Detailed results of STR70_NMR_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1513
# INTRA-RESIDUE RESTRAINTS (I=J) : 373
# SEQUENTIAL RESTRAINTS (I-J)=1 : 424
# BACKBONE-BACKBONE : 107
# BACKBONE-SIDE CHAIN : 30
# SIDE CHAIN-SIDE CHAIN : 287
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 206
# BACKBONE-BACKBONE : 42
# BACKBONE-SIDE CHAIN : 50
# SIDE CHAIN-SIDE CHAIN : 114
# LONG RANGE RESTRAINTS (I-J)>=5 : 510
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1513
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 0.0 0.0 0.0 0.0 0.0
ALA 2 0 0.0 0.0 0.0 0.0 0.0
ASN 3 0 0.0 0.0 0.0 0.0 0.0
ASP 4 0 0.0 0.0 0.0 0.0 0.0
THR 5 0 0.0 0.0 0.0 0.0 0.0
PRO 6 0 0.0 0.0 0.0 0.0 0.0
PHE 7 0 0.0 0.0 0.0 0.0 0.0
SER 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
LEU 10 0 0.0 0.0 0.0 0.0 0.0
TRP 11 5 15.5 3.0 3.0 9.5 0.0
GLN 12 7 10.0 5.0 5.0 0.0 0.0
ARG 13 9 4.0 3.0 1.0 0.0 0.0
LEU 14 8 7.0 4.0 1.0 2.0 0.0
LEU 15 7 15.5 5.5 6.5 3.5 0.0
THR 16 1 5.0 3.5 1.5 0.0 0.0
ARG 17 0 1.5 1.0 0.0 0.5 0.0
GLY 18 0 0.0 0.0 0.0 0.0 0.0
TRP 19 5 19.0 1.5 0.0 17.5 0.0
GLN 20 7 7.5 1.5 1.0 5.0 0.0
PRO 21 0 13.5 3.5 0.0 10.0 0.0
VAL 22 2 22.0 7.0 1.0 14.0 0.0
GLU 23 6 17.5 7.0 5.0 5.5 0.0
ALA 24 1 12.5 3.5 2.0 7.0 0.0
SER 25 0 0.5 0.0 0.5 0.0 0.0
THR 26 1 6.0 0.5 5.5 0.0 0.0
VAL 27 3 21.5 3.5 9.5 8.5 0.0
ASP 28 3 6.5 5.0 1.5 0.0 0.0
ASP 29 3 9.0 4.0 5.0 0.0 0.0
TRP 30 6 26.5 8.0 7.0 11.5 0.0
ILE 31 7 25.5 10.0 7.0 8.5 0.0
LYS 32 12 10.5 7.0 3.5 0.0 0.0
ARG 33 7 9.0 7.5 1.5 0.0 0.0
VAL 34 3 24.0 7.0 8.0 9.0 0.0
GLY 35 0 8.0 4.0 1.5 2.5 0.0
ASP 36 2 11.0 4.5 2.0 4.5 0.0
GLY 37 0 16.5 5.5 1.5 9.5 0.0
VAL 38 1 22.5 5.5 0.5 16.5 0.0
ILE 39 5 25.0 6.0 1.5 17.5 0.0
LEU 40 7 24.0 6.5 0.5 17.0 0.0
LEU 41 4 17.5 5.5 1.5 10.5 0.0
SER 42 3 6.0 2.0 0.0 4.0 0.0
SER 43 0 0.0 0.0 0.0 0.0 0.0
ASP 44 0 0.0 0.0 0.0 0.0 0.0
PRO 45 0 0.0 0.0 0.0 0.0 0.0
ARG 46 0 0.0 0.0 0.0 0.0 0.0
ARG 47 0 0.0 0.0 0.0 0.0 0.0
THR 48 0 0.0 0.0 0.0 0.0 0.0
PRO 49 0 0.0 0.0 0.0 0.0 0.0
GLU 50 0 0.0 0.0 0.0 0.0 0.0
VAL 51 0 0.0 0.0 0.0 0.0 0.0
SER 52 0 0.0 0.0 0.0 0.0 0.0
ASP 53 0 0.0 0.0 0.0 0.0 0.0
ASN 54 0 0.0 0.0 0.0 0.0 0.0
PRO 55 0 10.5 2.5 2.5 5.5 0.0
VAL 56 1 6.5 4.5 1.5 0.5 0.0
MET 57 2 5.0 3.5 1.0 0.5 0.0
ILE 58 4 16.0 5.0 6.5 4.5 0.0
ALA 59 1 11.0 4.5 3.5 3.0 0.0
GLU 60 10 6.0 3.5 2.0 0.5 0.0
LEU 61 7 22.0 5.0 10.5 6.5 0.0
LEU 62 5 19.5 5.5 1.5 12.5 0.0
ARG 63 6 6.0 4.0 2.0 0.0 0.0
GLU 64 4 11.5 4.0 6.0 1.5 0.0
PHE 65 5 14.0 4.0 2.5 7.5 0.0
PRO 66 0 1.0 1.0 0.0 0.0 0.0
GLN 67 9 4.5 3.5 1.0 0.0 0.0
PHE 68 6 12.5 6.5 3.5 2.5 0.0
ASP 69 3 4.0 4.0 0.0 0.0 0.0
TRP 70 8 31.0 4.0 2.5 24.5 0.0
GLN 71 5 20.0 5.5 0.0 14.5 0.0
VAL 72 2 21.0 5.5 1.0 14.5 0.0
ALA 73 0 15.0 5.0 0.0 10.0 0.0
VAL 74 2 20.5 5.0 0.5 15.0 0.0
ALA 75 0 12.5 4.0 1.0 7.5 0.0
ASP 76 0 3.5 2.0 0.0 1.5 0.0
LEU 77 4 5.5 5.0 0.0 0.5 0.0
GLU 78 5 6.0 6.0 0.0 0.0 0.0
GLN 79 9 10.5 3.5 1.5 5.5 0.0
SER 80 1 10.0 2.0 3.0 5.0 0.0
GLU 81 6 2.0 2.0 0.0 0.0 0.0
ALA 82 1 6.5 3.0 3.5 0.0 0.0
ILE 83 6 20.0 5.0 5.0 10.0 0.0
GLY 84 1 12.0 4.5 1.5 6.0 0.0
ASP 85 3 6.0 2.5 3.5 0.0 0.0
ARG 86 9 7.5 6.0 1.0 0.5 0.0
PHE 87 6 23.0 7.5 6.5 9.0 0.0
ASN 88 2 6.5 5.5 1.0 0.0 0.0
VAL 89 4 17.5 2.5 3.5 11.5 0.0
ARG 90 0 0.0 0.0 0.0 0.0 0.0
ARG 91 0 0.0 0.0 0.0 0.0 0.0
PHE 92 0 0.0 0.0 0.0 0.0 0.0
PRO 93 0 1.0 1.0 0.0 0.0 0.0
ALA 94 0 12.0 3.5 0.5 8.0 0.0
THR 95 2 17.0 6.0 0.0 11.0 0.0
LEU 96 9 22.5 6.5 2.5 13.5 0.0
VAL 97 2 15.0 6.0 0.5 8.5 0.0
PHE 98 7 23.0 5.5 2.0 15.5 0.0
THR 99 1 11.5 4.5 1.5 5.5 0.0
ASP 100 4 7.5 4.5 2.5 0.5 0.0
GLY 101 0 9.0 4.0 0.5 4.5 0.0
LYS 102 17 6.5 3.0 3.0 0.5 0.0
LEU 103 4 19.0 4.5 3.0 11.5 0.0
ARG 104 6 12.5 6.0 0.0 6.5 0.0
GLY 105 0 11.5 5.0 3.0 3.5 0.0
ALA 106 0 11.0 3.0 0.0 8.0 0.0
LEU 107 5 13.5 1.0 0.0 12.5 0.0
SER 108 0 0.0 0.0 0.0 0.0 0.0
GLY 109 0 0.0 0.0 0.0 0.0 0.0
ILE 110 1 0.0 0.0 0.0 0.0 0.0
HIS 111 0 0.0 0.0 0.0 0.0 0.0
PRO 112 0 0.0 0.0 0.0 0.0 0.0
TRP 113 3 14.5 3.0 3.5 8.0 0.0
ALA 114 0 5.0 4.5 0.5 0.0 0.0
GLU 115 4 5.5 4.5 1.0 0.0 0.0
LEU 116 7 12.5 6.5 4.0 2.0 0.0
LEU 117 7 8.5 6.5 1.5 0.5 0.0
THR 118 2 5.5 4.5 1.0 0.0 0.0
LEU 119 6 7.0 5.0 1.5 0.5 0.0
MET 120 2 12.0 6.0 3.0 3.0 0.0
ARG 121 7 10.5 5.5 2.5 2.5 0.0
SER 122 3 4.0 4.0 0.0 0.0 0.0
ILE 123 6 12.5 4.5 2.5 5.5 0.0
VAL 124 3 11.0 5.5 1.5 4.0 0.0
ASP 125 3 4.5 4.0 0.5 0.0 0.0
THR 126 0 5.0 5.0 0.0 0.0 0.0
PRO 127 0 3.0 3.0 0.0 0.0 0.0
ALA 128 0 0.0 0.0 0.0 0.0 0.0
ALA 129 0 0.0 0.0 0.0 0.0 0.0
GLN 130 0 0.0 0.0 0.0 0.0 0.0
GLU 131 0 0.0 0.0 0.0 0.0 0.0
THR 132 0 0.0 0.0 0.0 0.0 0.0
VAL 133 0 0.0 0.0 0.0 0.0 0.0
GLN 134 0 0.0 0.0 0.0 0.0 0.0
LEU 135 0 0.0 0.0 0.0 0.0 0.0
GLU 136 0 0.0 0.0 0.0 0.0 0.0
HIS 137 0 0.0 0.0 0.0 0.0 0.0
HIS 138 0 0.0 0.0 0.0 0.0 0.0
HIS 139 0 0.0 0.0 0.0 0.0 0.0
HIS 140 0 0.0 0.0 0.0 0.0 0.0
HIS 141 0 0.0 0.0 0.0 0.0 0.0
HIS 142 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 373 1140.0 424.0 206.0 510.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1513.0
List of conformationally-resticting NOE constraints
assign ((resid 11 and name HN )) ( (resid 11 and name HB2 )) 2.73 0.94 0.94
assign ((resid 11 and name HN )) ( (resid 11 and name HB1 )) 2.73 0.94 0.94
assign ((resid 11 and name HN )) ( (resid 12 and name HN )) 2.84 1.05 1.05
assign ((resid 11 and name HA )) ( (resid 11 and name HE3 )) 3.32 1.53 1.53
assign ((resid 11 and name HA )) ( (resid 11 and name HZ3 )) 3.65 1.85 1.85
assign ((resid 11 and name HA )) ( (resid 14 and name HD2* )) 3.31 1.51 1.51
assign ((resid 11 and name HB2 )) ( (resid 12 and name HN )) 2.81 1.02 1.02
assign ((resid 11 and name HB1 )) ( (resid 12 and name HN )) 2.81 1.02 1.02
assign ((resid 11 and name HB* )) ( (resid 11 and name HZ3 )) 3.86 2.06 2.06
assign ((resid 11 and name HD1 )) ( (resid 12 and name HN )) 3.65 1.85 1.85
assign ((resid 11 and name HD1 )) ( (resid 12 and name HB* )) 4.09 2.29 2.29
assign ((resid 11 and name HD1 )) ( (resid 15 and name HD1* )) 4.16 2.37 2.37
assign ((resid 11 and name HE3 )) ( (resid 14 and name HD2* )) 3.90 2.10 2.10
assign ((resid 11 and name HE1 )) ( (resid 12 and name HN )) 3.65 1.85 1.85
assign ((resid 11 and name HE1 )) ( (resid 15 and name HD1* )) 2.81 1.02 1.02
assign ((resid 11 and name HE1 )) ( (resid 15 and name HD2* )) 2.83 1.03 1.03
assign ((resid 11 and name HE1 )) ( (resid 21 and name HB* )) 4.09 2.29 2.29
assign ((resid 11 and name HZ3 )) ( (resid 74 and name HB )) 3.65 1.85 1.85
assign ((resid 11 and name HZ3 )) ( (resid 74 and name HG1* )) 4.16 2.37 2.37
assign ((resid 11 and name HZ3 )) ( (resid 74 and name HG2* )) 3.91 2.12 2.12
assign ((resid 11 and name HZ2 )) ( (resid 15 and name HD1* )) 3.63 1.84 1.84
assign ((resid 11 and name HZ2 )) ( (resid 21 and name HA )) 3.65 1.85 1.85
assign ((resid 11 and name HZ2 )) ( (resid 21 and name HB2 )) 3.59 1.79 1.79
assign ((resid 11 and name HZ2 )) ( (resid 21 and name HB1 )) 3.59 1.79 1.79
assign ((resid 11 and name HZ2 )) ( (resid 21 and name HG2 )) 3.65 1.85 1.85
assign ((resid 11 and name HZ2 )) ( (resid 21 and name HG1 )) 3.65 1.85 1.85
assign ((resid 11 and name HZ2 )) ( (resid 76 and name HN )) 3.65 1.85 1.85
assign ((resid 11 and name HH2 )) ( (resid 21 and name HA )) 3.65 1.85 1.85
assign ((resid 11 and name HH2 )) ( (resid 21 and name HB2 )) 3.65 1.85 1.85
assign ((resid 11 and name HH2 )) ( (resid 21 and name HB1 )) 3.65 1.85 1.85
assign ((resid 11 and name HH2 )) ( (resid 21 and name HG* )) 4.09 2.29 2.29
assign ((resid 11 and name HH2 )) ( (resid 74 and name HG1* )) 3.31 1.51 1.51
assign ((resid 11 and name HH2 )) ( (resid 74 and name HG2* )) 3.85 2.06 2.06
assign ((resid 11 and name HH2 )) ( (resid 75 and name HA )) 3.65 1.85 1.85
assign ((resid 11 and name HH2 )) ( (resid 76 and name HN )) 3.65 1.85 1.85
assign ((resid 11 and name HH2 )) ( (resid 76 and name HA )) 3.65 1.85 1.85
assign ((resid 12 and name HN )) ( (resid 12 and name HB2 )) 2.59 0.80 0.80
assign ((resid 12 and name HN )) ( (resid 12 and name HB1 )) 2.59 0.80 0.80
assign ((resid 12 and name HN )) ( (resid 12 and name HB* )) 2.40 0.60 0.60
assign ((resid 12 and name HN )) ( (resid 12 and name HG2 )) 3.46 1.67 1.67
assign ((resid 12 and name HN )) ( (resid 12 and name HG1 )) 3.46 1.67 1.67
assign ((resid 12 and name HN )) ( (resid 12 and name HG* )) 3.20 1.41 1.41
assign ((resid 12 and name HN )) ( (resid 13 and name HN )) 2.73 0.94 0.94
assign ((resid 12 and name HA )) ( (resid 12 and name HE2* )) 4.08 2.29 2.29
assign ((resid 12 and name HA )) ( (resid 15 and name HN )) 2.90 1.11 1.11
assign ((resid 12 and name HA )) ( (resid 15 and name HB2 )) 3.09 1.29 1.29
assign ((resid 12 and name HA )) ( (resid 15 and name HB1 )) 3.09 1.29 1.29
assign ((resid 12 and name HA )) ( (resid 15 and name HB* )) 2.73 0.94 0.94
assign ((resid 12 and name HA )) ( (resid 15 and name HG )) 3.65 1.85 1.85
assign ((resid 12 and name HA )) ( (resid 15 and name HD1* )) 3.42 1.62 1.62
assign ((resid 12 and name HB2 )) ( (resid 13 and name HN )) 3.09 1.29 1.29
assign ((resid 12 and name HB1 )) ( (resid 13 and name HN )) 3.09 1.29 1.29
assign ((resid 12 and name HB* )) ( (resid 13 and name HN )) 2.70 0.90 0.90
assign ((resid 12 and name HG2 )) ( (resid 15 and name HD2* )) 4.16 2.37 2.37
assign ((resid 12 and name HG1 )) ( (resid 15 and name HD2* )) 4.16 2.37 2.37
assign ((resid 12 and name HG* )) ( (resid 15 and name HD1* )) 4.60 2.81 2.81
assign ((resid 12 and name HG* )) ( (resid 16 and name HB )) 4.09 2.29 2.29
assign ((resid 13 and name HN )) ( (resid 13 and name HB2 )) 2.81 1.02 1.02
assign ((resid 13 and name HN )) ( (resid 13 and name HB1 )) 2.81 1.02 1.02
assign ((resid 13 and name HN )) ( (resid 13 and name HB* )) 2.63 0.84 0.84
assign ((resid 13 and name HN )) ( (resid 13 and name HG2 )) 3.65 1.85 1.85
assign ((resid 13 and name HN )) ( (resid 13 and name HG1 )) 3.65 1.85 1.85
assign ((resid 13 and name HN )) ( (resid 13 and name HG* )) 3.30 1.51 1.51
assign ((resid 13 and name HN )) ( (resid 13 and name HD2 )) 3.65 1.85 1.85
assign ((resid 13 and name HN )) ( (resid 13 and name HD1 )) 3.65 1.85 1.85
assign ((resid 13 and name HN )) ( (resid 14 and name HN )) 3.00 1.20 1.20
assign ((resid 13 and name HA )) ( (resid 16 and name HB )) 2.67 0.88 0.88
assign ((resid 13 and name HA )) ( (resid 16 and name HG2* )) 4.13 2.34 2.34
assign ((resid 13 and name HB* )) ( (resid 13 and name HG* )) 2.14 0.34 0.34
assign ((resid 13 and name HG* )) ( (resid 14 and name HG )) 3.58 1.78 1.78
assign ((resid 14 and name HN )) ( (resid 14 and name HB2 )) 2.89 1.09 1.09
assign ((resid 14 and name HN )) ( (resid 14 and name HB1 )) 2.89 1.09 1.09
assign ((resid 14 and name HN )) ( (resid 14 and name HB* )) 2.76 0.97 0.97
assign ((resid 14 and name HN )) ( (resid 14 and name HG )) 3.65 1.85 1.85
assign ((resid 14 and name HN )) ( (resid 14 and name HD1* )) 3.36 1.56 1.56
assign ((resid 14 and name HN )) ( (resid 14 and name HD2* )) 3.59 1.79 1.79
assign ((resid 14 and name HN )) ( (resid 15 and name HN )) 2.72 0.92 0.92
assign ((resid 14 and name HA )) ( (resid 14 and name HD1* )) 3.00 1.20 1.20
assign ((resid 14 and name HA )) ( (resid 14 and name HD2* )) 3.18 1.39 1.39
assign ((resid 14 and name HB2 )) ( (resid 15 and name HN )) 2.80 1.00 1.00
assign ((resid 14 and name HB1 )) ( (resid 15 and name HN )) 2.80 1.00 1.00
assign ((resid 14 and name HB* )) ( (resid 15 and name HN )) 2.67 0.87 0.87
assign ((resid 14 and name HB* )) ( (resid 74 and name HG2* )) 4.60 2.81 2.81
assign ((resid 14 and name HG )) ( (resid 55 and name HG* )) 4.09 2.29 2.29
assign ((resid 14 and name HD1* )) ( (resid 15 and name HN )) 4.04 2.24 2.24
assign ((resid 14 and name HD1* )) ( (resid 19 and name HE3 )) 3.22 1.42 1.42
assign ((resid 14 and name HD1* )) ( (resid 19 and name HZ3 )) 3.29 1.50 1.50
assign ((resid 14 and name HD2* )) ( (resid 15 and name HN )) 4.16 2.37 2.37
assign ((resid 15 and name HN )) ( (resid 15 and name HB2 )) 2.75 0.95 0.95
