2HE2
3 A GLN 47 1HE2
3 A GLN 47 2HE2
3 A GLN 55 1HE2
3 A GLN 55 2HE2
3 A ASN 58 1HD2
3 A ASN 58 2HD2
3 A GLN 79 1HE2
3 A GLN 79 2HE2
3 A ASN 86 1HD2
3 A ASN 86 2HD2
3 A GLN 109 1HE2
3 A GLN 109 2HE2
3 A GLN 131 1HE2
3 A GLN 131 2HE2
4 A GLN 2 1HE2
4 A GLN 2 2HE2
4 A ASN 6 1HD2
4 A ASN 6 2HD2
4 A GLN 12 1HE2
4 A GLN 12 2HE2
4 A ASN 26 1HD2
4 A ASN 26 2HD2
4 A GLN 35 1HE2
4 A GLN 35 2HE2
4 A GLN 47 1HE2
4 A GLN 47 2HE2
4 A GLN 55 1HE2
4 A GLN 55 2HE2
4 A ASN 58 1HD2
4 A ASN 58 2HD2
4 A GLN 79 1HE2
4 A GLN 79 2HE2
4 A ASN 86 1HD2
4 A ASN 86 2HD2
4 A GLN 109 1HE2
4 A GLN 109 2HE2
4 A GLN 131 1HE2
4 A GLN 131 2HE2
5 A GLN 2 1HE2
5 A GLN 2 2HE2
5 A ASN 6 1HD2
5 A ASN 6 2HD2
5 A GLN 12 1HE2
5 A GLN 12 2HE2
5 A ASN 26 1HD2
5 A ASN 26 2HD2
5 A GLN 35 1HE2
5 A GLN 35 2HE2
5 A GLN 47 1HE2
5 A GLN 47 2HE2
5 A GLN 55 1HE2
5 A GLN 55 2HE2
5 A ASN 58 1HD2
5 A ASN 58 2HD2
5 A GLN 79 1HE2
5 A GLN 79 2HE2
5 A ASN 86 1HD2
5 A ASN 86 2HD2
5 A GLN 109 1HE2
5 A GLN 109 2HE2
5 A GLN 131 1HE2
5 A GLN 131 2HE2
6 A GLN 2 1HE2
6 A GLN 2 2HE2
6 A ASN 6 1HD2
6 A ASN 6 2HD2
6 A GLN 12 1HE2
6 A GLN 12 2HE2
6 A ASN 26 1HD2
6 A ASN 26 2HD2
6 A GLN 35 1HE2
6 A GLN 35 2HE2
6 A GLN 47 1HE2
6 A GLN 47 2HE2
6 A GLN 55 1HE2
6 A GLN 55 2HE2
6 A ASN 58 1HD2
6 A ASN 58 2HD2
6 A GLN 79 1HE2
6 A GLN 79 2HE2
6 A ASN 86 1HD2
6 A ASN 86 2HD2
6 A GLN 109 1HE2
6 A GLN 109 2HE2
6 A GLN 131 1HE2
6 A GLN 131 2HE2
7 A GLN 2 1HE2
7 A GLN 2 2HE2
7 A ASN 6 1HD2
7 A ASN 6 2HD2
7 A GLN 12 1HE2
7 A GLN 12 2HE2
7 A ASN 26 1HD2
7 A ASN 26 2HD2
7 A GLN 35 1HE2
7 A GLN 35 2HE2
7 A GLN 47 1HE2
7 A GLN 47 2HE2
7 A GLN 55 1HE2
7 A GLN 55 2HE2
7 A ASN 58 1HD2
7 A ASN 58 2HD2
7 A GLN 79 1HE2
7 A GLN 79 2HE2
7 A ASN 86 1HD2
7 A ASN 86 2HD2
7 A GLN 109 1HE2
7 A GLN 109 2HE2
7 A GLN 131 1HE2
7 A GLN 131 2HE2
8 A GLN 2 1HE2
8 A GLN 2 2HE2
8 A ASN 6 1HD2
8 A ASN 6 2HD2
8 A GLN 12 1HE2
8 A GLN 12 2HE2
8 A ASN 26 1HD2
8 A ASN 26 2HD2
8 A GLN 35 1HE2
8 A GLN 35 2HE2
8 A GLN 47 1HE2
8 A GLN 47 2HE2
8 A GLN 55 1HE2
8 A GLN 55 2HE2
8 A ASN 58 1HD2
8 A ASN 58 2HD2
8 A GLN 79 1HE2