assign ((resid 15 and name HN )) ( (resid 15 and name HB1 )) 2.75 0.95 0.95
assign ((resid 15 and name HN )) ( (resid 15 and name HB* )) 2.56 0.77 0.77
assign ((resid 15 and name HN )) ( (resid 15 and name HG )) 2.81 1.02 1.02
assign ((resid 15 and name HN )) ( (resid 15 and name HD2* )) 2.92 1.13 1.13
assign ((resid 15 and name HN )) ( (resid 16 and name HN )) 2.64 0.85 0.85
assign ((resid 15 and name HA )) ( (resid 15 and name HD1* )) 3.49 1.70 1.70
assign ((resid 15 and name HA )) ( (resid 15 and name HD2* )) 2.89 1.10 1.10
assign ((resid 15 and name HB2 )) ( (resid 16 and name HN )) 3.62 1.82 1.82
assign ((resid 15 and name HB1 )) ( (resid 16 and name HN )) 3.62 1.82 1.82
assign ((resid 15 and name HB* )) ( (resid 16 and name HN )) 3.50 1.70 1.70
assign ((resid 15 and name HG )) ( (resid 16 and name HN )) 3.65 1.85 1.85
assign ((resid 15 and name HD1* )) ( (resid 21 and name HG* )) 3.59 1.80 1.80
assign ((resid 15 and name HD2* )) ( (resid 20 and name HE2* )) 4.60 2.80 2.80
assign ((resid 15 and name HD2* )) ( (resid 21 and name HG2 )) 3.67 1.87 1.87
assign ((resid 15 and name HD2* )) ( (resid 21 and name HG1 )) 3.67 1.87 1.87
assign ((resid 15 and name HD2* )) ( (resid 21 and name HG* )) 3.52 1.72 1.72
assign ((resid 15 and name HD2* )) ( (resid 21 and name HD2 )) 4.10 2.30 2.30
assign ((resid 15 and name HD2* )) ( (resid 21 and name HD1 )) 4.10 2.30 2.30
assign ((resid 16 and name HN )) ( (resid 16 and name HB )) 2.89 1.09 1.09
assign ((resid 16 and name HN )) ( (resid 17 and name HN )) 3.43 1.64 1.64
assign ((resid 16 and name HB )) ( (resid 17 and name HN )) 3.24 1.45 1.45
assign ((resid 17 and name HD* )) ( (resid 57 and name HN )) 4.09 2.29 2.29
assign ((resid 19 and name HN )) ( (resid 19 and name HD1 )) 3.65 1.85 1.85
assign ((resid 19 and name HN )) ( (resid 19 and name HE3 )) 3.65 1.85 1.85
assign ((resid 19 and name HN )) ( (resid 19 and name HE1 )) 3.41 1.62 1.62
assign ((resid 19 and name HA )) ( (resid 19 and name HD1 )) 3.12 1.33 1.33
assign ((resid 19 and name HA )) ( (resid 19 and name HE1 )) 3.65 1.85 1.85
assign ((resid 19 and name HA )) ( (resid 20 and name HN )) 2.59 0.80 0.80
assign ((resid 19 and name HA )) ( (resid 72 and name HG2* )) 3.68 1.89 1.89
assign ((resid 19 and name HA )) ( (resid 73 and name HA )) 2.84 1.05 1.05
assign ((resid 19 and name HB2 )) ( (resid 20 and name HN )) 2.97 1.17 1.17
assign ((resid 19 and name HB2 )) ( (resid 74 and name HG1* )) 4.15 2.35 2.35
assign ((resid 19 and name HB2 )) ( (resid 74 and name HG2* )) 4.16 2.37 2.37
assign ((resid 19 and name HB1 )) ( (resid 20 and name HN )) 2.64 0.85 0.85
assign ((resid 19 and name HB1 )) ( (resid 74 and name HG1* )) 4.16 2.37 2.37
assign ((resid 19 and name HB1 )) ( (resid 74 and name HG2* )) 4.16 2.37 2.37
assign ((resid 19 and name HD1 )) ( (resid 72 and name HB )) 2.75 0.95 0.95
assign ((resid 19 and name HD1 )) ( (resid 72 and name HG1* )) 4.16 2.37 2.37
assign ((resid 19 and name HD1 )) ( (resid 72 and name HG2* )) 4.16 2.37 2.37
assign ((resid 19 and name HE3 )) ( (resid 74 and name HG1* )) 4.16 2.37 2.37
assign ((resid 19 and name HE1 )) ( (resid 58 and name HG2* )) 3.23 1.44 1.44
assign ((resid 19 and name HE1 )) ( (resid 59 and name HB* )) 3.63 1.84 1.84
assign ((resid 19 and name HE1 )) ( (resid 72 and name HN )) 3.65 1.85 1.85
assign ((resid 19 and name HE1 )) ( (resid 72 and name HG2* )) 3.28 1.48 1.48
assign ((resid 19 and name HZ3 )) ( (resid 40 and name HD1* )) 3.91 2.12 2.12
assign ((resid 19 and name HZ3 )) ( (resid 40 and name HD2* )) 4.15 2.35 2.35
assign ((resid 19 and name HZ3 )) ( (resid 55 and name HB2 )) 3.65 1.85 1.85
assign ((resid 19 and name HZ3 )) ( (resid 55 and name HB1 )) 3.65 1.85 1.85
assign ((resid 19 and name HZ3 )) ( (resid 74 and name HG1* )) 4.16 2.37 2.37
assign ((resid 19 and name HZ2 )) ( (resid 58 and name HB )) 3.65 1.85 1.85
assign ((resid 19 and name HZ2 )) ( (resid 58 and name HG2* )) 4.16 2.37 2.37
assign ((resid 19 and name HZ2 )) ( (resid 59 and name HN )) 3.65 1.85 1.85
assign ((resid 19 and name HZ2 )) ( (resid 59 and name HA )) 3.65 1.85 1.85
assign ((resid 19 and name HZ2 )) ( (resid 59 and name HB* )) 3.43 1.64 1.64
assign ((resid 19 and name HZ2 )) ( (resid 72 and name HG2* )) 4.16 2.37 2.37
assign ((resid 19 and name HH2 )) ( (resid 40 and name HG )) 3.65 1.85 1.85
assign ((resid 19 and name HH2 )) ( (resid 40 and name HD1* )) 4.11 2.32 2.32
assign ((resid 19 and name HH2 )) ( (resid 40 and name HD2* )) 3.90 2.10 2.10
assign ((resid 19 and name HH2 )) ( (resid 55 and name HB2 )) 3.65 1.85 1.85
assign ((resid 19 and name HH2 )) ( (resid 55 and name HG* )) 4.09 2.29 2.29
assign ((resid 19 and name HH2 )) ( (resid 56 and name HA )) 3.65 1.85 1.85
assign ((resid 19 and name HH2 )) ( (resid 59 and name HN )) 3.65 1.85 1.85
assign ((resid 19 and name HH2 )) ( (resid 59 and name HB* )) 3.96 2.16 2.16
assign ((resid 20 and name HN )) ( (resid 20 and name HB2 )) 2.58 0.78 0.78
assign ((resid 20 and name HN )) ( (resid 20 and name HB1 )) 2.58 0.78 0.78
assign ((resid 20 and name HN )) ( (resid 20 and name HB* )) 2.47 0.68 0.68
assign ((resid 20 and name HN )) ( (resid 20 and name HG2 )) 3.65 1.85 1.85
assign ((resid 20 and name HN )) ( (resid 20 and name HG1 )) 3.65 1.85 1.85
assign ((resid 20 and name HN )) ( (resid 20 and name HG* )) 3.47 1.67 1.67
assign ((resid 20 and name HN )) ( (resid 73 and name HA )) 2.52 0.72 0.72
assign ((resid 20 and name HA )) ( (resid 20 and name HE2* )) 4.08 2.29 2.29
assign ((resid 20 and name HB2 )) ( (resid 30 and name HE1 )) 3.65 1.85 1.85
assign ((resid 20 and name HB2 )) ( (resid 73 and name HA )) 3.65 1.85 1.85
assign ((resid 20 and name HB2 )) ( (resid 73 and name HB* )) 4.16 2.37 2.37
assign ((resid 20 and name HB1 )) ( (resid 30 and name HE1 )) 3.65 1.85 1.85
assign ((resid 20 and name HB1 )) ( (resid 73 and name HA )) 3.65 1.85 1.85
assign ((resid 20 and name HB1 )) ( (resid 73 and name HB* )) 4.16 2.37 2.37
assign ((resid 20 and name HB* )) ( (resid 30 and name HE1 )) 3.52 1.73 1.73
assign ((resid 20 and name HG2 )) ( (resid 22 and name HG1* )) 4.16 2.37 2.37
assign ((resid 20 and name HG1 )) ( (resid 22 and name HG1* )) 4.16 2.37 2.37
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assign ((resid 103 and name HN )) ( (resid 103 and name HB* )) 2.77 0.98 0.98
assign ((resid 103 and name HN )) ( (resid 103 and name HG )) 3.65 1.85 1.85
assign ((resid 103 and name HA )) ( (resid 103 and name HD1* )) 3.01 1.22 1.22
assign ((resid 103 and name HA )) ( (resid 103 and name HD2* )) 3.79 1.99 1.99
assign ((resid 103 and name HA )) ( (resid 104 and name HN )) 2.31 0.52 0.52
assign ((resid 103 and name HA )) ( (resid 105 and name HN )) 2.90 1.11 1.11
assign ((resid 103 and name HB* )) ( (resid 104 and name HN )) 3.61 1.81 1.81
assign ((resid 103 and name HG )) ( (resid 104 and name HN )) 3.65 1.85 1.85
assign ((resid 103 and name HG )) ( (resid 105 and name HN )) 3.63 1.84 1.84
assign ((resid 103 and name HD1* )) ( (resid 104 and name HN )) 3.01 1.22 1.22
assign ((resid 103 and name HD1* )) ( (resid 104 and name HA )) 4.16 2.37 2.37
assign ((resid 103 and name HD1* )) ( (resid 105 and name HN )) 2.74 0.94 0.94
assign ((resid 103 and name HD1* )) ( (resid 105 and name HA* )) 4.60 2.81 2.81
assign ((resid 103 and name HD2* )) ( (resid 104 and name HN )) 4.16 2.37 2.37
assign ((resid 103 and name HD2* )) ( (resid 105 and name HN )) 3.94 2.15 2.15
assign ((resid 103 and name HD2* )) ( (resid 105 and name HA* )) 4.60 2.81 2.81
assign ((resid 104 and name HN )) ( (resid 104 and name HB2 )) 2.97 1.17 1.17
assign ((resid 104 and name HN )) ( (resid 104 and name HB1 )) 2.97 1.17 1.17
assign ((resid 104 and name HN )) ( (resid 104 and name HB* )) 2.76 0.97 0.97
assign ((resid 104 and name HN )) ( (resid 104 and name HG2 )) 3.65 1.85 1.85
assign ((resid 104 and name HN )) ( (resid 104 and name HG1 )) 3.65 1.85 1.85
assign ((resid 104 and name HN )) ( (resid 105 and name HN )) 2.28 0.49 0.49
assign ((resid 104 and name HA )) ( (resid 104 and name HD* )) 3.27 1.47 1.47
assign ((resid 104 and name HB2 )) ( (resid 105 and name HN )) 2.83 1.03 1.03
assign ((resid 104 and name HB2 )) ( (resid 123 and name HG2* )) 3.76 1.96 1.96
assign ((resid 104 and name HB2 )) ( (resid 123 and name HD1* )) 3.74 1.95 1.95
assign ((resid 104 and name HB1 )) ( (resid 105 and name HN )) 2.83 1.03 1.03
assign ((resid 104 and name HB1 )) ( (resid 123 and name HG2* )) 3.76 1.96 1.96
assign ((resid 104 and name HB1 )) ( (resid 123 and name HD1* )) 3.74 1.95 1.95
assign ((resid 104 and name HB* )) ( (resid 105 and name HN )) 2.71 0.92 0.92
assign ((resid 104 and name HB* )) ( (resid 123 and name HG2* )) 3.65 1.85 1.85
assign ((resid 104 and name HB* )) ( (resid 123 and name HD1* )) 3.56 1.77 1.77
assign ((resid 104 and name HG2 )) ( (resid 105 and name HN )) 3.65 1.85 1.85
assign ((resid 104 and name HG1 )) ( (resid 105 and name HN )) 3.65 1.85 1.85
assign ((resid 104 and name HG* )) ( (resid 123 and name HG2* )) 4.60 2.81 2.81
assign ((resid 104 and name HD* )) ( (resid 123 and name HG2* )) 4.60 2.81 2.81
assign ((resid 105 and name HN )) ( (resid 106 and name HN )) 3.31 1.51 1.51
assign ((resid 105 and name HN )) ( (resid 123 and name HG2* )) 3.31 1.51 1.51
assign ((resid 105 and name HA2 )) ( (resid 106 and name HN )) 2.59 0.80 0.80
assign ((resid 105 and name HA1 )) ( (resid 106 and name HN )) 2.59 0.80 0.80
assign ((resid 105 and name HA* )) ( (resid 106 and name HB* )) 4.14 2.34 2.34
assign ((resid 105 and name HA* )) ( (resid 123 and name HD1* )) 4.23 2.43 2.43
assign ((resid 106 and name HA )) ( (resid 107 and name HN )) 2.28 0.49 0.49
assign ((resid 106 and name HB* )) ( (resid 107 and name HN )) 2.74 0.94 0.94
assign ((resid 107 and name HN )) ( (resid 107 and name HB2 )) 2.55 0.75 0.75
assign ((resid 107 and name HN )) ( (resid 107 and name HB1 )) 2.64 0.85 0.85
assign ((resid 107 and name HN )) ( (resid 107 and name HD* )) 3.60 1.80 1.80
assign ((resid 107 and name HB2 )) ( (resid 107 and name HG )) 2.38 0.58 0.58
assign ((resid 107 and name HB1 )) ( (resid 107 and name HG )) 2.10 0.30 0.30
assign ((resid 107 and name HD1* )) ( (resid 116 and name HA )) 4.16 2.37 2.37
assign ((resid 107 and name HD1* )) ( (resid 120 and name HA )) 3.56 1.76 1.76
assign ((resid 107 and name HD2* )) ( (resid 116 and name HA )) 4.16 2.37 2.37
assign ((resid 107 and name HD2* )) ( (resid 120 and name HA )) 3.56 1.76 1.76
assign ((resid 107 and name HD* )) ( (resid 116 and name HA )) 3.85 2.06 2.06
assign ((resid 107 and name HD* )) ( (resid 119 and name HG )) 4.17 2.38 2.38
assign ((resid 107 and name HD* )) ( (resid 120 and name HN )) 3.58 1.79 1.79
assign ((resid 107 and name HD* )) ( (resid 120 and name HA )) 3.36 1.56 1.56
assign ((resid 107 and name HD* )) ( (resid 120 and name HB* )) 5.39 3.59 3.59
assign ((resid 110 and name HG2* )) ( (resid 110 and name HD1* )) 3.13 1.33 1.33
assign ((resid 113 and name HA )) ( (resid 113 and name HD1 )) 3.65 1.85 1.85
assign ((resid 113 and name HA )) ( (resid 113 and name HE3 )) 3.54 1.74 1.74
assign ((resid 113 and name HA )) ( (resid 113 and name HE1 )) 3.65 1.85 1.85
assign ((resid 113 and name HA )) ( (resid 116 and name HN )) 3.24 1.45 1.45
assign ((resid 113 and name HB2 )) ( (resid 114 and name HN )) 3.41 1.62 1.62
assign ((resid 113 and name HB1 )) ( (resid 114 and name HN )) 3.41 1.62 1.62
assign ((resid 113 and name HB* )) ( (resid 114 and name HN )) 3.12 1.32 1.32
assign ((resid 113 and name HD1 )) ( (resid 114 and name HN )) 3.65 1.85 1.85
assign ((resid 113 and name HD1 )) ( (resid 114 and name HB* )) 4.11 2.32 2.32
assign ((resid 113 and name HD1 )) ( (resid 115 and name HN )) 3.65 1.85 1.85
assign ((resid 113 and name HE3 )) ( (resid 114 and name HN )) 3.65 1.85 1.85
assign ((resid 113 and name HE3 )) ( (resid 116 and name HD2* )) 4.16 2.37 2.37