8 A GLN 79 2HE2
8 A ASN 86 1HD2
8 A ASN 86 2HD2
8 A GLN 109 1HE2
8 A GLN 109 2HE2
8 A GLN 131 1HE2
8 A GLN 131 2HE2
9 A GLN 2 1HE2
9 A GLN 2 2HE2
9 A ASN 6 1HD2
9 A ASN 6 2HD2
9 A GLN 12 1HE2
9 A GLN 12 2HE2
9 A ASN 26 1HD2
9 A ASN 26 2HD2
9 A GLN 35 1HE2
9 A GLN 35 2HE2
9 A GLN 47 1HE2
9 A GLN 47 2HE2
9 A GLN 55 1HE2
9 A GLN 55 2HE2
9 A ASN 58 1HD2
9 A ASN 58 2HD2
9 A GLN 79 1HE2
9 A GLN 79 2HE2
9 A ASN 86 1HD2
9 A ASN 86 2HD2
9 A GLN 109 1HE2
9 A GLN 109 2HE2
9 A GLN 131 1HE2
9 A GLN 131 2HE2
10 A GLN 2 1HE2
10 A GLN 2 2HE2
10 A ASN 6 1HD2
10 A ASN 6 2HD2
10 A GLN 12 1HE2
10 A GLN 12 2HE2
10 A ASN 26 1HD2
10 A ASN 26 2HD2
10 A GLN 35 1HE2
10 A GLN 35 2HE2
10 A GLN 47 1HE2
10 A GLN 47 2HE2
10 A GLN 55 1HE2
10 A GLN 55 2HE2
10 A ASN 58 1HD2
10 A ASN 58 2HD2
10 A GLN 79 1HE2
10 A GLN 79 2HE2
10 A ASN 86 1HD2
10 A ASN 86 2HD2
10 A GLN 109 1HE2
10 A GLN 109 2HE2
10 A GLN 131 1HE2
10 A GLN 131 2HE2
11 A GLN 2 1HE2
11 A GLN 2 2HE2
11 A ASN 6 1HD2
11 A ASN 6 2HD2
11 A GLN 12 1HE2
11 A GLN 12 2HE2
11 A ASN 26 1HD2
11 A ASN 26 2HD2
11 A GLN 35 1HE2
11 A GLN 35 2HE2
11 A GLN 47 1HE2
11 A GLN 47 2HE2
11 A GLN 55 1HE2
11 A GLN 55 2HE2
11 A ASN 58 1HD2
11 A ASN 58 2HD2
11 A GLN 79 1HE2
11 A GLN 79 2HE2
11 A ASN 86 1HD2
11 A ASN 86 2HD2
11 A GLN 109 1HE2
11 A GLN 109 2HE2
11 A GLN 131 1HE2
11 A GLN 131 2HE2
12 A GLN 2 1HE2
12 A GLN 2 2HE2
12 A ASN 6 1HD2
12 A ASN 6 2HD2
12 A GLN 12 1HE2
12 A GLN 12 2HE2
12 A ASN 26 1HD2
12 A ASN 26 2HD2
12 A GLN 35 1HE2
12 A GLN 35 2HE2
12 A GLN 47 1HE2
12 A GLN 47 2HE2
12 A GLN 55 1HE2
12 A GLN 55 2HE2
12 A ASN 58 1HD2
12 A ASN 58 2HD2
12 A GLN 79 1HE2
12 A GLN 79 2HE2
12 A ASN 86 1HD2
12 A ASN 86 2HD2
12 A GLN 109 1HE2
12 A GLN 109 2HE2
12 A GLN 131 1HE2
12 A GLN 131 2HE2
13 A GLN 2 1HE2
13 A GLN 2 2HE2
13 A ASN 6 1HD2
13 A ASN 6 2HD2
13 A GLN 12 1HE2
13 A GLN 12 2HE2
13 A ASN 26 1HD2
13 A ASN 26 2HD2
13 A GLN 35 1HE2
13 A GLN 35 2HE2
13 A GLN 47 1HE2
13 A GLN 47 2HE2
13 A GLN 55 1HE2
13 A GLN 55 2HE2
13 A ASN 58 1HD2
13 A ASN 58 2HD2
13 A GLN 79 1HE2
13 A GLN 79 2HE2
13 A ASN 86 1HD2