assign ((resid 113 and name HE1 )) ( (resid 117 and name HD2* )) 2.75 0.96 0.96
assign ((resid 113 and name HZ2 )) ( (resid 116 and name HD2* )) 3.49 1.70 1.70
assign ((resid 113 and name HZ2 )) ( (resid 117 and name HD2* )) 3.31 1.51 1.51
assign ((resid 113 and name HH2 )) ( (resid 116 and name HD2* )) 3.98 2.18 2.18
assign ((resid 114 and name HN )) ( (resid 115 and name HN )) 3.10 1.31 1.31
assign ((resid 114 and name HA )) ( (resid 117 and name HB* )) 3.28 1.49 1.49
assign ((resid 114 and name HB* )) ( (resid 115 and name HN )) 3.05 1.25 1.25
assign ((resid 114 and name HB* )) ( (resid 115 and name HG* )) 4.12 2.33 2.33
assign ((resid 115 and name HN )) ( (resid 115 and name HB2 )) 2.98 1.19 1.19
assign ((resid 115 and name HN )) ( (resid 115 and name HB1 )) 2.98 1.19 1.19
assign ((resid 115 and name HN )) ( (resid 115 and name HG* )) 3.14 1.35 1.35
assign ((resid 115 and name HN )) ( (resid 116 and name HN )) 2.39 0.60 0.60
assign ((resid 115 and name HA )) ( (resid 115 and name HG* )) 2.87 1.08 1.08
assign ((resid 115 and name HB2 )) ( (resid 116 and name HN )) 3.65 1.85 1.85
assign ((resid 115 and name HB1 )) ( (resid 116 and name HN )) 3.65 1.85 1.85
assign ((resid 115 and name HB* )) ( (resid 119 and name HD1* )) 4.60 2.81 2.81
assign ((resid 115 and name HG2 )) ( (resid 116 and name HN )) 3.65 1.85 1.85
assign ((resid 115 and name HG1 )) ( (resid 116 and name HN )) 3.65 1.85 1.85
assign ((resid 115 and name HG* )) ( (resid 116 and name HN )) 3.22 1.43 1.43
assign ((resid 116 and name HN )) ( (resid 116 and name HB2 )) 2.56 0.77 0.77
assign ((resid 116 and name HN )) ( (resid 116 and name HB1 )) 2.56 0.77 0.77
assign ((resid 116 and name HN )) ( (resid 116 and name HB* )) 2.46 0.66 0.66
assign ((resid 116 and name HN )) ( (resid 116 and name HG )) 3.24 1.45 1.45
assign ((resid 116 and name HN )) ( (resid 116 and name HD1* )) 3.54 1.75 1.75
assign ((resid 116 and name HN )) ( (resid 117 and name HN )) 2.45 0.66 0.66
assign ((resid 116 and name HN )) ( (resid 117 and name HB* )) 3.64 1.84 1.84
assign ((resid 116 and name HA )) ( (resid 116 and name HD1* )) 3.23 1.44 1.44
assign ((resid 116 and name HA )) ( (resid 116 and name HD2* )) 3.26 1.47 1.47
assign ((resid 116 and name HA )) ( (resid 119 and name HN )) 2.84 1.05 1.05
assign ((resid 116 and name HA )) ( (resid 120 and name HN )) 2.66 0.86 0.86
assign ((resid 116 and name HB2 )) ( (resid 117 and name HN )) 2.76 0.97 0.97
assign ((resid 116 and name HB1 )) ( (resid 117 and name HN )) 2.76 0.97 0.97
assign ((resid 116 and name HB* )) ( (resid 117 and name HN )) 2.60 0.80 0.80
assign ((resid 116 and name HG )) ( (resid 117 and name HN )) 3.65 1.85 1.85
assign ((resid 116 and name HD2* )) ( (resid 117 and name HN )) 4.16 2.37 2.37
assign ((resid 116 and name HD2* )) ( (resid 120 and name HB* )) 4.35 2.56 2.56
assign ((resid 116 and name HD2* )) ( (resid 120 and name HG* )) 4.60 2.81 2.81
assign ((resid 117 and name HN )) ( (resid 117 and name HB2 )) 2.69 0.89 0.89
assign ((resid 117 and name HN )) ( (resid 117 and name HB1 )) 2.69 0.89 0.89
assign ((resid 117 and name HN )) ( (resid 117 and name HB* )) 2.52 0.72 0.72
assign ((resid 117 and name HN )) ( (resid 117 and name HG )) 2.83 1.03 1.03
assign ((resid 117 and name HN )) ( (resid 117 and name HD2* )) 2.92 1.13 1.13
assign ((resid 117 and name HN )) ( (resid 118 and name HN )) 2.52 0.72 0.72
assign ((resid 117 and name HA )) ( (resid 117 and name HD1* )) 3.26 1.47 1.47
assign ((resid 117 and name HA )) ( (resid 117 and name HD2* )) 2.92 1.13 1.13
assign ((resid 117 and name HB2 )) ( (resid 118 and name HN )) 2.70 0.91 0.91
assign ((resid 117 and name HB1 )) ( (resid 118 and name HN )) 2.70 0.91 0.91
assign ((resid 117 and name HG )) ( (resid 118 and name HN )) 3.65 1.85 1.85
assign ((resid 117 and name HD1* )) ( (resid 118 and name HN )) 4.01 2.21 2.21
assign ((resid 117 and name HD2* )) ( (resid 118 and name HN )) 3.77 1.98 1.98
assign ((resid 118 and name HN )) ( (resid 118 and name HB )) 2.36 0.57 0.57
assign ((resid 118 and name HN )) ( (resid 118 and name HG2* )) 3.26 1.47 1.47
assign ((resid 118 and name HN )) ( (resid 119 and name HN )) 2.48 0.69 0.69
assign ((resid 118 and name HA )) ( (resid 121 and name HN )) 2.92 1.12 1.12
assign ((resid 118 and name HA )) ( (resid 121 and name HB* )) 2.97 1.18 1.18
assign ((resid 118 and name HB )) ( (resid 119 and name HN )) 2.53 0.74 0.74
assign ((resid 118 and name HG2* )) ( (resid 119 and name HN )) 3.45 1.65 1.65
assign ((resid 119 and name HN )) ( (resid 119 and name HB* )) 2.67 0.87 0.87
assign ((resid 119 and name HN )) ( (resid 119 and name HG )) 3.65 1.85 1.85
assign ((resid 119 and name HN )) ( (resid 119 and name HD1* )) 3.77 1.98 1.98
assign ((resid 119 and name HN )) ( (resid 119 and name HD2* )) 3.09 1.30 1.30
assign ((resid 119 and name HN )) ( (resid 120 and name HN )) 2.45 0.66 0.66
assign ((resid 119 and name HA )) ( (resid 119 and name HD1* )) 3.23 1.44 1.44
assign ((resid 119 and name HA )) ( (resid 119 and name HD2* )) 2.95 1.16 1.16
assign ((resid 119 and name HB2 )) ( (resid 120 and name HN )) 2.64 0.85 0.85
assign ((resid 119 and name HB1 )) ( (resid 120 and name HN )) 2.64 0.85 0.85
assign ((resid 119 and name HB* )) ( (resid 120 and name HN )) 2.40 0.60 0.60
assign ((resid 119 and name HG )) ( (resid 120 and name HN )) 3.65 1.85 1.85
assign ((resid 119 and name HD1* )) ( (resid 120 and name HN )) 4.16 2.37 2.37
assign ((resid 119 and name HD1* )) ( (resid 123 and name HD1* )) 3.62 1.83 1.83
assign ((resid 119 and name HD2* )) ( (resid 120 and name HN )) 4.16 2.37 2.37
assign ((resid 120 and name HN )) ( (resid 120 and name HG2 )) 3.65 1.85 1.85
assign ((resid 120 and name HN )) ( (resid 120 and name HG1 )) 3.65 1.85 1.85
assign ((resid 120 and name HN )) ( (resid 121 and name HN )) 2.55 0.75 0.75
assign ((resid 120 and name HA )) ( (resid 121 and name HN )) 2.70 0.91 0.91
assign ((resid 120 and name HA )) ( (resid 123 and name HB )) 3.01 1.22 1.22
assign ((resid 120 and name HA )) ( (resid 123 and name HG1* )) 4.09 2.29 2.29
assign ((resid 120 and name HA )) ( (resid 123 and name HD1* )) 3.49 1.70 1.70
assign ((resid 120 and name HG2 )) ( (resid 121 and name HN )) 3.65 1.85 1.85
assign ((resid 120 and name HG1 )) ( (resid 121 and name HN )) 3.65 1.85 1.85
assign ((resid 120 and name HG* )) ( (resid 121 and name HN )) 3.58 1.79 1.79
assign ((resid 121 and name HN )) ( (resid 121 and name HB2 )) 2.53 0.74 0.74
assign ((resid 121 and name HN )) ( (resid 121 and name HB1 )) 2.53 0.74 0.74
assign ((resid 121 and name HN )) ( (resid 121 and name HB* )) 2.33 0.53 0.53
assign ((resid 121 and name HN )) ( (resid 121 and name HG2 )) 3.65 1.85 1.85
assign ((resid 121 and name HN )) ( (resid 121 and name HG1 )) 3.65 1.85 1.85
assign ((resid 121 and name HN )) ( (resid 122 and name HN )) 2.45 0.66 0.66
assign ((resid 121 and name HA )) ( (resid 121 and name HD2 )) 3.65 1.85 1.85
assign ((resid 121 and name HA )) ( (resid 121 and name HD1 )) 3.65 1.85 1.85
assign ((resid 121 and name HA )) ( (resid 124 and name HN )) 2.97 1.17 1.17
assign ((resid 121 and name HA )) ( (resid 124 and name HG1* )) 4.16 2.37 2.37
assign ((resid 121 and name HA )) ( (resid 124 and name HG2* )) 3.88 2.09 2.09
assign ((resid 121 and name HB* )) ( (resid 122 and name HN )) 2.91 1.11 1.11
assign ((resid 121 and name HG2 )) ( (resid 122 and name HN )) 3.65 1.85 1.85
assign ((resid 121 and name HG1 )) ( (resid 122 and name HN )) 3.65 1.85 1.85
assign ((resid 121 and name HD2 )) ( (resid 122 and name HN )) 3.65 1.85 1.85
assign ((resid 121 and name HD1 )) ( (resid 122 and name HN )) 3.65 1.85 1.85
assign ((resid 122 and name HN )) ( (resid 122 and name HB2 )) 2.45 0.66 0.66
assign ((resid 122 and name HN )) ( (resid 122 and name HB1 )) 2.45 0.66 0.66
assign ((resid 122 and name HN )) ( (resid 122 and name HB* )) 2.27 0.48 0.48
assign ((resid 122 and name HN )) ( (resid 123 and name HN )) 2.53 0.74 0.74
assign ((resid 122 and name HB* )) ( (resid 123 and name HN )) 3.03 1.24 1.24
assign ((resid 123 and name HN )) ( (resid 123 and name HB )) 2.35 0.55 0.55
assign ((resid 123 and name HN )) ( (resid 123 and name HG12 )) 3.21 1.42 1.42
assign ((resid 123 and name HN )) ( (resid 123 and name HG11 )) 3.21 1.42 1.42
assign ((resid 123 and name HN )) ( (resid 123 and name HG1* )) 2.91 1.12 1.12
assign ((resid 123 and name HN )) ( (resid 123 and name HD1* )) 3.05 1.25 1.25
assign ((resid 123 and name HN )) ( (resid 124 and name HN )) 2.41 0.61 0.61
assign ((resid 123 and name HN )) ( (resid 124 and name HG1* )) 4.16 2.37 2.37
assign ((resid 123 and name HN )) ( (resid 124 and name HG2* )) 3.59 1.79 1.79
assign ((resid 123 and name HN )) ( (resid 125 and name HN )) 3.60 1.81 1.81
assign ((resid 123 and name HA )) ( (resid 123 and name HD1* )) 3.25 1.45 1.45
assign ((resid 123 and name HA )) ( (resid 124 and name HN )) 2.70 0.91 0.91
assign ((resid 123 and name HB )) ( (resid 124 and name HN )) 2.55 0.75 0.75
assign ((resid 123 and name HG2* )) ( (resid 124 and name HN )) 3.28 1.48 1.48
assign ((resid 123 and name HG1* )) ( (resid 124 and name HN )) 4.09 2.29 2.29
assign ((resid 124 and name HN )) ( (resid 124 and name HB )) 2.84 1.05 1.05
assign ((resid 124 and name HN )) ( (resid 124 and name HG1* )) 2.83 1.03 1.03
assign ((resid 124 and name HN )) ( (resid 124 and name HG2* )) 2.87 1.08 1.08
assign ((resid 124 and name HN )) ( (resid 125 and name HN )) 2.52 0.72 0.72
assign ((resid 124 and name HA )) ( (resid 125 and name HN )) 2.56 0.77 0.77
assign ((resid 124 and name HB )) ( (resid 125 and name HN )) 3.37 1.57 1.57
assign ((resid 124 and name HG2* )) ( (resid 125 and name HN )) 3.11 1.31 1.31
assign ((resid 125 and name HN )) ( (resid 125 and name HB2 )) 2.58 0.78 0.78
assign ((resid 125 and name HN )) ( (resid 125 and name HB1 )) 2.58 0.78 0.78
assign ((resid 125 and name HN )) ( (resid 125 and name HB* )) 2.46 0.67 0.67
assign ((resid 125 and name HN )) ( (resid 126 and name HN )) 2.64 0.85 0.85
assign ((resid 125 and name HB2 )) ( (resid 126 and name HN )) 3.46 1.67 1.67
assign ((resid 125 and name HB1 )) ( (resid 126 and name HN )) 3.46 1.67 1.67
assign ((resid 125 and name HB* )) ( (resid 126 and name HN )) 3.03 1.24 1.24
assign ((resid 126 and name HA )) ( (resid 127 and name HD2 )) 2.67 0.88 0.88
assign ((resid 126 and name HA )) ( (resid 127 and name HD1 )) 2.67 0.88 0.88
assign ((resid 126 and name HB )) ( (resid 127 and name HD* )) 4.09 2.29 2.29
assign ((resid 126 and name HG2* )) ( (resid 127 and name HD2 )) 3.87 2.07 2.07
assign ((resid 126 and name HG2* )) ( (resid 127 and name HD1 )) 3.87 2.07 2.07
assign ((resid 126 and name HG2* )) ( (resid 127 and name HD* )) 3.78 1.98 1.98
list of removed NOE constraints
93-> LEU 15 HN - LEU 15 HD1* 1.80 6.50 # NoRestrctn I [2.29 6.01] -- intra
111-> THR 16 HA - THR 16 HB 1.79 3.05 # NoRestrctn I [2.22 3.02] -- intra
436-> ARG 33 HN - ARG 33 HD* 1.80 6.38 # NoRestrctn I [2.29 6.01] -- intra
440-> ARG 33 HA - ARG 33 HB2 1.79 3.05 # NoRestrctn I [2.22 3.02] -- intra
441-> ARG 33 HA - ARG 33 HB1 1.79 3.05 # NoRestrctn I [2.22 3.02] -- intra
615-> LEU 40 HA - LEU 40 HD2* 1.80 6.28 # NoRestrctn I [2.11 5.99] -- intra
650-> LEU 41 HN - LEU 41 HD1* 1.80 6.40 # NoRestrctn I [2.29 6.01] -- intra
654-> LEU 41 HA - LEU 41 HD1* 1.79 6.53 # NoRestrctn I [2.11 5.99] -- intra
718-> ILE 58 HN - ILE 58 HD1* 1.80 6.22 # NoRestrctn I [2.29 6.01] -- intra
749-> GLU 60 HA - GLU 60 HB2 1.79 3.05 # NoRestrctn I [2.22 3.02] -- intra
766-> LEU 61 HN - LEU 61 HD1* 1.79 6.53 # NoRestrctn I [2.29 6.01] -- intra
767-> LEU 61 HN - LEU 61 HD2* 1.79 6.53 # NoRestrctn I [2.29 6.01] -- intra
807-> LEU 62 HN - LEU 62 HD1* 1.79 6.53 # NoRestrctn I [2.29 6.01] -- intra
808-> LEU 62 HN - LEU 62 HD2* 1.79 6.53 # NoRestrctn I [2.29 6.01] -- intra