13 A ASN 86 2HD2
13 A GLN 109 1HE2
13 A GLN 109 2HE2
13 A GLN 131 1HE2
13 A GLN 131 2HE2
14 A GLN 2 1HE2
14 A GLN 2 2HE2
14 A ASN 6 1HD2
14 A ASN 6 2HD2
14 A GLN 12 1HE2
14 A GLN 12 2HE2
14 A ASN 26 1HD2
14 A ASN 26 2HD2
14 A GLN 35 1HE2
14 A GLN 35 2HE2
14 A GLN 47 1HE2
14 A GLN 47 2HE2
14 A GLN 55 1HE2
14 A GLN 55 2HE2
14 A ASN 58 1HD2
14 A ASN 58 2HD2
14 A GLN 79 1HE2
14 A GLN 79 2HE2
14 A ASN 86 1HD2
14 A ASN 86 2HD2
14 A GLN 109 1HE2
14 A GLN 109 2HE2
14 A GLN 131 1HE2
14 A GLN 131 2HE2
15 A GLN 2 1HE2
15 A GLN 2 2HE2
15 A ASN 6 1HD2
15 A ASN 6 2HD2
15 A GLN 12 1HE2
15 A GLN 12 2HE2
15 A ASN 26 1HD2
15 A ASN 26 2HD2
15 A GLN 35 1HE2
15 A GLN 35 2HE2
15 A GLN 47 1HE2
15 A GLN 47 2HE2
15 A GLN 55 1HE2
15 A GLN 55 2HE2
15 A ASN 58 1HD2
15 A ASN 58 2HD2
15 A GLN 79 1HE2
15 A GLN 79 2HE2
15 A ASN 86 1HD2
15 A ASN 86 2HD2
15 A GLN 109 1HE2
15 A GLN 109 2HE2
15 A GLN 131 1HE2
15 A GLN 131 2HE2
16 A GLN 2 1HE2
16 A GLN 2 2HE2
16 A ASN 6 1HD2
16 A ASN 6 2HD2
16 A GLN 12 1HE2
16 A GLN 12 2HE2
16 A ASN 26 1HD2
16 A ASN 26 2HD2
16 A GLN 35 1HE2
16 A GLN 35 2HE2
16 A GLN 47 1HE2
16 A GLN 47 2HE2
16 A GLN 55 1HE2
16 A GLN 55 2HE2
16 A ASN 58 1HD2
16 A ASN 58 2HD2
16 A GLN 79 1HE2
16 A GLN 79 2HE2
16 A ASN 86 1HD2
16 A ASN 86 2HD2
16 A GLN 109 1HE2
16 A GLN 109 2HE2
16 A GLN 131 1HE2
16 A GLN 131 2HE2
17 A GLN 2 1HE2
17 A GLN 2 2HE2
17 A ASN 6 1HD2
17 A ASN 6 2HD2
17 A GLN 12 1HE2
17 A GLN 12 2HE2
17 A ASN 26 1HD2
17 A ASN 26 2HD2
17 A GLN 35 1HE2
17 A GLN 35 2HE2
17 A GLN 47 1HE2
17 A GLN 47 2HE2
17 A GLN 55 1HE2
17 A GLN 55 2HE2
17 A ASN 58 1HD2
17 A ASN 58 2HD2
17 A GLN 79 1HE2
17 A GLN 79 2HE2
17 A ASN 86 1HD2
17 A ASN 86 2HD2
17 A GLN 109 1HE2
17 A GLN 109 2HE2
17 A GLN 131 1HE2
17 A GLN 131 2HE2
18 A GLN 2 1HE2
18 A GLN 2 2HE2
18 A ASN 6 1HD2
18 A ASN 6 2HD2
18 A GLN 12 1HE2
18 A GLN 12 2HE2
18 A ASN 26 1HD2
18 A ASN 26 2HD2
18 A GLN 35 1HE2
18 A GLN 35 2HE2
18 A GLN 47 1HE2
18 A GLN 47 2HE2
18 A GLN 55 1HE2
18 A GLN 55 2HE2
18 A ASN 58 1HD2
18 A ASN 58 2HD2
18 A GLN 79 1HE2
18 A GLN 79 2HE2