811-> LEU 62 HA - LEU 62 HD1* 1.79 6.53 # NoRestrctn I [2.11 5.99] -- intra
812-> LEU 62 HA - LEU 62 HD2* 1.79 6.53 # NoRestrctn I [2.11 5.99] -- intra
844-> ARG 63 HA - ARG 63 HG* 1.80 4.02 # NoRestrctn I [2.23 4.01] -- intra
909-> PHE 68 HN - ASP 69 HA 1.80 5.44 # NoRestrctn S [2.00 3.99] -- sequential
977-> ALA 73 HB* - VAL 74 HA 1.79 6.53 # NoRestrctn S [2.00 6.01] -- sequential
981-> VAL 74 HA - ALA 75 HB* 1.79 6.09 # NoRestrctn S [2.00 6.01] -- sequential
1015-> GLU 78 HA - GLU 78 HB1 1.79 3.05 # NoRestrctn I [2.22 3.02] -- intra
1045-> GLU 81 HN - ALA 82 HB* 1.79 6.09 # NoRestrctn S [2.00 6.01] -- sequential
1094-> ASP 85 HA - ASP 85 HB2 1.79 3.05 # NoRestrctn I [2.22 3.02] -- intra
1332-> LEU 103 HN - LEU 103 HD1* 1.80 6.22 # NoRestrctn I [2.29 6.01] -- intra
1333-> LEU 103 HN - LEU 103 HD2* 1.79 6.09 # NoRestrctn I [2.29 6.01] -- intra
1390-> ILE 110 HN - ILE 110 HG1* 1.80 6.38 # NoRestrctn I [2.29 6.01] -- intra
1428-> LEU 116 HN - LEU 116 HD2* 1.79 6.03 # NoRestrctn I [2.29 6.01] -- intra
1491-> ARG 121 HN - ARG 121 HD* 1.80 6.38 # NoRestrctn I [2.29 6.01] -- intra
====== TOTAL ======: 28
table of distance constraints violations
Residual Violations greater than 0.10
14-> TRP 11 HE1 - GLN 12 HN [ 1.80 5.50] 0.07 0.09 0.09 0.09 0.13 0.03 0.09 0.05 0.09 0.08 0.04 0.08 0.10 0.04 0.11 0.06 0.11 0.12 0.10 0.12 - 20 [ 0.03 .. 0.13]
38-> GLN 12 HN - GLN 12 HB3 [ 1.79 3.39] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 - 1 [ 0.16 .. 0.16]
57-> GLN 12 HG* - THR 16 HB [ 1.80 6.38] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 - 1 [ 0.11 .. 0.11]
64-> ARG 13 HN - ARG 13 HD2 [ 1.80 5.50] 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.12]
113-> ARG 17 HD* - MET 57 HN [ 1.80 6.38] 0.09 0.00 0.01 0.02 0.00 0.00 0.02 0.00 0.11 0.12 0.02 0.10 0.00 0.07 0.06 0.11 0.07 0.00 0.00 0.00 - 12 [ 0.01 .. 0.12]
115-> TRP 19 HN - TRP 19 HE3 [ 1.80 5.50] 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 0.11 0.00 0.07 0.00 0.00 0.08 0.00 - 4 [ 0.07 .. 0.12]
116-> TRP 19 HN - TRP 19 HE1 [ 1.79 5.03] 0.00 0.04 0.07 0.06 0.01 0.00 0.07 0.03 0.09 0.06 0.02 0.09 0.16 0.00 0.01 0.00 0.09 0.03 0.00 0.08 - 15 [ 0.01 .. 0.16]
121-> TRP 19 HA - ALA 73 HA [ 1.79 3.89] 0.01 0.04 0.04 0.06 0.00 0.00 0.04 0.06 0.09 0.03 0.09 0.00 0.00 0.03 0.05 0.09 0.03 0.02 0.07 0.12 - 16 [ 0.01 .. 0.12]
147-> TRP 19 HH2 - LEU 40 HG [ 1.80 5.50] 0.10 0.07 0.11 0.07 0.03 0.03 0.07 0.06 0.05 0.04 0.07 0.06 0.02 0.10 0.08 0.08 0.00 0.08 0.11 0.15 - 19 [ 0.02 .. 0.15]
156-> GLN 20 HN - GLN 20 HB3 [ 1.80 3.36] 0.18 0.20 0.15 0.23 0.08 0.00 0.21 0.15 0.00 0.21 0.18 0.13 0.18 0.19 0.20 0.13 0.22 0.15 0.15 0.19 - 18 [ 0.08 .. 0.23]
193-> VAL 22 HA - GLU 23 HG2 [ 1.80 5.50] 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.29 .. 0.29]
236-> GLU 23 HB2 - ALA 24 HN [ 1.79 3.45] 0.00 0.00 0.05 0.00 0.02 0.03 0.00 0.02 0.02 0.00 0.12 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.02 .. 0.12]
288-> VAL 27 HA - ILE 39 HG1* [ 1.79 4.99] 0.08 0.14 0.03 0.04 0.04 0.03 0.04 0.03 0.00 0.00 0.00 0.10 0.00 0.00 0.11 0.00 0.02 0.01 0.01 0.00 - 14 [ 0.00 .. 0.14]
328-> ASP 29 HA - LYS 32 HB* [ 1.79 4.05] 0.00 0.16 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.05 .. 0.16]
430-> LYS 32 HG3 - ARG 33 HN [ 1.79 4.79] 0.00 0.00 0.00 0.00 0.20 0.00 0.15 0.59 0.38 0.33 0.08 0.00 0.11 0.00 0.46 0.19 0.24 0.33 0.00 0.23 - 12 [ 0.08 .. 0.59]
431-> LYS 32 HD* - ARG 33 HN [ 1.80 4.24] 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
434-> ARG 33 HN - ARG 33 HB3 [ 1.79 2.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
446-> ARG 33 HB2 - VAL 34 HN [ 1.79 3.55] 0.05 0.19 0.14 0.22 0.04 0.15 0.15 0.17 0.12 0.09 0.17 0.14 0.00 0.18 0.00 0.18 0.23 0.13 0.11 0.07 - 18 [ 0.04 .. 0.23]
486-> GLY 35 HN - ASP 36 HN [ 1.80 3.30] 0.14 0.05 0.11 0.09 0.00 0.12 0.07 0.11 0.11 0.09 0.12 0.09 0.10 0.08 0.10 0.14 0.09 0.05 0.15 0.07 - 19 [ 0.05 .. 0.15]
487-> GLY 35 HN - GLY 101 HN [ 1.80 4.76] 0.07 0.07 0.08 0.05 0.08 0.00 0.10 0.06 0.00 0.07 0.08 0.02 0.11 0.00 0.02 0.05 0.06 0.06 0.01 0.13 - 18 [ 0.00 .. 0.13]
495-> ASP 36 HN - ASP 36 HB3 [ 1.80 3.58] 0.20 0.19 0.20 0.16 0.00 0.17 0.19 0.14 0.18 0.20 0.15 0.20 0.19 0.17 0.20 0.19 0.15 0.00 0.15 0.17 - 18 [ 0.14 .. 0.20]
502-> ASP 36 HB2 - TRP 70 HB2 [ 1.79 6.69] 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.26 0.00 0.00 - 3 [ 0.02 .. 0.28]
652-> LEU 41 HN - ALA 94 HN [ 1.79 3.61] 0.04 0.00 0.00 0.02 0.00 0.00 0.03 0.00 0.00 0.05 0.14 0.08 0.18 0.07 0.11 0.00 0.17 0.00 0.05 0.09 - 12 [ 0.02 .. 0.18]
657-> LEU 41 HB2 - SER 42 HN [ 1.79 3.67] 0.00 0.02 0.00 0.00 0.07 0.00 0.10 0.00 0.02 0.01 0.06 0.06 0.07 0.11 0.00 0.00 0.00 0.01 0.00 0.02 - 12 [ 0.00 .. 0.11]
685-> SER 42 HB2 - SER 80 HA [ 1.80 5.50] 0.02 0.00 0.25 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.05 0.04 0.16 0.00 0.00 0.00 0.00 - 6 [ 0.02 .. 0.25]
686-> SER 42 HB3 - SER 80 HA [ 1.80 5.50] 0.06 0.00 0.00 0.04 0.00 0.00 0.22 0.00 0.05 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.08 0.00 0.02 0.04 - 9 [ 0.00 .. 0.22]
702-> VAL 56 HN - ILE 58 HB [ 1.79 5.25] 0.00 0.00 0.01 0.00 0.00 0.19 0.03 0.14 0.00 0.00 0.05 0.11 0.00 0.06 0.00 0.00 0.00 0.02 0.03 0.01 - 10 [ 0.01 .. 0.19]
704-> VAL 56 HB - MET 57 HN [ 1.79 3.49] 0.55 0.00 0.53 0.00 0.00 0.61 0.00 0.56 0.00 0.66 0.00 0.00 0.00 0.60 0.00 0.00 0.57 0.60 0.00 0.00 - 8 [ 0.53 .. 0.66]
755-> GLU 60 HB2 - GLU 60 HG2 [ 1.79 2.77] 0.23 0.23 0.23 0.23 0.00 0.23 0.00 0.21 0.00 0.00 0.24 0.23 0.00 0.24 0.00 0.00 0.24 0.24 0.00 0.00 - 11 [ 0.21 .. 0.24]
756-> GLU 60 HB2 - GLU 60 HG3 [ 1.79 2.77] 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.22 0.00 0.00 0.23 0.00 - 4 [ 0.22 .. 0.24]
760-> GLU 60 HG2 - LEU 61 HA [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.16 0.00 - 2 [ 0.04 .. 0.16]
779-> LEU 61 HB2 - LEU 62 HN [ 1.79 3.33] 0.14 0.19 0.11 0.00 0.10 0.15 0.05 0.09 0.15 0.14 0.06 0.13 0.17 0.14 0.14 0.10 0.12 0.14 0.23 0.23 - 19 [ 0.05 .. 0.23]
781-> LEU 61 HB3 - LEU 62 HN [ 1.79 2.83] 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
817-> LEU 62 HB3 - ARG 63 HN [ 1.79 3.83] 0.00 0.00 0.00 0.00 0.03 0.01 0.00 0.00 0.00 0.14 0.04 0.05 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.01 - 7 [ 0.01 .. 0.14]
847-> GLU 64 HN - GLU 64 HB2 [ 1.80 3.42] 0.00 0.00 0.21 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 0.00 0.00 0.00 0.00 - 2 [ 0.21 .. 0.22]
848-> GLU 64 HN - GLU 64 HB3 [ 1.80 3.42] 0.00 0.00 0.00 0.00 0.11 0.00 0.11 0.07 0.00 0.00 0.00 0.00 0.15 0.00 0.06 0.00 0.13 0.00 0.00 0.00 - 6 [ 0.06 .. 0.15]
907-> PHE 68 HN - PHE 68 HZ [ 1.80 5.50] 0.10 0.04 0.00 0.01 0.00 0.03 0.06 0.00 0.04 0.05 0.02 0.00 0.09 0.01 0.07 0.05 0.02 0.06 0.17 0.00 - 15 [ 0.01 .. 0.17]
919-> PHE 68 HE* - TRP 70 HH2 [ 1.80 3.70] 0.05 0.05 0.00 0.07 0.01 0.01 0.04 0.09 0.05 0.05 0.01 0.00 0.04 0.02 0.05 0.10 0.06 0.10 0.12 0.01 - 18 [ 0.01 .. 0.12]
940-> TRP 70 HB2 - GLN 71 HN [ 1.80 3.86] 0.14 0.07 0.04 0.07 0.10 0.09 0.21 0.04 0.10 0.15 0.06 0.10 0.09 0.13 0.00 0.13 0.10 0.00 0.12 0.16 - 18 [ 0.04 .. 0.21]
958-> GLN 71 HA - GLN 71 HE22 [ 1.80 5.50] 0.00 0.07 0.00 0.14 0.00 0.12 0.00 0.06 0.10 0.05 0.00 0.12 0.00 0.07 0.06 0.00 0.17 0.00 0.00 0.03 - 11 [ 0.03 .. 0.17]
1009-> GLU 78 HN - GLU 78 HB2 [ 1.79 3.33] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.23 0.00 0.00 0.21 0.20 0.00 0.00 - 4 [ 0.20 .. 0.24]
1031-> GLN 79 HB3 - SER 80 HN [ 1.80 3.86] 0.03 0.01 0.10 0.12 0.00 0.07 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.14 0.00 0.01 0.00 0.00 0.00 0.05 - 10 [ 0.00 .. 0.14]
1037-> SER 80 HA - ILE 83 HA [ 1.79 5.41] 0.05 0.05 0.18 0.07 0.10 0.00 0.06 0.00 0.03 0.02 0.02 0.08 0.00 0.00 0.09 0.00 0.10 0.00 0.06 0.00 - 13 [ 0.02 .. 0.18]
1106-> ARG 86 HN - ARG 86 HD3 [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
1126-> PHE 87 HN - ASN 88 HD22 [ 1.80 5.50] 0.05 0.06 0.07 0.02 0.11 0.08 0.04 0.03 0.05 0.04 0.12 0.14 0.06 0.02 0.12 0.07 0.04 0.05 0.06 0.00 - 20 [ 0.00 .. 0.14]
1174-> PRO 93 HB2 - ALA 94 HN [ 1.80 3.92] 0.00 0.00 0.04 0.06 0.10 0.00 0.02 0.03 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.07 0.00 0.00 - 9 [ 0.00 .. 0.10]
1179-> ALA 94 HA - LEU 107 HN [ 1.80 4.14] 0.08 0.11 0.09 0.03 0.08 0.08 0.09 0.06 0.11 0.10 0.09 0.10 0.08 0.11 0.12 0.09 0.15 0.13 0.11 0.10 - 20 [ 0.03 .. 0.15]
1198-> THR 95 HA - LEU 107 HB3 [ 1.80 5.50] 0.00 0.00 0.11 0.08 0.04 0.02 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 - 5 [ 0.02 .. 0.11]
1284-> THR 99 HN - LYS 102 HN [ 1.79 3.11] 0.01 0.00 0.00 0.02 0.02 0.08 0.14 0.10 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.05 0.09 0.00 - 10 [ 0.00 .. 0.14]
1290-> THR 99 HB - ASP 100 HN [ 1.79 3.39] 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.14 0.00 0.18 0.15 0.00 0.03 0.00 0.00 - 6 [ 0.03 .. 0.19]
1299-> ASP 100 HA - GLY 101 HN [ 1.80 2.96] 0.12 0.02 0.05 0.10 0.04 0.07 0.05 0.04 0.09 0.01 0.02 0.09 0.07 0.07 0.03 0.09 0.04 0.04 0.08 0.06 - 20 [ 0.01 .. 0.12]
1301-> ASP 100 HB2 - LYS 102 HN [ 1.80 4.32] 0.00 0.12 0.00 0.12 0.06 0.14 0.09 0.29 0.08 0.00 0.12 0.11 0.24 0.01 0.14 0.00 0.08 0.15 0.25 0.10 - 16 [ 0.01 .. 0.29]
1303-> ASP 100 HB3 - LYS 102 HN [ 1.80 4.32] 0.10 0.00 0.00 0.00 0.00 0.23 0.30 0.05 0.00 0.01 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.15 0.00 - 8 [ 0.00 .. 0.30]
1357-> ARG 104 HB2 - ILE 123 HD1* [ 1.79 5.69] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
1401-> TRP 113 HD1 - GLU 115 HN [ 1.80 5.50] 0.07 0.01 0.10 0.15 0.03 0.17 0.10 0.16 0.07 0.06 0.06 0.05 0.00 0.11 0.03 0.14 0.05 0.04 0.12 0.19 - 19 [ 0.01 .. 0.19]
1402-> TRP 113 HE3 - ALA 114 HN [ 1.80 5.50] 0.00 0.00 0.13 0.15 0.00 0.13 0.20 0.12 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.06 0.15 - 9 [ 0.04 .. 0.20]
1405-> TRP 113 HZ2 - LEU 116 HD2* [ 1.79 5.19] 0.00 0.02 0.14 0.02 0.00 0.07 0.05 0.00 0.05 0.02 0.09 0.02 0.00 0.12 0.01 0.00 0.02 0.03 0.00 0.00 - 13 [ 0.01 .. 0.14]
1434-> LEU 116 HA - MET 120 HN [ 1.80 3.52] 0.11 0.00 0.03 0.09 0.12 0.17 0.08 0.09 0.06 0.14 0.00 0.09 0.00 0.18 0.15 0.08 0.00 0.14 0.04 0.09 - 16 [ 0.03 .. 0.18]
1435-> LEU 116 HB2 - LEU 117 HN [ 1.79 3.73] 0.00 0.02 0.08 0.00 0.05 0.12 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.05 0.01 0.02 0.00 0.04 0.04 0.01 - 11 [ 0.01 .. 0.12]
1487-> ARG 121 HN - ARG 121 HB3 [ 1.79 3.27] 0.22 0.00 0.17 0.22 0.23 0.13 0.00 0.21 0.00 0.24 0.00 0.00 0.00 0.20 0.20 0.24 0.21 0.24 0.25 0.22 - 14 [ 0.13 .. 0.25]
1501-> ARG 121 HD2 - SER 122 HN [ 1.80 5.50] 0.00 0.01 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.12 0.01 0.09 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.01 .. 0.12]
1502-> ARG 121 HD3 - SER 122 HN [ 1.80 5.50] 0.04 0.00 0.00 0.06 0.05 0.04 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.05 0.04 0.09 0.02 0.08 0.13 0.03 - 12 [ 0.02 .. 0.13]
1504-> SER 122 HN - SER 122 HB3 [ 1.79 3.11] 0.00 0.37 0.37 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.36 0.00 0.00 0.00 0.00 - 5 [ 0.36 .. 0.37]
-------------------------------------------
Number of Violations greater than 0.10 12 10 18 13 10 15 13 15 8 12 10 13 18 18 13 14 15 14 19 12
-------------------------------------------
---- 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: 9 7 12 9 7 12 6 9 7 7 8 10 15 14 11 11 8 8 15 9 9.70
0.2 - 0.5 ang: 2 3 5 4 3 2 7 4 1 4 2 3 3 3 2 3 6 5 4 3 3.45
> 0.5 ang: 1 0 1 0 0 1 0 2 0 1 0 0 0 1 0 0 1 1 0 0 0.45
Total : 62 62 76 74 66 67 65 68 62 72 62 63 77 70 68 65 75 73 71 63 68.05
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 : 0.549 0.369 0.532 0.233 0.277 0.612 0.369 0.588 0.383 0.664 0.289 0.242 0.370 0.602 0.460 0.357 0.573 0.601 0.253 0.235 0.664
Max Intra Viol : 0.233 0.369 0.366 0.233 0.234 0.233 0.369 0.215 0.177 0.244 0.239 0.242 0.370 0.239 0.201 0.357 0.239 0.239 0.248 0.220 0.370
Max Seque Viol : 0.549 0.195 0.532 0.221 0.204 0.612 0.210 0.588 0.383 0.664 0.289 0.141 0.169 0.602 0.460 0.185 0.573 0.601 0.231 0.235 0.664
Max Medium Viol : 0.110 0.165 0.183 0.154 0.120 0.231 0.300 0.288 0.079 0.145 0.122 0.113 0.236 0.175 0.152 0.138 0.103 0.150 0.253 0.186 0.300
Max Long Viol : 0.098 0.140 0.253 0.081 0.277 0.085 0.220 0.218 0.114 0.117 0.135 0.101 0.178 0.112 0.119 0.164 0.166 0.260 0.108 0.153 0.277
Average Violation : 0.003 0.002 0.004 0.003 0.002 0.003 0.003 0.004 0.002 0.003 0.002 0.003 0.003 0.003 0.003 0.003 0.003 0.003 0.003 0.003 0.00299
Avge Intra Viol : 0.003 0.004 0.005 0.004 0.002 0.002 0.004 0.003 0.002 0.003 0.002 0.004 0.005 0.004 0.003 0.004 0.004 0.003 0.004 0.003 0.00342
Avge Seque Viol : 0.001 0.001 0.002 0.002 0.001 0.003 0.002 0.003 0.001 0.001 0.001 0.002 0.002 0.002 0.001 0.001 0.001 0.002 0.003 0.001 0.00166
Avge Mediu Viol : 0.008 0.005 0.010 0.008 0.006 0.010 0.007 0.011 0.008 0.011 0.008 0.007 0.007 0.010 0.008 0.008 0.010 0.010 0.008 0.007 0.00835
Avge Long Viol : 0.002 0.001 0.002 0.001 0.002 0.001 0.002 0.002 0.002 0.001 0.001 0.001 0.002 0.002 0.002 0.002 0.002 0.002 0.001 0.002 0.00160
RMS Violation : 0.022 0.018 0.025 0.019 0.015 0.024 0.022 0.028 0.016 0.025 0.017 0.018 0.021 0.024 0.020 0.020 0.024 0.025 0.020 0.018 0.02118
RMS Intra : 0.023 0.027 0.030 0.024 0.015 0.018 0.028 0.021 0.013 0.022 0.018 0.025 0.030 0.025 0.019 0.029 0.027 0.022 0.024 0.019 0.02355
RMS Sequential : 0.009 0.011 0.013 0.013 0.009 0.021 0.019 0.020 0.007 0.009 0.009 0.012 0.014 0.013 0.012 0.010 0.009 0.012 0.019 0.012 0.01324
RMS Medium range : 0.045 0.024 0.045 0.031 0.025 0.050 0.029 0.060 0.035 0.057 0.031 0.025 0.025 0.049 0.040 0.030 0.050 0.052 0.030 0.031 0.03989
RMS Long range : 0.011 0.010 0.016 0.008 0.014 0.006 0.013 0.012 0.010 0.010 0.011 0.010 0.013 0.011 0.012 0.012 0.013 0.014 0.009 0.013 0.01157
Final --global-- Summary for 20 models, 1541 NOEs/model, 30820 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 92.048
Summ sq. viol : 13.824
Maximum viol : 0.664
Average viol : 0.00299
RMSD viol : 0.02118
Std. Dev. viol : 0.02097
RMS Intra : 0.02355
RMS Seque : 0.01324
RMS Medi : 0.03989
RMS Long : 0.01157
table of dihedral angle constraints violations
22-> [ALA A 9] PSI -55.0 -29.0 0.4 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.7 0.0 0.0 - 4 [ 0.0 .. 2.3]
24-> [LEU A 10] PSI -51.0 -29.0 1.0 0.0 0.0 0.0 1.1 0.0 0.0 1.0 1.3 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.3 1.3 0.6 - 9 [ 0.0 .. 1.8]
25-> [TRP A 11] PHI -85.0 -49.0 0.2 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 1.5 0.7 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 1.5]
30-> [ARG A 13] PSI -59.0 -29.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.5 0.0 0.0 2.6 0.0 0.0 - 4 [ 0.0 .. 2.6]
34-> [LEU A 15] PSI -49.0 -27.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.2 0.0 0.0 - 3 [ 0.0 .. 1.2]
36-> [THR A 16] PSI -57.0 -27.0 0.0 1.4 0.0 1.2 0.0 0.0 1.7 0.8 0.4 1.3 1.7 1.2 0.0 0.0 0.0 0.0 0.9 2.1 0.2 0.0 - 11 [ 0.0 .. 2.1]
50-> [VAL A 22] PSI 155.0 -145.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.0]
66-> [ASP A 29] PSI -51.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.7]
72-> [LYS A 32] PSI -61.0 -21.0 0.0 0.4 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.1]
73-> [ARG A 33] PHI -80.0 -48.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.4 0.0 0.0 1.6 0.0 1.7 0.0 0.2 0.0 0.8 1.5 0.0 - 8 [ 0.0 .. 1.7]
74-> [ARG A 33] PSI -44.0 -20.0 1.1 2.4 1.7 3.3 0.3 2.2 2.5 2.2 2.6 0.1 2.1 2.6 0.0 4.3 1.6 3.2 3.5 1.9 2.3 0.5 - 19 [ 0.0 .. 4.3]
104-> [PRO A 45] PSI 45.0 15.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 2.6 0.0 0.0 - 3 [ 0.0 .. 3.1]
132-> [PRO A 55] PSI 45.0 15.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 1.4 0.0 0.1 0.0 3.0 0.0 0.0 0.0 0.0 0.0 1.6 0.3 0.0 - 6 [ 0.0 .. 3.0]
136-> [VAL A 56] PSI 75.0 35.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.1]
140-> [ILE A 58] PHI -81.0 -53.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 1.6 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.6]
145-> [GLU A 60] PSI -53.0 -31.0 1.7 3.0 1.1 2.8 2.8 3.4 0.0 1.6 2.4 1.1 0.1 0.7 1.9 1.8 0.6 0.0 0.9 2.1 1.8 1.9 - 18 [ 0.0 .. 3.4]
147-> [LEU A 61] PSI -57.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.4 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.9]
160-> [PRO A 66] PSI 45.0 15.0 0.0 2.1 0.0 1.7 1.1 1.2 0.0 1.7 1.5 1.9 0.0 0.0 0.0 1.7 0.0 0.4 0.0 2.8 3.7 2.1 - 12 [ 0.0 .. 3.7]
189-> [ASP A 76] PSI -105.0 -145.0 0.0 0.0 0.0 0.0 0.3 1.3 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 2.4]
194-> [GLU A 78] PHI -77.0 -53.0 0.1 1.0 0.0 0.0 0.0 0.0 1.0 2.7 0.0 0.0 0.5 0.0 1.7 0.1 0.0 0.0 0.0 0.0 0.3 0.0 - 8 [ 0.0 .. 2.7]
195-> [GLU A 78] PSI -53.0 -33.0 0.8 0.0 0.0 1.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 1.8 0.0 0.1 - 6 [ 0.0 .. 1.8]
197-> [GLN A 79] PSI -51.0 -25.0 0.0 0.3 0.7 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.6]
198-> [SER A 80] PHI -79.0 -51.0 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 0.0 1.3 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.4]
207-> [GLY A 84] PSI -51.0 -29.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.7 0.0 1.1 0.0 0.0 0.0 - 2 [ 0.0 .. 1.1]
237-> [LEU A 96] PHI -117.0 -93.0 1.9 1.8 2.0 1.1 0.0 1.9 1.1 1.3 1.7 0.7 1.5 1.7 1.8 1.6 2.0 2.5 2.1 1.0 2.5 1.5 - 19 [ 0.0 .. 2.5]
238-> [LEU A 96] PSI 125.0 159.0 0.2 0.0 0.0 0.0 0.2 0.6 0.8 0.0 1.1 0.4 0.5 0.9 0.7 0.0 1.3 0.7 1.3 0.3 0.9 0.6 - 15 [ 0.0 .. 1.3]
246-> [THR A 99] PSI 125.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.2 0.0 0.0 - 1 [ 0.0 .. 3.2]
254-> [LYS A 102] PSI 145.0 -125.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.9 0.8 0.2 0.0 - 7 [ 0.0 .. 2.7]
290-> [LEU A 117] PHI -71.0 -51.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.2]
295-> [LEU A 119] PSI -49.0 -35.0 1.7 0.7 0.0 0.0 0.8 0.5 0.0 2.3 1.8 0.6 1.6 0.8 0.9 0.0 1.1 0.7 0.2 0.8 0.7 0.9 - 16 [ 0.0 .. 2.3]
301-> [SER A 122] PSI -53.0 -31.0 0.3 0.3 0.0 0.0 0.7 1.4 0.1 0.8 1.1 0.6 0.2 1.3 1.2 0.1 0.4 0.8 1.6 0.0 0.0 0.0 - 15 [ 0.0 .. 1.6]
314-> [PRO A 127] PSI -95.0 -155.0 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 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.4]
352-> [ALA A 9] PSI -55.0 -29.0 0.4 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.7 0.0 0.0 - 4 [ 0.0 .. 2.3]
354-> [LEU A 10] PSI -51.0 -29.0 1.0 0.0 0.0 0.0 1.1 0.0 0.0 1.0 1.3 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.3 1.3 0.6 - 9 [ 0.0 .. 1.8]
355-> [TRP A 11] PHI -85.0 -49.0 0.2 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 1.5 0.7 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 1.5]
360-> [ARG A 13] PSI -59.0 -29.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.5 0.0 0.0 2.6 0.0 0.0 - 4 [ 0.0 .. 2.6]
364-> [LEU A 15] PSI -49.0 -27.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.2 0.0 0.0 - 3 [ 0.0 .. 1.2]
366-> [THR A 16] PSI -57.0 -27.0 0.0 1.4 0.0 1.2 0.0 0.0 1.7 0.8 0.4 1.3 1.7 1.2 0.0 0.0 0.0 0.0 0.9 2.1 0.2 0.0 - 11 [ 0.0 .. 2.1]
380-> [VAL A 22] PSI 155.0 -145.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.0]
396-> [ASP A 29] PSI -51.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.7]
402-> [LYS A 32] PSI -61.0 -21.0 0.0 0.4 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.1]
403-> [ARG A 33] PHI -80.0 -48.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.4 0.0 0.0 1.6 0.0 1.7 0.0 0.2 0.0 0.8 1.5 0.0 - 8 [ 0.0 .. 1.7]
404-> [ARG A 33] PSI -44.0 -20.0 1.1 2.4 1.7 3.3 0.3 2.2 2.5 2.2 2.6 0.1 2.1 2.6 0.0 4.3 1.6 3.2 3.5 1.9 2.3 0.5 - 19 [ 0.0 .. 4.3]
434-> [PRO A 45] PSI 45.0 15.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 2.6 0.0 0.0 - 3 [ 0.0 .. 3.1]
462-> [PRO A 55] PSI 45.0 15.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 1.4 0.0 0.1 0.0 3.0 0.0 0.0 0.0 0.0 0.0 1.6 0.3 0.0 - 6 [ 0.0 .. 3.0]
466-> [VAL A 56] PSI 115.0 5.0 0.0 0.0 0.0 0.0 0.0 41.1 0.0 36.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 41.1]
470-> [ILE A 58] PHI -81.0 -53.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 1.6 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.6]
475-> [GLU A 60] PSI -53.0 -31.0 1.7 3.0 1.1 2.8 2.8 3.4 0.0 1.6 2.4 1.1 0.1 0.7 1.9 1.8 0.6 0.0 0.9 2.1 1.8 1.9 - 18 [ 0.0 .. 3.4]
477-> [LEU A 61] PSI -57.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.4 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.9]
490-> [PRO A 66] PSI 45.0 15.0 0.0 2.1 0.0 1.7 1.1 1.2 0.0 1.7 1.5 1.9 0.0 0.0 0.0 1.7 0.0 0.4 0.0 2.8 3.7 2.1 - 12 [ 0.0 .. 3.7]
519-> [ASP A 76] PSI -105.0 -145.0 0.0 0.0 0.0 0.0 0.3 1.3 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 2.4]
524-> [GLU A 78] PHI -77.0 -53.0 0.1 1.0 0.0 0.0 0.0 0.0 1.0 2.7 0.0 0.0 0.5 0.0 1.7 0.1 0.0 0.0 0.0 0.0 0.3 0.0 - 8 [ 0.0 .. 2.7]
525-> [GLU A 78] PSI -53.0 -33.0 0.8 0.0 0.0 1.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 1.8 0.0 0.1 - 6 [ 0.0 .. 1.8]
527-> [GLN A 79] PSI -51.0 -25.0 0.0 0.3 0.7 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.6]
528-> [SER A 80] PHI -79.0 -51.0 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 0.0 1.3 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.4]
537-> [GLY A 84] PSI -51.0 -29.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.7 0.0 1.1 0.0 0.0 0.0 - 2 [ 0.0 .. 1.1]
567-> [LEU A 96] PHI -117.0 -93.0 1.9 1.8 2.0 1.1 0.0 1.9 1.1 1.3 1.7 0.7 1.5 1.7 1.8 1.6 2.0 2.5 2.1 1.0 2.5 1.5 - 19 [ 0.0 .. 2.5]
568-> [LEU A 96] PSI 125.0 159.0 0.2 0.0 0.0 0.0 0.2 0.6 0.8 0.0 1.1 0.4 0.5 0.9 0.7 0.0 1.3 0.7 1.3 0.3 0.9 0.6 - 15 [ 0.0 .. 1.3]
576-> [THR A 99] PSI 125.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.2 0.0 0.0 - 1 [ 0.0 .. 3.2]
584-> [LYS A 102] PSI 145.0 -125.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.9 0.8 0.2 0.0 - 7 [ 0.0 .. 2.7]
620-> [LEU A 117] PHI -71.0 -51.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.2]
625-> [LEU A 119] PSI -49.0 -35.0 1.7 0.7 0.0 0.0 0.8 0.5 0.0 2.3 1.8 0.6 1.6 0.8 0.9 0.0 1.1 0.7 0.2 0.8 0.7 0.9 - 16 [ 0.0 .. 2.3]
631-> [SER A 122] PSI -53.0 -31.0 0.3 0.3 0.0 0.0 0.7 1.4 0.1 0.8 1.1 0.6 0.2 1.3 1.2 0.1 0.4 0.8 1.6 0.0 0.0 0.0 - 15 [ 0.0 .. 1.6]
644-> [PRO A 127] PSI -95.0 -155.0 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 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.4]
---- 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 : 10 16 8 14 8 21 10 16 18 10 12 12 12 14 12 4 12 22 12 6 12.45
> 10. degrees : 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0.10
Total : 38 28 16 24 24 38 16 31 30 32 26 30 28 26 22 18 26 44 28 24 27.45
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 : 1.9 3.0 2.0 3.3 2.8 41.1 2.7 36.0 2.6 2.4 2.1 3.0 2.3 4.3 2.0 3.2 3.5 3.2 3.7 2.1 41.10
Max PHI Viol : 1.9 1.8 2.0 1.1 0.7 1.9 1.1 2.7 1.7 0.7 1.5 1.7 1.8 1.7 2.0 2.5 2.1 1.0 2.5 1.5 2.74
Max PSI Viol : 1.7 3.0 1.7 3.3 2.8 41.1 2.7 36.0 2.6 2.4 2.1 3.0 2.3 4.3 1.6 3.2 3.5 3.2 3.7 2.1 41.10
Average Violation : 0.0 0.1 0.0 0.0 0.0 0.1 0.0 0.1 0.1 0.0 0.0 0.1 0.0 0.1 0.0 0.0 0.1 0.1 0.1 0.0 0.052
Avge PHI Viol : 0.155 0.130 0.150 0.075 0.080 0.135 0.103 0.166 0.149 0.087 0.161 0.161 0.153 0.143 0.132 0.128 0.124 0.141 0.149 0.112 0.134
Avge PSI Viol : 0.273 0.334 0.173 0.305 0.262 0.528 0.251 0.478 0.303 0.285 0.227 0.300 0.280 0.334 0.245 0.209 0.326 0.433 0.309 0.235 0.316
RMS Violation : 0.230 0.327 0.188 0.283 0.213 1.634 0.246 1.433 0.289 0.222 0.224 0.295 0.264 0.362 0.215 0.237 0.329 0.414 0.325 0.202 0.552
RMS PHI Viol : 0.189 0.154 0.185 0.078 0.063 0.158 0.105 0.223 0.170 0.063 0.178 0.184 0.187 0.175 0.175 0.184 0.160 0.124 0.212 0.125 0.161
RMS PSI Viol : 0.278 0.476 0.191 0.432 0.325 2.547 0.363 2.225 0.404 0.339 0.276 0.404 0.347 0.525 0.263 0.298 0.477 0.629 0.440 0.277 0.842
Final --global-- Summary for 20 models, 660 ACOs/model, 13200 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 681.11