18 A ASN 86 1HD2
18 A ASN 86 2HD2
18 A GLN 109 1HE2
18 A GLN 109 2HE2
18 A GLN 131 1HE2
18 A GLN 131 2HE2
19 A GLN 2 1HE2
19 A GLN 2 2HE2
19 A ASN 6 1HD2
19 A ASN 6 2HD2
19 A GLN 12 1HE2
19 A GLN 12 2HE2
19 A ASN 26 1HD2
19 A ASN 26 2HD2
19 A GLN 35 1HE2
19 A GLN 35 2HE2
19 A GLN 47 1HE2
19 A GLN 47 2HE2
19 A GLN 55 1HE2
19 A GLN 55 2HE2
19 A ASN 58 1HD2
19 A ASN 58 2HD2
19 A GLN 79 1HE2
19 A GLN 79 2HE2
19 A ASN 86 1HD2
19 A ASN 86 2HD2
19 A GLN 109 1HE2
19 A GLN 109 2HE2
19 A GLN 131 1HE2
19 A GLN 131 2HE2
20 A GLN 2 1HE2
20 A GLN 2 2HE2
20 A ASN 6 1HD2
20 A ASN 6 2HD2
20 A GLN 12 1HE2
20 A GLN 12 2HE2
20 A ASN 26 1HD2
20 A ASN 26 2HD2
20 A GLN 35 1HE2
20 A GLN 35 2HE2
20 A GLN 47 1HE2
20 A GLN 47 2HE2
20 A GLN 55 1HE2
20 A GLN 55 2HE2
20 A ASN 58 1HD2
20 A ASN 58 2HD2
20 A GLN 79 1HE2
20 A GLN 79 2HE2
20 A ASN 86 1HD2
20 A ASN 86 2HD2
20 A GLN 109 1HE2
20 A GLN 109 2HE2
20 A GLN 131 1HE2
20 A GLN 131 2HE2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 24) HE2
GLU( 1 A 38) HE2
ASP( 1 A 40) HD2
GLU( 1 A 53) HE2
ASP( 1 A 60) HD2
GLU( 1 A 65) HE2
GLU( 1 A 82) HE2
GLU( 1 A 91) HE2
HIS( 1 A 96) HD1
GLU( 1 A 106) HE2
GLU( 1 A 107) HE2
ASP( 1 A 125) HD2
ASP( 1 A 129) HD2
GLU( 1 A 132) HE2
ASP( 1 A 135) HD2
GLU( 1 A 139) HE2
GLU( 1 A 140) HE2
GLU( 1 A 149) HE2
HIS( 1 A 150) HE2
HIS( 1 A 151) HD1
HIS( 1 A 152) HE2
HIS( 1 A 153) HD1
HIS( 1 A 154) HE2
HIS( 1 A 155) HD1
GLU( 2 A 24) HE2
GLU( 2 A 38) HE2
ASP( 2 A 40) HD2
GLU( 2 A 53) HE2
ASP( 2 A 60) HD2
GLU( 2 A 65) HE2
GLU( 2 A 82) HE2
GLU( 2 A 91) HE2
HIS( 2 A 96) HD1
GLU( 2 A 106) HE2
GLU( 2 A 107) HE2
ASP( 2 A 125) HD2
ASP( 2 A 129) HD2
GLU( 2 A 132) HE2
ASP( 2 A 135) HD2
GLU( 2 A 139) HE2
GLU( 2 A 140) HE2
GLU( 2 A 149) HE2
HIS( 2 A 150) HD1
HIS( 2 A 151) HE2
HIS( 2 A 152) HD1
HIS( 2 A 153) HD1
HIS( 2 A 154) HD1
HIS( 2 A 155) HD1
GLU( 3 A 24) HE2
GLU( 3 A 38) HE2
ASP( 3 A 40) HD2
GLU( 3 A 53) HE2
ASP( 3 A 60) HD2
GLU( 3 A 65) HE2
GLU( 3 A 82) HE2
GLU( 3 A 91) HE2
HIS( 3 A 96) HD1
GLU( 3 A 106) HE2
GLU( 3 A 107) HE2
ASP( 3 A 125) HD2
ASP( 3 A 129) HD2
GLU( 3 A 132) HE2
ASP( 3 A 135) HD2
GLU( 3 A 139) HE2
GLU( 3 A 140) HE2
GLU( 3 A 149) HE2
HIS( 3 A 150) HE2
HIS( 3 A 151) HD1
HIS( 3 A 152) HD1
HIS( 3 A 153) HE2
HIS( 3 A 154) HD1
HIS( 3 A 155) HD1
GLU( 4 A 24) HE2
GLU( 4 A 38) HE2
ASP( 4 A 40) HD2
GLU( 4 A 53) HE2
ASP( 4 A 60) HD2
GLU( 4 A 65) HE2
GLU( 4 A 82) HE2
GLU( 4 A 91) HE2
HIS( 4 A 96) HD1
GLU( 4 A 106) HE2
GLU( 4 A 107) HE2
ASP( 4 A 125) HD2
ASP( 4 A 129) HD2
GLU( 4 A 132) HE2
ASP( 4 A 135) HD2
GLU( 4 A 139) HE2
GLU( 4 A 140) HE2
GLU( 4 A 149) HE2
HIS( 4 A 150) HE2
HIS( 4 A 151) HD1
HIS( 4 A 152) HE2
HIS( 4 A 153) HE2
HIS( 4 A 154) HD1
HIS( 4 A 155) HE2
GLU( 5 A 24) HE2
GLU( 5 A 38) HE2
ASP( 5 A 40) HD2
GLU( 5 A 53) HE2
ASP( 5 A 60) HD2
GLU( 5 A 65) HE2
GLU( 5 A 82) HE2
GLU( 5 A 91) HE2
HIS( 5 A 96) HD1
GLU( 5 A 106) HE2
GLU( 5 A 107) HE2
ASP( 5 A 125) HD2
ASP( 5 A 129) HD2
GLU( 5 A 132) HE2
ASP( 5 A 135) HD2
GLU( 5 A 139) HE2
GLU( 5 A 140) HE2
GLU( 5 A 149) HE2
HIS( 5 A 150) HD1
HIS( 5 A 151) HD1
HIS( 5 A 152) HE2
HIS( 5 A 153) HE2
HIS( 5 A 154) HD1
HIS( 5 A 155) HD1
GLU( 6 A 24) HE2
GLU( 6 A 38) HE2
ASP( 6 A 40) HD2
GLU( 6 A 53) HE2
ASP( 6 A 60) HD2
GLU( 6 A 65) HE2
GLU( 6 A 82) HE2
GLU( 6 A 91) HE2
HIS( 6 A 96) HD1
GLU( 6 A 106) HE2
GLU( 6 A 107) HE2
ASP( 6 A 125) HD2
ASP( 6 A 129) HD2
GLU( 6 A 132) HE2
ASP( 6 A 135) HD2
GLU( 6 A 139) HE2
GLU( 6 A 140) HE2
GLU( 6 A 149) HE2
HIS( 6 A 150) HD1
HIS( 6 A 151) HE2
HIS( 6 A 152) HD1
HIS( 6 A 153) HE2
HIS( 6 A 154) HD1
HIS( 6 A 155) HD1
GLU( 7 A 24) HE2
GLU( 7 A 38) HE2
ASP( 7 A 40) HD2
GLU( 7 A 53) HE2
ASP( 7 A 60) HD2
GLU( 7 A 65) HE2
GLU( 7 A 82) HE2
GLU( 7 A 91) HE2
HIS( 7 A 96) HD1
GLU( 7 A 106) HE2
GLU( 7 A 107) HE2
ASP( 7 A 125) HD2
ASP( 7 A 129) HD2
GLU( 7 A 132) HE2
ASP( 7 A 135) HD2
GLU( 7 A 139) HE2
GLU( 7 A 140) HE2
GLU( 7 A 149) HE2
HIS( 7 A 150) HE2
HIS( 7 A 151) HD1
HIS( 7 A 152) HE2
HIS( 7 A 153) HE2
HIS( 7 A 154) HD1
HIS( 7 A 155) HE2
GLU( 8 A 24) HE2
GLU( 8 A 38) HE2
ASP( 8 A 40) HD2
GLU( 8 A 53) HE2
ASP( 8 A 60) HD2
GLU( 8 A 65) HE2
GLU( 8 A 82) HE2
GLU( 8 A 91) HE2
HIS( 8 A 96) HD1