Summ. Sq. Viol. : 4027.73
Max. Viol. : 41.104
Avg. Viol. : 0.05160
RMS Viol. : 0.55239
Std. Dev. Viol. : 0.54997
JPEG image for inter-residue distance constraints per residue plot
S(phi)|S(psi) V/S Residue number
Text output from PDBStat of phi psi order
# CHAIN .GT. SUM.GT.
# RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6
# -----------------------------------------------------------------------------------
MET A 1 0.245 0.323 0.576 0.285
ALA A 2 0.397 0.375
ASN A 3 0.442 0.343 0.195 0.311
ASP A 4 0.394 0.389 0.556 0.442
THR A 5 0.077 0.869 0.495
PRO A 6 0.978 0.293 0.940 0.899
PHE A 7 0.347 0.171 0.349 0.276
SER A 8 0.376 0.472 0.246
ALA A 9 0.994 0.990 9 9
LEU A 10 0.996 0.988 0.532 0.517 10 10
TRP A 11 0.985 0.998 0.998 0.988 11 11
GLN A 12 0.997 0.995 0.935 0.996 0.496 12 12
ARG A 13 0.997 0.997 0.378 0.346 0.405 0.845 0.999 13 13
LEU A 14 0.998 0.996 0.982 0.412 14 14
LEU A 15 0.997 0.994 0.998 1.000 15 15
THR A 16 0.998 0.997 0.866 16 16
ARG A 17 0.996 0.865 0.822 0.949 0.370 0.690 0.998 17
GLY A 18 0.857 0.602
TRP A 19 0.598 0.988 0.998 0.968
GLN A 20 0.990 0.993 0.905 0.868 0.284 20 20
PRO A 21 0.998 0.990 0.962 0.907 21 21
VAL A 22 0.986 0.989 0.999 22 22
GLU A 23 0.986 0.990 0.954 0.973 0.246 23 23
ALA A 24 0.991 0.981 24 24
SER A 25 0.987 0.926 0.293 25 25
THR A 26 0.909 0.977 0.385 26 26
VAL A 27 0.999 0.994 0.998 27 27
ASP A 28 0.996 0.984 0.511 0.513 28 28
ASP A 29 0.997 0.998 0.996 0.609 29 29
TRP A 30 0.998 0.999 0.997 0.999 30 30
ILE A 31 1.000 0.998 0.999 0.999 31 31
LYS A 32 0.996 0.994 0.669 0.355 0.535 0.430 32 32
ARG A 33 0.997 0.999 0.968 0.642 0.816 0.587 0.998 33 33
VAL A 34 0.995 0.998 0.999 34 34
GLY A 35 0.996 0.989 35 35
ASP A 36 0.994 0.981 0.844 0.839 36 36
GLY A 37 0.972 0.996 37 37
VAL A 38 0.999 0.997 0.999 38 38
ILE A 39 0.997 0.997 0.997 0.952 39 39
LEU A 40 0.993 0.995 0.995 0.925 40 40
LEU A 41 0.991 0.980 0.994 0.999 41 41
SER A 42 0.975 0.346 0.731
SER A 43 0.421 0.352 0.456
ASP A 44 0.361 0.724 0.572 0.387
PRO A 45 0.983 0.366 0.962 0.914
ARG A 46 0.590 0.215 0.363 0.740 0.501 0.753 0.999
ARG A 47 0.598 0.101 0.393 0.451 0.468 0.817 0.997
THR A 48 0.119 0.692 0.422
PRO A 49 0.985 0.161 0.961 0.911
GLU A 50 0.217 0.183 0.455 0.460 0.210
VAL A 51 0.328 0.328 0.201
SER A 52 0.372 0.198 0.260
ASP A 53 0.631 0.298 0.119 0.276
ASN A 54 0.287 0.880 0.657 0.394
PRO A 55 0.982 0.692 0.935 0.877
VAL A 56 0.833 0.275 0.286
MET A 57 0.278 0.971 0.503 0.658 0.263
ILE A 58 0.991 0.994 0.909 0.812 58 58
ALA A 59 0.995 0.990 59 59
GLU A 60 0.997 0.999 0.653 0.488 0.229 60 60
LEU A 61 0.995 0.997 0.961 0.776 61 61
LEU A 62 0.996 0.988 0.648 0.047 62 62
ARG A 63 0.996 0.984 0.456 0.926 0.467 0.757 0.998 63 63
GLU A 64 0.997 0.991 0.629 0.370 0.371 64 64
PHE A 65 0.996 0.987 0.994 0.989 65 65
PRO A 66 0.998 0.949 0.971 0.938 66 66
GLN A 67 0.939 0.985 0.843 0.425 0.326 67 67
PHE A 68 0.964 0.890 0.937 0.807 68
ASP A 69 0.885 0.988 0.991 0.832 69
TRP A 70 0.991 0.995 0.995 0.980 70 70
GLN A 71 0.981 0.980 0.976 0.491 0.310 71 71
VAL A 72 0.991 0.994 1.000 72 72
ALA A 73 0.994 0.994 73 73
VAL A 74 0.995 0.978 0.943 74 74
ALA A 75 0.944 0.702
ASP A 76 0.701 0.516 0.446 0.811
LEU A 77 0.633 0.964 0.691 0.669
GLU A 78 0.991 0.991 0.693 0.351 0.484 78 78
GLN A 79 0.995 0.992 0.813 0.313 0.370 79 79
SER A 80 0.996 0.994 0.688 80 80
GLU A 81 0.997 0.997 0.989 0.475 0.348 81 81
ALA A 82 0.996 0.996 82 82
ILE A 83 0.999 0.996 0.999 0.999 83 83
GLY A 84 0.999 0.995 84 84
ASP A 85 0.995 0.996 0.994 0.423 85 85
ARG A 86 0.998 0.998 0.990 0.634 0.920 0.857 0.998 86 86
PHE A 87 0.991 0.996 0.998 0.981 87 87
ASN A 88 0.997 0.978 0.993 0.749 88 88
VAL A 89 0.948 0.317 0.620
ARG A 90 0.034 0.259 0.320 0.389 0.282 0.660 0.997
ARG A 91 0.457 0.371 0.570 0.588 0.195 0.765 0.999
PHE A 92 0.469 0.961 0.514 0.698
PRO A 93 0.994 0.876 0.957 0.873 93
ALA A 94 0.903 0.983 94 94
THR A 95 0.983 0.997 0.999 95 95
LEU A 96 1.000 1.000 0.999 0.999 96 96
VAL A 97 0.999 0.996 1.000 97 97
PHE A 98 0.996 0.996 0.999 0.900 98 98
THR A 99 0.995 0.990 0.839 99 99
ASP A 100 0.998 0.998 0.410 0.542 100 100
GLY A 101 0.988 0.983 101 101
LYS A 102 0.983 0.986 0.707 0.642 0.679 0.101 102 102
LEU A 103 0.995 0.989 0.999 0.999 103 103
ARG A 104 0.987 0.992 0.934 0.831 0.073 0.772 0.997 104 104
GLY A 105 0.977 0.990 105 105
ALA A 106 0.973 0.985 106 106
LEU A 107 0.962 0.766 0.889 0.851
SER A 108 0.738 0.738 0.534
GLY A 109 0.481 0.641
ILE A 110 0.886 0.275 0.353 0.616
HIS A 111 0.613 0.402 0.673 0.370
PRO A 112 0.988 0.327 0.936 0.857
TRP A 113 0.401 0.542 0.972 0.972
ALA A 114 0.449 0.949
GLU A 115 0.982 0.992 0.639 0.482 0.234 115 115
LEU A 116 0.998 0.998 0.957 0.995 116 116
LEU A 117 0.998 0.993 0.985 0.504 117 117
THR A 118 0.986 0.997 0.997 118 118
LEU A 119 0.997 0.999 0.825 0.921 119 119
MET A 120 0.996 0.994 0.476 0.484 0.789 120 120
ARG A 121 0.997 0.998 0.830 0.847 0.985 0.729 0.999 121 121
SER A 122 0.996 0.999 0.665 122 122
ILE A 123 0.990 0.998 0.998 0.650 123 123
VAL A 124 0.990 0.972 0.999 124 124
ASP A 125 0.989 0.957 0.993 0.890 125 125
THR A 126 0.290 0.917 0.384
PRO A 127 0.992 0.170 0.946 0.877
ALA A 128 0.501 0.191
ALA A 129 0.579 0.258
GLN A 130 0.391 0.334 0.295 0.441 0.124
GLU A 131 0.378 0.640 0.550 0.474 0.276
THR A 132 0.525 0.318 0.306
VAL A 133 0.702 0.544 0.275
GLN A 134 0.366 0.588 0.298 0.449 0.429
LEU A 135 0.656 0.631 0.420 0.250
GLU A 136 0.689 0.582 0.378 0.498 0.355
HIS A 137 0.591 0.457 0.547 0.271
HIS A 138 0.563 0.566 0.481 0.283
HIS A 139 0.660 0.634 0.349 0.324
HIS A 140 0.742 0.590 0.429 0.303
HIS A 141 0.837 0.272 0.554 0.282
HIS A 142 0.850 0.325 0.267
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 `STR70_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 1 is: 0.886
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 2 is: 0.590
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 3 is: 0.658
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 4 is: 0.827
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 5 is: 0.710
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 6 is: 0.684
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 7 is: 0.423 (*)
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 8 is: 0.581
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 9 is: 0.714
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 10 is: 0.734
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 11 is: 0.919
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 12 is: 0.630
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 13 is: 0.720
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 14 is: 0.750
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 15 is: 0.841
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 16 is: 0.920
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 17 is: 0.778
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 18 is: 0.701
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 19 is: 0.788
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 20 is: 0.722
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[9..16],[20..41],[58..67],[70..74],[78..88],[94..106],[115..125], is: 0.729
> Range of RMSD values to reference struct. is 0.423 to 0.920
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 1 is: 1.212
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 2 is: 1.045
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 3 is: 1.149
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 4 is: 1.216
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 5 is: 1.082
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 6 is: 1.011
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 7 is: 1.000 (*)
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 8 is: 1.032
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 9 is: 1.142
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 10 is: 1.241
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 11 is: 1.257
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 12 is: 1.059
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 13 is: 1.150
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 14 is: 1.116
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 15 is: 1.122
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 16 is: 1.330
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 17 is: 1.206
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 18 is: 1.096
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 19 is: 1.161
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..67],A[70..74],A[78..88],A[94..106],A[115..125],for model 20 is: 1.179
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[9..16],[20..41],[58..67],[70..74],[78..88],[94..106],[115..125], is: 1.140
> Range of RMSD values to reference struct. is 1.000 to 1.330
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..142],for model 1 is: 5.496
> Kabsch RMSD of backb atoms in res. *[1..142],for model 2 is: 4.578
> Kabsch RMSD of backb atoms in res. *[1..142],for model 3 is: 7.310
> Kabsch RMSD of backb atoms in res. *[1..142],for model 4 is: 5.625
> Kabsch RMSD of backb atoms in res. *[1..142],for model 5 is: 4.057
> Kabsch RMSD of backb atoms in res. *[1..142],for model 6 is: 6.204
> Kabsch RMSD of backb atoms in res. *[1..142],for model 7 is: 2.961 (*)
> Kabsch RMSD of backb atoms in res. *[1..142],for model 8 is: 4.002
> Kabsch RMSD of backb atoms in res. *[1..142],for model 9 is: 6.281
> Kabsch RMSD of backb atoms in res. *[1..142],for model 10 is: 2.985
> Kabsch RMSD of backb atoms in res. *[1..142],for model 11 is: 4.330
> Kabsch RMSD of backb atoms in res. *[1..142],for model 12 is: 5.704
> Kabsch RMSD of backb atoms in res. *[1..142],for model 13 is: 6.407
> Kabsch RMSD of backb atoms in res. *[1..142],for model 14 is: 5.536
> Kabsch RMSD of backb atoms in res. *[1..142],for model 15 is: 7.005
> Kabsch RMSD of backb atoms in res. *[1..142],for model 16 is: 6.717
> Kabsch RMSD of backb atoms in res. *[1..142],for model 17 is: 5.168
> Kabsch RMSD of backb atoms in res. *[1..142],for model 18 is: 4.081
> Kabsch RMSD of backb atoms in res. *[1..142],for model 19 is: 7.099
> Kabsch RMSD of backb atoms in res. *[1..142],for model 20 is: 5.430
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..142], is: 5.349
> Range of RMSD values to reference struct. is 2.961 to 7.310
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 1 is: 5.944
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 2 is: 5.227
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 3 is: 8.204
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 4 is: 6.299
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 5 is: 4.672
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 6 is: 6.984
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 7 is: 3.542 (*)
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 8 is: 4.728
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 9 is: 7.032
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 10 is: 3.616
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 11 is: 4.864
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 12 is: 6.608
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 13 is: 7.201
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 14 is: 6.188
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 15 is: 7.538
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 16 is: 7.492
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 17 is: 5.789
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 18 is: 4.565
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 19 is: 7.930
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 20 is: 6.178
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..142], is: 6.030
> Range of RMSD values to reference struct. is 3.542 to 8.204
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 5.3 0.7 0.7
All heavy atoms 6.0 1.1 1.1
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 >>>----------+
| |
| STR70_NMR_em_bcr3_020.rin 0.0 1680 residues |
| |
+| Ramachandran plot: 93.5% core 6.4% allow 0.1% gener 0.0% disall |
| |
+| All Ramachandrans: 21 labelled residues (out of1680) |
+| Chi1-chi2 plots: 29 labelled residues (out of1060) |
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
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
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
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
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
9 0.59
10 0.73
11 -0.27
12 0.43
13 0.74
14 0.82
15 0.75
16 0.36
17 -0.36
20 -0.29
21 -2.05
22 -1.15
23 -1.76
24 0.21
25 -0.80
26 -0.33
27 0.69
28 0.95
29 1.07
30 1.03
31 0.82
32 0.66
33 0.16
34 -0.64
35 -1.94
36 -1.02
37 -0.42
38 0.10
39 0.36
40 -0.10
41 -1.06
58 -0.54
59 0.39
60 0.75
61 0.55
62 0.38
63 -0.80
64 -0.35
65 -1.34
66 -2.62
67 -0.86
68 -1.03
69 -0.57
70 -0.23
71 -0.42
72 0.24
73 -0.89
74 -0.04
78 0.22
79 0.82
80 0.88
81 0.85
82 0.57
83 0.91
84 1.05
85 0.95
86 0.98
87 -0.44
88 0.06
93 -1.12
94 -0.81
95 0.03
96 -0.17
97 -0.54
98 0.04
99 -0.76
100 -1.11
101 0.96
102 -0.42
103 -0.33
104 -0.95
105 -0.66
106 -1.11
115 0.26
116 0.81
117 0.71
118 0.70
119 0.84
120 0.69
121 0.98
122 1.01
123 0.27
124 -3.07
125 0.49
#Reported_Model_Average -0.066
#Overall_Average_Reported -0.066
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
9 0.59
10 -0.06
11 -0.05
12 0.49
13 0.12
14 -0.03
15 0.72
16 0.20
17 -0.04
20 -0.63
21 -2.05
22 -0.78
23 -0.52
24 0.21
25 -0.60
26 -0.43
27 -0.15
28 -0.14
29 0.16
30 0.87
31 0.85
32 -0.78
33 -0.20
34 -0.54
35 -1.94
36 -0.78
37 -0.42
38 -0.31
39 -1.08
40 0.29
41 -0.12
58 -0.86
59 0.39
60 0.00
61 -0.90
62 -0.27
63 -0.29
64 -0.60
65 -1.15
66 -2.62
67 -0.16
68 -1.72
69 -0.55
70 -0.83
71 -0.60
72 -0.04
73 -0.89
74 -0.32
78 -0.02
79 0.02
80 0.38
81 0.41
82 0.57
83 0.78
84 1.05
85 -0.03
86 0.42
87 -0.25
88 -0.30
93 -1.12
94 -0.81
95 -0.09
96 -0.89
97 -0.20
98 -0.20
99 -0.55
100 -1.25
101 0.96
102 -0.12
103 0.08
104 -0.57
105 -0.66
106 -1.11
115 0.09
116 -0.22
117 0.05
118 0.23
119 -0.49
120 0.25
121 0.61
122 0.42
123 0.35
124 -1.72
125 -0.12
#Reported_Model_Average -0.269
#Overall_Average_Reported -0.269
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
9 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44
10 -1.37 -1.37 -0.46 -0.46 -1.37 -1.37 -0.46 -1.37 -0.46 -1.37 -1.37 -1.37 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.30 -1.37
11 1.01 1.01 1.01 0.86 1.01 1.01 1.01 1.01 1.01 1.01 0.86 1.01 1.01 1.01 1.01 1.01 0.86 1.01 1.01 1.01
12 -0.32 0.29 0.62 0.62 0.62 -0.32 0.62 0.29 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 0.62 0.29 0.29 0.62 0.62
13 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
14 0.16 0.71 1.30 0.71 0.71 0.71 0.71 -0.46 1.30 0.71 0.16 0.71 1.30 0.71 -0.30 1.30 0.71 0.16 1.30 1.30
15 0.16 0.71 0.16 0.71 0.16 0.16 0.71 0.71 0.16 0.16 0.16 0.71 -0.30 0.16 -0.30 0.16 0.71 0.71 0.16 -0.30
16 -0.20 -0.20 -0.13 -0.20 -0.20 -0.20 -0.13 -0.20 -0.20 -0.13 -0.20 -0.20 -0.13 -0.20 -0.20 -0.13 -0.20 -0.20 -0.20 -0.13
17 0.56 1.10 0.56 0.56 1.10 0.56 0.56 0.56 1.10 1.10 1.10 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56
20 0.10 0.10 -0.12 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
21 -0.65 -0.65 -0.65 -0.65 -0.65 -0.86 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65
22 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
23 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.46
24 0.49 0.49 0.49 0.14 0.49 0.49 0.49 0.49 0.49 0.49 0.14 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.14
25 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
26 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
27 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
28 0.29 0.29 0.44 0.29 0.44 0.29 0.29 0.44 0.44 0.44 0.29 0.29 0.29 0.29 0.29 0.29 0.29 -0.28 0.29 0.44
29 0.29 0.29 0.44 0.29 0.29 0.29 -0.28 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.44 0.44 -0.28 0.29 0.44