GLU( 8 A 106) HE2
GLU( 8 A 107) HE2
ASP( 8 A 125) HD2
ASP( 8 A 129) HD2
GLU( 8 A 132) HE2
ASP( 8 A 135) HD2
GLU( 8 A 139) HE2
GLU( 8 A 140) HE2
GLU( 8 A 149) HE2
HIS( 8 A 150) HD1
HIS( 8 A 151) HD1
HIS( 8 A 152) HE2
HIS( 8 A 153) HE2
HIS( 8 A 154) HD1
HIS( 8 A 155) HD1
GLU( 9 A 24) HE2
GLU( 9 A 38) HE2
ASP( 9 A 40) HD2
GLU( 9 A 53) HE2
ASP( 9 A 60) HD2
GLU( 9 A 65) HE2
GLU( 9 A 82) HE2
GLU( 9 A 91) HE2
HIS( 9 A 96) HD1
GLU( 9 A 106) HE2
GLU( 9 A 107) HE2
ASP( 9 A 125) HD2
ASP( 9 A 129) HD2
GLU( 9 A 132) HE2
ASP( 9 A 135) HD2
GLU( 9 A 139) HE2
GLU( 9 A 140) HE2
GLU( 9 A 149) HE2
HIS( 9 A 150) HE2
HIS( 9 A 151) HE2
HIS( 9 A 152) HD1
HIS( 9 A 153) HE2
HIS( 9 A 154) HE2
HIS( 9 A 155) HE2
GLU( 10 A 24) HE2
GLU( 10 A 38) HE2
ASP( 10 A 40) HD2
GLU( 10 A 53) HE2
ASP( 10 A 60) HD2
GLU( 10 A 65) HE2
GLU( 10 A 82) HE2
GLU( 10 A 91) HE2
HIS( 10 A 96) HD1
GLU( 10 A 106) HE2
GLU( 10 A 107) HE2
ASP( 10 A 125) HD2
ASP( 10 A 129) HD2
GLU( 10 A 132) HE2
ASP( 10 A 135) HD2
GLU( 10 A 139) HE2
GLU( 10 A 140) HE2
GLU( 10 A 149) HE2
HIS( 10 A 150) HE2
HIS( 10 A 151) HD1
HIS( 10 A 152) HE2
HIS( 10 A 153) HE2
HIS( 10 A 154) HE2
HIS( 10 A 155) HD1
GLU( 11 A 24) HE2
GLU( 11 A 38) HE2
ASP( 11 A 40) HD2
GLU( 11 A 53) HE2
ASP( 11 A 60) HD2
GLU( 11 A 65) HE2
GLU( 11 A 82) HE2
GLU( 11 A 91) HE2
HIS( 11 A 96) HD1
GLU( 11 A 106) HE2
GLU( 11 A 107) HE2
ASP( 11 A 125) HD2
ASP( 11 A 129) HD2
GLU( 11 A 132) HE2
ASP( 11 A 135) HD2
GLU( 11 A 139) HE2
GLU( 11 A 140) HE2
GLU( 11 A 149) HE2
HIS( 11 A 150) HD1
HIS( 11 A 151) HE2
HIS( 11 A 152) HE2
HIS( 11 A 153) HD1
HIS( 11 A 154) HD1
HIS( 11 A 155) HE2
GLU( 12 A 24) HE2
GLU( 12 A 38) HE2
ASP( 12 A 40) HD2
GLU( 12 A 53) HE2
ASP( 12 A 60) HD2
GLU( 12 A 65) HE2
GLU( 12 A 82) HE2
GLU( 12 A 91) HE2
HIS( 12 A 96) HD1
GLU( 12 A 106) HE2
GLU( 12 A 107) HE2
ASP( 12 A 125) HD2
ASP( 12 A 129) HD2
GLU( 12 A 132) HE2
ASP( 12 A 135) HD2
GLU( 12 A 139) HE2
GLU( 12 A 140) HE2
GLU( 12 A 149) HE2
HIS( 12 A 150) HD1
HIS( 12 A 151) HE2
HIS( 12 A 152) HE2
HIS( 12 A 153) HD1
HIS( 12 A 154) HD1
HIS( 12 A 155) HE2
GLU( 13 A 24) HE2
GLU( 13 A 38) HE2
ASP( 13 A 40) HD2
GLU( 13 A 53) HE2
ASP( 13 A 60) HD2
GLU( 13 A 65) HE2
GLU( 13 A 82) HE2
GLU( 13 A 91) HE2
HIS( 13 A 96) HD1
GLU( 13 A 106) HE2
GLU( 13 A 107) HE2
ASP( 13 A 125) HD2
ASP( 13 A 129) HD2
GLU( 13 A 132) HE2
ASP( 13 A 135) HD2
GLU( 13 A 139) HE2
GLU( 13 A 140) HE2
GLU( 13 A 149) HE2
HIS( 13 A 150) HD1
HIS( 13 A 151) HE2
HIS( 13 A 152) HD1
HIS( 13 A 153) HD1
HIS( 13 A 154) HD1
HIS( 13 A 155) HE2
GLU( 14 A 24) HE2
GLU( 14 A 38) HE2
ASP( 14 A 40) HD2
GLU( 14 A 53) HE2
ASP( 14 A 60) HD2
GLU( 14 A 65) HE2
GLU( 14 A 82) HE2
GLU( 14 A 91) HE2
HIS( 14 A 96) HD1
GLU( 14 A 106) HE2
GLU( 14 A 107) HE2
ASP( 14 A 125) HD2
ASP( 14 A 129) HD2
GLU( 14 A 132) HE2
ASP( 14 A 135) HD2
GLU( 14 A 139) HE2
GLU( 14 A 140) HE2
GLU( 14 A 149) HE2
HIS( 14 A 150) HE2
HIS( 14 A 151) HD1
HIS( 14 A 152) HE2
HIS( 14 A 153) HE2
HIS( 14 A 154) HD1
HIS( 14 A 155) HE2
GLU( 15 A 24) HE2
GLU( 15 A 38) HE2
ASP( 15 A 40) HD2
GLU( 15 A 53) HE2
ASP( 15 A 60) HD2
GLU( 15 A 65) HE2
GLU( 15 A 82) HE2
GLU( 15 A 91) HE2
HIS( 15 A 96) HD1
GLU( 15 A 106) HE2
GLU( 15 A 107) HE2
ASP( 15 A 125) HD2
ASP( 15 A 129) HD2
GLU( 15 A 132) HE2
ASP( 15 A 135) HD2
GLU( 15 A 139) HE2
GLU( 15 A 140) HE2
GLU( 15 A 149) HE2
HIS( 15 A 150) HE2
HIS( 15 A 151) HE2
HIS( 15 A 152) HD1
HIS( 15 A 153) HD1
HIS( 15 A 154) HE2
HIS( 15 A 155) HD1
GLU( 16 A 24) HE2
GLU( 16 A 38) HE2
ASP( 16 A 40) HD2
GLU( 16 A 53) HE2
ASP( 16 A 60) HD2
GLU( 16 A 65) HE2
GLU( 16 A 82) HE2
GLU( 16 A 91) HE2
HIS( 16 A 96) HD1
GLU( 16 A 106) HE2
GLU( 16 A 107) HE2
ASP( 16 A 125) HD2
ASP( 16 A 129) HD2
GLU( 16 A 132) HE2
ASP( 16 A 135) HD2
GLU( 16 A 139) HE2
GLU( 16 A 140) HE2
GLU( 16 A 149) HE2
HIS( 16 A 150) HD1
HIS( 16 A 151) HE2
HIS( 16 A 152) HD1
HIS( 16 A 153) HE2
HIS( 16 A 154) HE2
HIS( 16 A 155) HD1
GLU( 17 A 24) HE2
GLU( 17 A 38) HE2
ASP( 17 A 40) HD2
GLU( 17 A 53) HE2
ASP( 17 A 60) HD2
GLU( 17 A 65) HE2
GLU( 17 A 82) HE2
GLU( 17 A 91) HE2
HIS( 17 A 96) HD1
GLU( 17 A 106) HE2
GLU( 17 A 107) HE2
ASP( 17 A 125) HD2
ASP( 17 A 129) HD2