30 1.01 1.01 1.11 1.01 1.01 1.01 1.11 1.11 1.11 1.01 1.11 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.11 1.01
31 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
32 0.56 0.66 0.07 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.66
33 -0.20 0.56 -0.20 0.56 -0.20 -0.20 0.56 -0.20 -0.20 0.56 0.56 -0.20 -0.20 -0.20 0.56 -0.20 0.56 -0.20 -0.20 0.56
34 0.41 0.41 0.41 -0.29 0.41 -0.29 0.41 -0.29 0.41 0.41 -0.29 -0.29 0.41 0.41 0.41 0.41 -0.29 0.41 0.41 0.41
35 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
36 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
37 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
38 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
39 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
40 1.07 1.07 1.07 0.36 1.07 1.07 0.36 1.07 1.07 1.07 0.36 0.36 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
41 0.77 0.77 0.77 0.29 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 1.06 0.77 1.06 0.77 1.06 0.77 0.77 0.77
58 1.11 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 -0.06 0.55
59 0.44 0.76 -0.02 0.44 -0.02 -0.02 -0.02 -0.02 0.44 -0.02 0.44 -0.02 0.44 0.44 -0.02 0.44 0.44 -0.02 0.44 -0.02
60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62
61 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
62 -0.30 1.30 1.30 -0.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.16 1.30 1.30 0.16 1.30 1.30 1.30 0.71
63 0.56 -0.20 -0.20 0.56 0.56 -0.20 0.56 -0.20 0.56 0.56 -0.20 -0.20 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 0.56
64 0.62 0.62 0.62 -0.43 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 -0.43 -0.43
65 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.04 1.04 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.04 1.40 1.40
66 0.44 0.44 0.25 0.44 0.44 0.25 0.44 0.44 0.44 0.25 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
67 -0.03 -0.03 0.25 0.25 0.25 0.25 0.25 -0.03 -0.57 -0.03 -0.57 0.25 -0.57 0.25 0.25 0.25 -0.03 -0.03 -0.57 -0.57
68 0.71 0.71 0.71 0.71 -0.84 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.04 0.71 -0.84 1.04 0.71
69 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51
70 0.96 1.62 0.96 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 0.96 1.62 1.62 1.62 1.62 0.96 1.62 0.96 0.96
71 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.52 0.52 0.10 0.10 0.10 0.10 0.52 0.10 0.10 0.10
72 1.18 1.18 0.44 1.18 0.71 0.71 0.71 0.44 0.44 1.18 0.71 0.71 1.18 1.18 1.18 1.18 1.18 0.71 0.71 1.18
73 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
74 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
78 0.04 0.04 0.04 0.04 0.28 0.04 0.28 0.28 0.04 0.28 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28
79 0.16 0.16 0.16 0.16 0.16 0.16 0.62 0.16 0.16 0.62 -0.32 0.16 0.62 -0.32 0.16 0.62 0.16 0.16 -0.32 0.16
80 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
81 0.62 0.60 0.60 0.60 0.62 0.62 0.60 0.60 0.62 0.60 0.62 0.62 0.62 0.60 0.62 0.62 0.60 0.62 0.62 0.62
82 0.44 0.44 0.44 0.44 -0.02 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
83 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
84 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
85 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.29 0.29 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44
86 0.56 1.10 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56
87 1.40 1.40 1.40 1.40 1.04 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
88 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.51 0.41 0.41 0.41
93 0.44 0.64 0.44 0.44 0.44 0.64 0.44 0.64 0.64 0.44 0.44 0.64 0.64 0.64 0.64 0.44 0.64 -0.11 0.44 -0.11
94 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49
95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
96 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
97 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
98 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 1.32 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
99 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
100 0.51 0.23 0.23 0.51 0.34 0.51 0.34 0.51 0.23 0.51 0.51 0.51 0.51 0.34 0.23 0.51 0.23 0.23 0.51 0.51
101 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 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 0.55 0.35 0.55 0.55 0.55 0.55 0.55 0.55 -1.54 0.35 0.35 0.55 -1.54 0.55 0.55 0.55 0.55 0.55 0.55 0.55
103 0.14 0.36 -0.81 -1.33 0.36 0.36 0.36 0.36 0.14 0.14 -0.81 0.36 -0.81 -0.81 -1.33 -1.33 0.36 0.36 -0.81 0.36
104 0.84 -0.41 0.84 0.84 -0.41 0.84 0.84 0.84 0.84 -0.41 0.84 0.84 0.84 0.84 0.84 0.84 0.84 -0.41 0.84 0.19
105 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
106 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
115 0.62 -0.43 0.62 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.62 0.60 0.09 0.62 0.62 -0.43
116 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
117 0.16 -0.30 -0.46 0.71 0.71 0.16 -0.30 -0.46 -0.30 -0.46 -0.46 -0.46 0.16 0.71 0.16 -0.46 -0.46 0.16 -0.46 -0.30
118 -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
119 -0.30 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.46
120 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
121 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
122 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
123 -0.02 -0.59 -0.02 -0.02 -0.06 0.55 -0.02 -0.06 -0.02 0.55 -0.02 0.55 -0.02 -0.02 -0.02 0.55 0.55 -0.59 -0.02 -0.02
124 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 0.66 -0.09 -0.09 -0.09 1.00 1.00
125 0.23 0.51 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23
#Reported_Model_Average 0.574 0.604 0.579 0.574 0.587 0.580 0.625 0.578 0.589 0.615 0.567 0.560 0.584 0.616 0.601 0.608 0.613 0.535 0.560 0.551
#Overall_Average_Reported 0.585
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
9 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44
10 -1.37 -1.37 -0.46 -0.46 -1.37 -1.37 -0.46 -1.37 -0.46 -1.37 -1.37 -1.37 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.30 -1.37
11 1.01 1.01 1.01 0.86 1.01 1.01 1.01 1.01 1.01 1.01 0.86 1.01 1.01 1.01 1.01 1.01 0.86 1.01 1.01 1.01
12 -0.32 0.29 0.62 0.62 0.62 -0.32 0.62 0.29 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 0.62 0.29 0.29 0.62 0.62
13 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
14 0.16 0.71 1.30 0.71 0.71 0.71 0.71 -0.46 1.30 0.71 0.16 0.71 1.30 0.71 -0.30 1.30 0.71 0.16 1.30 1.30
15 0.16 0.71 0.16 0.71 0.16 0.16 0.71 0.71 0.16 0.16 0.16 0.71 -0.30 0.16 -0.30 0.16 0.71 0.71 0.16 -0.30
16 -0.20 -0.20 -0.13 -0.20 -0.20 -0.20 -0.13 -0.20 -0.20 -0.13 -0.20 -0.20 -0.13 -0.20 -0.20 -0.13 -0.20 -0.20 -0.20 -0.13
17 0.56 1.10 0.56 0.56 1.10 0.56 0.56 0.56 1.10 1.10 1.10 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56
20 0.10 0.10 -0.12 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
21 -0.65 -0.65 -0.65 -0.65 -0.65 -0.86 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65 -0.65
22 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
23 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.46
24 0.49 0.49 0.49 0.14 0.49 0.49 0.49 0.49 0.49 0.49 0.14 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.14
25 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
26 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
27 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
28 0.29 0.29 0.44 0.29 0.44 0.29 0.29 0.44 0.44 0.44 0.29 0.29 0.29 0.29 0.29 0.29 0.29 -0.28 0.29 0.44
29 0.29 0.29 0.44 0.29 0.29 0.29 -0.28 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.44 0.44 -0.28 0.29 0.44
30 1.01 1.01 1.11 1.01 1.01 1.01 1.11 1.11 1.11 1.01 1.11 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.11 1.01
31 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
32 0.56 0.66 0.07 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.66
33 -0.20 0.56 -0.20 0.56 -0.20 -0.20 0.56 -0.20 -0.20 0.56 0.56 -0.20 -0.20 -0.20 0.56 -0.20 0.56 -0.20 -0.20 0.56
34 0.41 0.41 0.41 -0.29 0.41 -0.29 0.41 -0.29 0.41 0.41 -0.29 -0.29 0.41 0.41 0.41 0.41 -0.29 0.41 0.41 0.41
35 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
36 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
37 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
38 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
39 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
40 1.07 1.07 1.07 0.36 1.07 1.07 0.36 1.07 1.07 1.07 0.36 0.36 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
41 0.77 0.77 0.77 0.29 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 1.06 0.77 1.06 0.77 1.06 0.77 0.77 0.77
58 1.11 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 -0.06 0.55
59 0.44 0.76 -0.02 0.44 -0.02 -0.02 -0.02 -0.02 0.44 -0.02 0.44 -0.02 0.44 0.44 -0.02 0.44 0.44 -0.02 0.44 -0.02
60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62
61 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
62 -0.30 1.30 1.30 -0.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.16 1.30 1.30 0.16 1.30 1.30 1.30 0.71
63 0.56 -0.20 -0.20 0.56 0.56 -0.20 0.56 -0.20 0.56 0.56 -0.20 -0.20 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 0.56
64 0.62 0.62 0.62 -0.43 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 -0.43 -0.43
65 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.04 1.04 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.04 1.40 1.40
66 0.44 0.44 0.25 0.44 0.44 0.25 0.44 0.44 0.44 0.25 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
67 -0.03 -0.03 0.25 0.25 0.25 0.25 0.25 -0.03 -0.57 -0.03 -0.57 0.25 -0.57 0.25 0.25 0.25 -0.03 -0.03 -0.57 -0.57
68 0.71 0.71 0.71 0.71 -0.84 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.04 0.71 -0.84 1.04 0.71
69 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51
70 0.96 1.62 0.96 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 0.96 1.62 1.62 1.62 1.62 0.96 1.62 0.96 0.96
71 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.52 0.52 0.10 0.10 0.10 0.10 0.52 0.10 0.10 0.10
72 1.18 1.18 0.44 1.18 0.71 0.71 0.71 0.44 0.44 1.18 0.71 0.71 1.18 1.18 1.18 1.18 1.18 0.71 0.71 1.18
73 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
74 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
78 0.04 0.04 0.04 0.04 0.28 0.04 0.28 0.28 0.04 0.28 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28
79 0.16 0.16 0.16 0.16 0.16 0.16 0.62 0.16 0.16 0.62 -0.32 0.16 0.62 -0.32 0.16 0.62 0.16 0.16 -0.32 0.16
80 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
81 0.62 0.60 0.60 0.60 0.62 0.62 0.60 0.60 0.62 0.60 0.62 0.62 0.62 0.60 0.62 0.62 0.60 0.62 0.62 0.62
82 0.44 0.44 0.44 0.44 -0.02 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
83 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
84 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
85 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.29 0.29 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44
86 0.56 1.10 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56
87 1.40 1.40 1.40 1.40 1.04 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
88 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.51 0.41 0.41 0.41
93 0.44 0.64 0.44 0.44 0.44 0.64 0.44 0.64 0.64 0.44 0.44 0.64 0.64 0.64 0.64 0.44 0.64 -0.11 0.44 -0.11
94 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49
95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
96 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
97 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
98 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 1.32 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
99 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
100 0.51 0.23 0.23 0.51 0.34 0.51 0.34 0.51 0.23 0.51 0.51 0.51 0.51 0.34 0.23 0.51 0.23 0.23 0.51 0.51
101 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 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 0.55 0.35 0.55 0.55 0.55 0.55 0.55 0.55 -1.54 0.35 0.35 0.55 -1.54 0.55 0.55 0.55 0.55 0.55 0.55 0.55
103 0.14 0.36 -0.81 -1.33 0.36 0.36 0.36 0.36 0.14 0.14 -0.81 0.36 -0.81 -0.81 -1.33 -1.33 0.36 0.36 -0.81 0.36
104 0.84 -0.41 0.84 0.84 -0.41 0.84 0.84 0.84 0.84 -0.41 0.84 0.84 0.84 0.84 0.84 0.84 0.84 -0.41 0.84 0.19
105 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
106 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
115 0.62 -0.43 0.62 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.62 0.60 0.09 0.62 0.62 -0.43
116 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
117 0.16 -0.30 -0.46 0.71 0.71 0.16 -0.30 -0.46 -0.30 -0.46 -0.46 -0.46 0.16 0.71 0.16 -0.46 -0.46 0.16 -0.46 -0.30
118 -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
119 -0.30 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.46
120 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
121 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
122 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
123 -0.02 -0.59 -0.02 -0.02 -0.06 0.55 -0.02 -0.06 -0.02 0.55 -0.02 0.55 -0.02 -0.02 -0.02 0.55 0.55 -0.59 -0.02 -0.02
124 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 0.66 -0.09 -0.09 -0.09 1.00 1.00
125 0.23 0.51 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23
#Reported_Model_Average 0.574 0.604 0.579 0.574 0.587 0.580 0.625 0.578 0.589 0.615 0.567 0.560 0.584 0.616 0.601 0.608 0.613 0.535 0.560 0.551
#Overall_Average_Reported 0.585
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
9.000 0 0 0 0 0 0 1 0 0 1 0 0 1 0 1 0 0 0 1 0
10.000 5 1 0 1 1 1 4 4 3 1 0 0 4 1 1 2 1 0 1 1
11.000 4 0 2 1 1 2 0 0 1 2 0 0 0 0 1 2 0 1 1 0
12.000 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0
13.000 2 2 0 2 2 2 1 1 2 1 2 1 0 1 2 4 3 1 1 0
14.000 1 1 0 1 1 1 0 3 2 2 2 2 1 1 2 0 2 0 0 3
15.000 0 2 1 0 0 2 1 0 3 0 1 0 0 1 1 0 0 1 1 0
16.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
17.000 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0
20.000 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 2 0 0 0
21.000 1 2 1 0 2 1 3 0 2 0 0 1 2 1 1 1 1 0 1 1
22.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1
23.000 3 4 1 1 3 2 0 1 2 0 0 2 1 0 2 0 2 4 1 2
24.000 1 0 0 0 0 0 1 2 0 1 0 0 0 1 0 0 0 0 0 0
25.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
26.000 1 3 0 1 1 1 0 0 2 0 0 2 1 0 0 0 2 1 0 1
27.000 2 2 2 1 1 2 1 3 0 1 0 1 0 1 1 1 0 2 2 1
28.000 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0
29.000 1 1 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 1 0
30.000 0 1 1 1 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0
31.000 2 1 1 1 1 3 2 1 0 2 0 1 1 1 1 2 0 1 1 2
32.000 1 1 0 0 0 0 5 0 0 2 0 0 0 2 2 2 0 0 3 0
33.000 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 4 0 2
34.000 1 1 3 1 1 0 0 0 0 0 1 0 2 0 0 2 0 1 1 0
35.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
36.000 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0
37.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
38.000 3 0 3 0 0 0 1 1 1 0 1 2 2 3 0 4 0 1 2 0
39.000 2 1 3 0 2 2 1 3 4 2 0 1 2 3 0 1 2 2 1 1
40.000 0 2 3 1 1 1 3 2 0 0 1 1 2 2 2 1 1 3 1 6
41.000 1 1 0 0 0 0 0 6 0 0 0 0 1 0 2 0 4 0 0 0
58.000 0 1 2 0 2 2 1 0 0 0 0 2 1 1 2 3 1 2 0 2
59.000 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 1 0 0
60.000 4 1 0 1 2 1 0 1 0 2 0 0 0 1 3 1 1 3 1 1
61.000 1 2 2 0 1 2 1 2 2 1 1 3 2 2 2 0 0 2 1 1
62.000 2 0 4 2 0 2 0 2 0 1 0 1 0 0 0 3 1 0 0 1
63.000 3 0 0 0 1 1 0 2 0 0 0 0 0 0 2 1 1 3 1 1
64.000 2 0 1 0 2 1 1 1 0 0 0 2 5 1 2 0 0 2 0 0
65.000 1 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0
66.000 0 0 1 0 2 0 1 0 0 0 0 1 1 1 2 1 0 0 0 0
67.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0
68.000 1 1 1 2 1 1 1 2 0 2 0 0 1 0 1 4 1 2 2 0
69.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
70.000 1 1 1 2 1 1 1 2 0 2 0 0 1 1 1 5 1 7 2 0
71.000 1 0 2 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0
72.000 2 0 0 0 0 0 0 0 0 1 1 0 2 1 0 3 0 0 1 0
73.000 0 0 0 0 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1
74.000 0 2 0 2 2 0 2 1 0 0 1 2 3 1 2 0 2 1 0 4
78.000 0 0 3 0 0 0 0 0 1 0 0 2 0 0 0 0 0 0 0 1
79.000 2 2 2 1 3 1 1 4 0 4 1 1 2 3 2 1 1 4 0 4