GLU( 17 A 132) HE2
ASP( 17 A 135) HD2
GLU( 17 A 139) HE2
GLU( 17 A 140) HE2
GLU( 17 A 149) HE2
HIS( 17 A 150) HE2
HIS( 17 A 151) HE2
HIS( 17 A 152) HD1
HIS( 17 A 153) HE2
HIS( 17 A 154) HD1
HIS( 17 A 155) HE2
GLU( 18 A 24) HE2
GLU( 18 A 38) HE2
ASP( 18 A 40) HD2
GLU( 18 A 53) HE2
ASP( 18 A 60) HD2
GLU( 18 A 65) HE2
GLU( 18 A 82) HE2
GLU( 18 A 91) HE2
HIS( 18 A 96) HD1
GLU( 18 A 106) HE2
GLU( 18 A 107) HE2
ASP( 18 A 125) HD2
ASP( 18 A 129) HD2
GLU( 18 A 132) HE2
ASP( 18 A 135) HD2
GLU( 18 A 139) HE2
GLU( 18 A 140) HE2
GLU( 18 A 149) HE2
HIS( 18 A 150) HE2
HIS( 18 A 151) HD1
HIS( 18 A 152) HD1
HIS( 18 A 153) HD1
HIS( 18 A 154) HD1
HIS( 18 A 155) HD1
GLU( 19 A 24) HE2
GLU( 19 A 38) HE2
ASP( 19 A 40) HD2
GLU( 19 A 53) HE2
ASP( 19 A 60) HD2
GLU( 19 A 65) HE2
GLU( 19 A 82) HE2
GLU( 19 A 91) HE2
HIS( 19 A 96) HD1
GLU( 19 A 106) HE2
GLU( 19 A 107) HE2
ASP( 19 A 125) HD2
ASP( 19 A 129) HD2
GLU( 19 A 132) HE2
ASP( 19 A 135) HD2
GLU( 19 A 139) HE2
GLU( 19 A 140) HE2
GLU( 19 A 149) HE2
HIS( 19 A 150) HD1
HIS( 19 A 151) HD1
HIS( 19 A 152) HD1
HIS( 19 A 153) HE2
HIS( 19 A 154) HE2
HIS( 19 A 155) HE2
GLU( 20 A 24) HE2
GLU( 20 A 38) HE2
ASP( 20 A 40) HD2
GLU( 20 A 53) HE2
ASP( 20 A 60) HD2
GLU( 20 A 65) HE2
GLU( 20 A 82) HE2
GLU( 20 A 91) HE2
HIS( 20 A 96) HD1
GLU( 20 A 106) HE2
GLU( 20 A 107) HE2
ASP( 20 A 125) HD2
ASP( 20 A 129) HD2
GLU( 20 A 132) HE2
ASP( 20 A 135) HD2
GLU( 20 A 139) HE2
GLU( 20 A 140) HE2
GLU( 20 A 149) HE2
HIS( 20 A 150) HD1
HIS( 20 A 151) HE2
HIS( 20 A 152) HD1
HIS( 20 A 153) HE2
HIS( 20 A 154) HE2
HIS( 20 A 155) HD1
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 155) O2
HIS( 2 A 155) O2
HIS( 3 A 155) O2
HIS( 4 A 155) O2
HIS( 5 A 155) O2
HIS( 6 A 155) O2
HIS( 7 A 155) O2
HIS( 8 A 155) O2
HIS( 9 A 155) O2
HIS( 10 A 155) O2
HIS( 11 A 155) O2
HIS( 12 A 155) O2
HIS( 13 A 155) O2
HIS( 14 A 155) O2
HIS( 15 A 155) O2
HIS( 16 A 155) O2
HIS( 17 A 155) O2
HIS( 18 A 155) O2
HIS( 19 A 155) O2
HIS( 20 A 155) O2
SGR209C_R3Cons_em_bcr3.pdb: Missing KEYWDS records
SGR209C_R3Cons_em_bcr3.pdb: Missing TITLE record