80.000 1 1 2 0 0 0 2 1 0 0 0 0 0 0 1 2 1 0 0 0
81.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
82.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
83.000 2 0 2 0 1 1 2 0 0 3 0 0 2 2 1 0 1 2 0 0
84.000 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
85.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
86.000 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 1 0 0 0
87.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 2 0 0
88.000 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 2 0 0 0
93.000 1 1 0 1 0 1 0 0 1 0 1 1 0 1 4 2 3 1 1 1
94.000 1 3 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 1 0 0
95.000 1 0 4 2 2 0 1 2 1 0 0 2 1 1 0 0 1 1 3 2
96.000 1 2 2 0 0 2 1 5 2 1 2 1 1 2 0 3 1 2 3 1
97.000 0 1 0 0 1 0 0 1 0 1 1 0 1 0 0 0 2 1 0 0
98.000 2 1 0 0 1 4 2 1 1 1 1 0 3 1 0 0 0 0 0 3
99.000 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0
100.000 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0
101.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
102.000 0 3 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0
103.000 1 2 0 0 0 2 1 2 2 1 2 0 1 1 0 0 0 2 0 1
104.000 1 1 1 0 5 2 4 0 0 0 0 0 7 0 2 5 0 5 7 1
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 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 1 1 0 0
115.000 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 2 0 2 0
116.000 3 1 4 2 1 2 4 1 5 0 4 0 0 5 3 2 1 1 0 6
117.000 0 0 0 0 0 1 1 0 1 0 0 2 3 2 0 0 0 2 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 1 0 1 1 0 2 2 1 0 0 1 3 0 1 1 0 0 0 0 1
120.000 2 0 1 0 1 2 1 0 1 1 3 2 1 1 2 0 0 0 1 0
121.000 0 1 0 1 0 0 1 1 1 3 0 0 1 0 0 0 0 3 0 1
122.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
123.000 1 0 2 1 1 1 1 1 0 1 1 2 2 1 1 0 2 1 1 2
124.000 1 2 1 1 2 1 0 1 0 1 0 0 0 0 0 0 0 1 1 1
125.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.940 0.679 0.726 0.393 0.702 0.679 0.714 0.940 0.524 0.560 0.417 0.524 0.798 0.631 0.679 0.726 0.571 0.917 0.595 0.714
#Overall_Average_Reported 0.671
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 93 PRO 2HB :A 43 SER HA : -0.930: 0
: 2242:A 13 ARG 2HG :A 14 LEU 2HD2 : -0.740: 0
: 2242:A 10 LEU H :A 10 LEU 2HD1 : -0.430: 0
: 2242:A 10 LEU N :A 10 LEU 2HD1 : -0.422: 0
: 2242:A 13 ARG 1HG :A 10 LEU O : -0.403: 0
: 2242:A 72 VAL HB :A 19 TRP CD1 : -0.739: 0
: 2242:A 38 VAL HB :A 95 THR CG2 : -0.506: 0
: 2242:A 72 VAL 3HG1 :A 38 VAL 3HG2 : -0.432: 0
: 2242:A 38 VAL HA :A 96 LEU O : -0.404: 0
: 2242:A 110 ILE 2HG1 :A 119 LEU HG : -0.720: 0
: 2242:A 110 ILE 1HG2 :A 116 LEU HA : -0.438: 0
: 2242:A 116 LEU O :A 116 LEU 3HD2 : -0.400: 0
: 2242:A 60 GLU HA :A 63 ARG 1HG : -0.687: 0
: 2242:A 113 TRP CH2 :A 60 GLU 2HG : -0.428: 0
: 2242:A 63 ARG 1HG :A 60 GLU CA : -0.427: 0
: 2242:A 113 TRP HH2 :A 61 LEU CA : -0.417: 0
: 2242:A 60 GLU HA :A 63 ARG CG : -0.410: 0
: 2242:A 79 GLN 1HB :A 75 ALA O : -0.612: 0
: 2242:A 23 GLU 1HB :A 26 THR 2HG2 : -0.528: 0
: 2242:A 23 GLU O :A 27 VAL HB : -0.488: 0
: 2242:A 75 ALA 1HB :A 83 ILE 2HD1 : -0.476: 0
: 2242:A 31 ILE 2HG1 :A 27 VAL O : -0.469: 0
: 2242:A 98 PHE CZ :A 103 LEU 3HD1 : -0.469: 0
: 2242:A 23 GLU HA :A 79 GLN 2HG : -0.447: 0
: 2242:A 31 ILE 3HD1 :A 98 PHE CZ : -0.421: 0
: 2242:A 24 ALA HA :A 83 ILE CG1 : -0.409: 0
: 2242:A 48 THR CB :A 49 PRO 2HD : -0.595: 0
: 2242:A 49 PRO 2HD :A 48 THR HB : -0.566: 0
: 2242:A 77 LEU H :A 76 ASP CG : -0.580: 0
: 2242:A 11 TRP CZ3 :A 76 ASP HA : -0.494: 0
: 2242:A 11 TRP HZ3 :A 76 ASP HA : -0.479: 0
: 2242:A 6 PRO HA :A 11 TRP CD1 : -0.408: 0
: 2242:A 11 TRP HZ2 :A 21 PRO 2HB : -0.405: 0
: 2242:A 77 LEU N :A 77 LEU 2HD1 : -0.404: 0
: 2242:A 91 ARG 1HD :A 81 GLU 2HG : -0.548: 0
: 2242:A 70 TRP CZ2 :A 68 PHE HD2 : -0.543: 0
: 2242:A 130 GLN 2HB :A 100 ASP O : -0.537: 0
: 2242:A 101 GLY 2HA :A 130 GLN NE2 : -0.476: 0
: 2242:A 33 ARG O :A 33 ARG 2HD : -0.536: 0
: 2242:A 33 ARG 2HD :A 33 ARG C : -0.471: 0
: 2242:A 94 ALA 3HB :A 89 VAL 1HG2 : -0.520: 0
: 2242:A 84 GLY 1HA :A 89 VAL 2HG1 : -0.499: 0
: 2242:A 84 GLY CA :A 89 VAL 2HG1 : -0.478: 0
: 2242:A 71 GLN OE1 :A 34 VAL HB : -0.518: 0
: 2242:A 104 ARG 2HB :A 123 ILE 2HG2 : -0.517: 0
: 2242:A 120 MET O :A 124 VAL 2HG2 : -0.516: 0
: 2242:A 65 PHE HE2 :A 120 MET SD : -0.504: 0
: 2242:A 112 PRO 2HD :A 111 HIS 2HB : -0.510: 0
: 2242:A 80 SER HA :A 41 LEU 2HD2 : -0.477: 0
: 2242:A 44 ASP CG :A 54 ASN H : -0.464: 0
: 2242:A 53 ASP O :A 54 ASN 1HB : -0.404: 0
: 2242:A 54 ASN N :A 54 ASN 2HD2 : -0.402: 0
: 2242:A 64 GLU HA :A 64 GLU OE1 : -0.416: 0
: 2242:A 127 PRO 2HD :A 126 THR HA : -0.413: 0
: 2242:A 47 ARG NE :A 47 ARG HA : -0.408: 0
: 2242:A 39 ILE 2HD1 :A 39 ILE N : -0.407: 0
: 2242:A 62 LEU C :A 62 LEU 3HD2 : -0.405: 0
: 2242:A 46 ARG 1HH1 :A 46 ARG 1HD : -0.404: 0
: 2242:A 32 LYS 2HD :A 29 ASP O : -0.404: 0
#sum2 ::26.32 clashscore : 26.32 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251293 potential dots:15710.0 A^2:59 bumps:59 bumps B<40:392.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 94 ALA HA :A 108 SER HA : -0.840: 0
: 2242:A 94 ALA 1HB :A 106 ALA 1HB : -0.478: 0
: 2242:A 94 ALA H :A 41 LEU 2HD1 : -0.406: 0
: 2242:A 26 THR 1HG2 :A 1 MET HA : -0.670: 0
: 2242:A 23 GLU 1HB :A 26 THR 2HG2 : -0.558: 0
: 2242:A 79 GLN 1HG :A 23 GLU HA : -0.553: 0
: 2242:A 76 ASP 2HB :A 79 GLN OE1 : -0.540: 0
: 2242:A 23 GLU O :A 27 VAL HB : -0.494: 0
: 2242:A 31 ILE 2HG1 :A 27 VAL O : -0.409: 0
: 2242:A 23 GLU H :A 26 THR CG2 : -0.401: 0
: 2242:A 56 VAL 2HG2 :A 14 LEU 1HD1 : -0.657: 0
: 2242:A 89 VAL 1HG2 :A 96 LEU 1HD1 : -0.621: 0
: 2242:A 39 ILE HB :A 96 LEU 1HB : -0.481: 0
: 2242:A 61 LEU 1HD2 :A 116 LEU 2HD2 : -0.607: 0
: 2242:A 61 LEU 3HD2 :A 113 TRP CH2 : -0.480: 0
: 2242:A 13 ARG 1HG :A 10 LEU O : -0.599: 0
: 2242:A 13 ARG O :A 16 THR 2HG2 : -0.492: 0
: 2242:A 32 LYS 2HE :A 29 ASP HA : -0.567: 0
: 2242:A 15 LEU HA :A 19 TRP 1HB : -0.557: 0
: 2242:A 121 ARG HA :A 124 VAL 2HG2 : -0.557: 0
: 2242:A 15 LEU 2HD2 :A 21 PRO 2HD : -0.535: 0
: 2242:A 74 VAL O :A 21 PRO HA : -0.505: 0
: 2242:A 74 VAL 2HG1 :A 40 LEU 1HB : -0.482: 0
: 2242:A 40 LEU 1HD1 :A 58 ILE 1HG2 : -0.481: 0
: 2242:A 97 VAL CG1 :A 124 VAL 2HG1 : -0.435: 0
: 2242:A 93 PRO 1HD :A 92 PHE 2HB : -0.545: 0
: 2242:A 135 LEU 3HD1 :A 136 GLU N : -0.522: 0
: 2242:A 139 HIS HA :A 136 GLU 2HB : -0.491: 0
: 2242:A 135 LEU 2HD2 :A 135 LEU HA : -0.401: 0
: 2242:A 131 GLU OE1 :A 102 LYS 2HG : -0.521: 0
: 2242:A 102 LYS 2HD :A 103 LEU N : -0.463: 0
: 2242:A 103 LEU 1HB :A 98 PHE CE1 : -0.439: 0
: 2242:A 102 LYS 2HB :A 104 ARG CZ : -0.401: 0
: 2242:A 77 LEU H :A 77 LEU 2HD1 : -0.506: 0
: 2242:A 90 ARG 1HG :A 91 ARG H : -0.454: 0
: 2242:A 91 ARG 1HB :A 90 ARG O : -0.411: 0
: 2242:A 75 ALA 1HB :A 80 SER HA : -0.437: 0
: 2242:A 70 TRP CE2 :A 68 PHE HD2 : -0.425: 0
: 2242:A 57 MET O :A 60 GLU 1HG : -0.420: 0
: 2242:A 107 LEU 2HD2 :A 107 LEU HA : -0.414: 0
: 2242:A 30 TRP O :A 34 VAL 2HG2 : -0.413: 0
#sum2 ::18.29 clashscore : 18.29 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251369 potential dots:15710.0 A^2:41 bumps:41 bumps B<40:412.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 95 THR HB :A 107 LEU 3HD2 : -0.733: 0
: 2242:A 40 LEU 1HD1 :A 58 ILE 1HG2 : -0.643: 0
: 2242:A 40 LEU 3HD1 :A 55 PRO 2HB : -0.549: 0
: 2242:A 55 PRO O :A 58 ILE 2HG2 : -0.487: 0
: 2242:A 106 ALA HA :A 95 THR O : -0.483: 0
: 2242:A 40 LEU 3HD2 :A 95 THR 3HG2 : -0.478: 0
: 2242:A 55 PRO O :A 19 TRP HH2 : -0.452: 0
: 2242:A 95 THR HB :A 107 LEU 1HB : -0.445: 0
: 2242:A 116 LEU 2HD2 :A 61 LEU 1HD1 : -0.697: 0
: 2242:A 116 LEU 3HD2 :A 116 LEU C : -0.462: 0
: 2242:A 116 LEU CD2 :A 61 LEU 1HD2 : -0.450: 0
: 2242:A 78 GLU N :A 77 LEU HG : -0.598: 0
: 2242:A 6 PRO 2HB :A 77 LEU 3HD1 : -0.595: 0
: 2242:A 77 LEU 2HD1 :A 3 ASN O : -0.482: 0
: 2242:A 77 LEU HG :A 78 GLU H : -0.446: 0
: 2242:A 78 GLU N :A 77 LEU CG : -0.414: 0
: 2242:A 76 ASP HA :A 11 TRP CH2 : -0.571: 0
: 2242:A 76 ASP 2HB :A 79 GLN OE1 : -0.507: 0
: 2242:A 76 ASP HA :A 11 TRP CZ2 : -0.497: 0
: 2242:A 75 ALA CB :A 83 ILE 2HD1 : -0.489: 0
: 2242:A 83 ILE 2HG1 :A 79 GLN O : -0.476: 0
: 2242:A 80 SER CB :A 42 SER 1HB : -0.555: 0
: 2242:A 42 SER 1HB :A 80 SER 1HB : -0.537: 0
: 2242:A 120 MET O :A 124 VAL 2HG2 : -0.541: 0
: 2242:A 64 GLU O :A 66 PRO 2HD : -0.529: 0
: 2242:A 56 VAL 3HG2 :A 57 MET 2HG : -0.515: 0
: 2242:A 23 GLU O :A 27 VAL HB : -0.514: 0
: 2242:A 31 ILE 2HG1 :A 27 VAL O : -0.487: 0
: 2242:A 30 TRP O :A 34 VAL 2HG2 : -0.513: 0
: 2242:A 34 VAL CG1 :A 71 GLN 2HG : -0.497: 0
: 2242:A 34 VAL HB :A 71 GLN 2HG : -0.468: 0
: 2242:A 90 ARG 1HB :A 89 VAL O : -0.490: 0
: 2242:A 119 LEU O :A 123 ILE 2HG1 : -0.480: 0
: 2242:A 104 ARG 2HB :A 123 ILE 2HG2 : -0.418: 0
: 2242:A 15 LEU 2HD2 :A 21 PRO 2HD : -0.479: 0
: 2242:A 113 TRP O :A 114 ALA 2HB : -0.464: 0
: 2242:A 39 ILE HB :A 96 LEU 1HB : -0.448: 0
: 2242:A 62 LEU 3HD1 :A 62 LEU O : -0.443: 0
: 2242:A 62 LEU HG :A 38 VAL 1HG2 : -0.430: 0
: 2242:A 39 ILE 2HD1 :A 39 ILE N : -0.425: 0
: 2242:A 38 VAL HA :A 96 LEU O : -0.424: 0
: 2242:A 62 LEU 1HD2 :A 38 VAL 1HG1 : -0.422: 0
: 2242:A 68 PHE HE2 :A 70 TRP CZ2 : -0.437: 0
#sum2 ::19.18 clashscore : 19.18 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251051 potential dots:15690.0 A^2:43 bumps:43 bumps B<40:467 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 43 SER 1HB :A 93 PRO 2HB : -0.823: 0
: 2242:A 95 THR HB :A 107 LEU 3HD2 : -0.701: 0
: 2242:A 95 THR H :A 107 LEU 1HB : -0.492: 0
: 2242:A 121 ARG HA :A 124 VAL 2HG2 : -0.655: 0
: 2242:A 75 ALA 1HB :A 79 GLN 2HG : -0.626: 0
: 2242:A 19 TRP HH2 :A 55 PRO HA : -0.604: 0
: 2242:A 74 VAL 2HG1 :A 40 LEU 1HB : -0.554: 0
: 2242:A 56 VAL HB :A 55 PRO O : -0.439: 0
: 2242:A 19 TRP CE3 :A 74 VAL 1HG1 : -0.409: 0
: 2242:A 70 TRP CZ2 :A 68 PHE HD2 : -0.551: 0
: 2242:A 70 TRP CE2 :A 68 PHE HD2 : -0.548: 0
: 2242:A 13 ARG 2HG :A 14 LEU 2HD2 : -0.544: 0
: 2242:A 13 ARG 1HG :A 10 LEU O : -0.457: 0
: 2242:A 54 ASN H :A 53 ASP CG : -0.524: 0
: 2242:A 49 PRO 1HD :A 48 THR HB : -0.493: 0
: 2242:A 31 ILE 2HG1 :A 27 VAL O : -0.480: 0
: 2242:A 57 MET O :A 60 GLU 1HG : -0.479: 0
: 2242:A 76 ASP C :A 77 LEU 2HD1 : -0.473: 0
: 2242:A 26 THR HB :A 23 GLU H : -0.459: 0
: 2242:A 119 LEU O :A 123 ILE 2HG1 : -0.447: 0
: 2242:A 88 ASN 2HD2 :A 88 ASN N : -0.446: 0
: 2242:A 30 TRP O :A 34 VAL 2HG2 : -0.442: 0
: 2242:A 116 LEU 3HD2 :A 116 LEU C : -0.426: 0
: 2242:A 90 ARG 2HD :A 90 ARG N : -0.415: 0
: 2242:A 11 TRP HD1 :A 7 PHE 1HB : -0.403: 0
: 2242:A 62 LEU 3HD2 :A 62 LEU C : -0.400: 0
#sum2 ::11.60 clashscore : 11.60 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251632 potential dots:15730.0 A^2:26 bumps:26 bumps B<40:557.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 111 HIS H :A 112 PRO 1HD : -0.897: 0
: 2242:A 111 HIS H :A 112 PRO CD : -0.514: 0
: 2242:A 112 PRO 1HD :A 111 HIS N : -0.480: 0
: 2242:A 13 ARG 2HG :A 14 LEU 2HD2 : -0.717: 0
: 2242:A 13 ARG 1HG :A 10 LEU O : -0.437: 0
: 2242:A 60 GLU O :A 63 ARG 1HG : -0.682: 0
: 2242:A 60 GLU CD :A 57 MET HA : -0.428: 0
: 2242:A 95 THR HB :A 107 LEU 1HB : -0.607: 0
: 2242:A 58 ILE 1HD1 :A 95 THR 1HG2 : -0.467: 0
: 2242:A 58 ILE H :A 56 VAL C : -0.465: 0
: 2242:A 116 LEU 1HD2 :A 61 LEU 1HD1 : -0.598: 0
: 2242:A 73 ALA 3HB :A 39 ILE 2HG1 : -0.584: 0
: 2242:A 98 PHE CD2 :A 39 ILE 3HD1 : -0.416: 0
: 2242:A 104 ARG HA :A 104 ARG HE : -0.573: 0
: 2242:A 123 ILE O :A 104 ARG 2HB : -0.440: 0
: 2242:A 104 ARG HA :A 104 ARG NE : -0.404: 0
: 2242:A 74 VAL 2HG1 :A 40 LEU 1HB : -0.550: 0
: 2242:A 74 VAL O :A 21 PRO HA : -0.482: 0
: 2242:A 11 TRP HZ2 :A 21 PRO 2HB : -0.410: 0
: 2242:A 37 GLY 1HA :A 70 TRP 2HB : -0.546: 0
: 2242:A 124 VAL 2HG1 :A 97 VAL 1HG1 : -0.541: 0
: 2242:A 120 MET O :A 124 VAL 2HG2 : -0.438: 0
: 2242:A 79 GLN 1HG :A 23 GLU HA : -0.528: 0
: 2242:A 79 GLN CG :A 23 GLU HA : -0.497: 0
: 2242:A 83 ILE 2HG1 :A 79 GLN O : -0.427: 0
: 2242:A 23 GLU 1HB :A 26 THR 2HG2 : -0.405: 0
: 2242:A 91 ARG O :A 45 PRO HA : -0.515: 0
: 2242:A 68 PHE 1HB :A 36 ASP OD2 : -0.511: 0
: 2242:A 99 THR 2HG2 :A 36 ASP OD1 : -0.420: 0
: 2242:A 30 TRP O :A 34 VAL 2HG2 : -0.469: 0
: 2242:A 31 ILE 2HG1 :A 27 VAL O : -0.450: 0
: 2242:A 76 ASP C :A 77 LEU 2HD1 : -0.445: 0
: 2242:A 64 GLU C :A 66 PRO 2HD : -0.428: 0
: 2242:A 33 ARG O :A 33 ARG 2HD : -0.428: 0
: 2242:A 33 ARG 1HH1 :A 33 ARG 2HD : -0.408: 0
: 2242:A 64 GLU O :A 66 PRO 2HD : -0.402: 0
: 2242:A 5 THR H :A 4 ASP CG : -0.408: 0
#sum2 ::16.50 clashscore : 16.50 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251596 potential dots:15720.0 A^2:37 bumps:37 bumps B<40:554.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 46 ARG HA :A 46 ARG HE : -0.870: 0
: 2242:A 53 ASP H :A 44 ASP 1HB : -0.611: 0
: 2242:A 46 ARG HE :A 46 ARG CA : -0.501: 0
: 2242:A 46 ARG HA :A 46 ARG NE : -0.471: 0
: 2242:A 93 PRO 2HB :A 43 SER HA : -0.456: 0
: 2242:A 44 ASP C :A 46 ARG H : -0.437: 0
: 2242:A 43 SER 1HB :A 53 ASP CB : -0.427: 0
: 2242:A 90 ARG HA :A 90 ARG HE : -0.642: 0
: 2242:A 90 ARG 1HB :A 89 VAL O : -0.406: 0
: 2242:A 89 VAL 2HG1 :A 89 VAL O : -0.405: 0
: 2242:A 90 ARG HA :A 90 ARG NE : -0.404: 0
: 2242:A 76 ASP HA :A 11 TRP CH2 : -0.594: 0
: 2242:A 15 LEU 1HD1 :A 11 TRP NE1 : -0.450: 0
: 2242:A 21 PRO 2HG :A 15 LEU CD2 : -0.410: 0
: 2242:A 61 LEU 1HD2 :A 116 LEU 2HD2 : -0.580: 0
: 2242:A 116 LEU 1HD2 :A 120 MET SD : -0.489: 0
: 2242:A 61 LEU O :A 64 GLU 1HB : -0.458: 0
: 2242:A 120 MET HA :A 123 ILE 2HD1 : -0.402: 0
: 2242:A 23 GLU 1HB :A 26 THR 2HG2 : -0.572: 0
: 2242:A 73 ALA 3HB :A 39 ILE 2HG1 : -0.565: 0
: 2242:A 103 LEU 1HB :A 98 PHE CE1 : -0.534: 0
: 2242:A 28 ASP HA :A 31 ILE 2HD1 : -0.506: 0
: 2242:A 98 PHE CD2 :A 39 ILE 3HD1 : -0.500: 0
: 2242:A 23 GLU O :A 27 VAL HB : -0.463: 0
: 2242:A 31 ILE 2HG1 :A 27 VAL O : -0.463: 0
: 2242:A 31 ILE 3HD1 :A 98 PHE CE1 : -0.405: 0
: 2242:A 103 LEU 3HD1 :A 98 PHE CZ : -0.400: 0
: 2242:A 79 GLN 1HB :A 75 ALA O : -0.496: 0
: 2242:A 75 ALA CB :A 83 ILE 2HD1 : -0.472: 0
: 2242:A 12 GLN NE2 :A 6 PRO 2HB : -0.459: 0
: 2242:A 104 ARG HA :A 104 ARG 2HD : -0.450: 0
: 2242:A 60 GLU HA :A 63 ARG 1HG : -0.441: 0
: 2242:A 110 ILE O :A 111 HIS 1HB : -0.441: 0
: 2242:A 127 PRO 2HD :A 126 THR HA : -0.439: 0
: 2242:A 13 ARG 1HG :A 10 LEU O : -0.436: 0
: 2242:A 13 ARG CG :A 14 LEU 2HD2 : -0.407: 0
: 2242:A 135 LEU 2HD1 :A 135 LEU O : -0.432: 0
: 2242:A 62 LEU 3HD1 :A 62 LEU HA : -0.429: 0
: 2242:A 40 LEU 1HD1 :A 58 ILE 1HG2 : -0.428: 0
: 2242:A 58 ILE H :A 57 MET H : -0.405: 0
: 2242:A 119 LEU 3HD1 :A 119 LEU HA : -0.421: 0
: 2242:A 117 LEU 1HD2 :A 113 TRP CE2 : -0.411: 0
: 2242:A 96 LEU 3HD1 :A 96 LEU HA : -0.404: 0
: 2242:A 68 PHE HD2 :A 70 TRP CE2 : -0.402: 0
: 2242:A 65 PHE CD1 :A 124 VAL 1HG2 : -0.402: 0
#sum2 ::20.07 clashscore : 20.07 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251407 potential dots:15710.0 A^2:45 bumps:45 bumps B<40:460 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 104 ARG HA :A 104 ARG HE : -0.716: 0
: 2242:A 104 ARG HA :A 104 ARG NE : -0.412: 0
: 2242:A 61 LEU 1HD2 :A 116 LEU 2HD2 : -0.710: 0
: 2242:A 109 GLY O :A 116 LEU 2HD1 : -0.452: 0
: 2242:A 116 LEU 3HD2 :A 116 LEU C : -0.451: 0
: 2242:A 70 TRP CZ2 :A 68 PHE HD2 : -0.646: 0
: 2242:A 29 ASP O :A 32 LYS 2HB : -0.634: 0
: 2242:A 32 LYS 1HD :A 32 LYS C : -0.430: 0
: 2242:A 29 ASP OD2 :A 141 HIS ND1 : -0.404: 0
: 2242:A 32 LYS 2HB :A 32 LYS 1HE : -0.401: 0
: 2242:A 13 ARG 1HG :A 9 ALA O : -0.626: 0
: 2242:A 80 SER CB :A 42 SER 2HB : -0.608: 0
: 2242:A 80 SER HG :A 42 SER CB : -0.417: 0
: 2242:A 74 VAL 2HG1 :A 40 LEU 1HB : -0.579: 0
: 2242:A 73 ALA 3HB :A 39 ILE 2HG1 : -0.579: 0
: 2242:A 117 LEU O :A 121 ARG 1HB : -0.579: 0
: 2242:A 40 LEU 3HD2 :A 95 THR 3HG2 : -0.507: 0
: 2242:A 58 ILE 1HG1 :A 40 LEU 1HD2 : -0.465: 0
: 2242:A 74 VAL O :A 21 PRO HA : -0.465: 0
: 2242:A 21 PRO 2HG :A 15 LEU 2HD2 : -0.420: 0
: 2242:A 21 PRO 2HD :A 20 GLN HA : -0.401: 0
: 2242:A 77 LEU H :A 76 ASP CG : -0.561: 0
: 2242:A 31 ILE 2HG1 :A 27 VAL O : -0.548: 0
: 2242:A 103 LEU 1HB :A 98 PHE CE1 : -0.514: 0
: 2242:A 31 ILE 3HD1 :A 98 PHE CE1 : -0.421: 0
: 2242:A 43 SER O :A 44 ASP 2HB : -0.532: 0
: 2242:A 64 GLU C :A 66 PRO 2HD : -0.507: 0
: 2242:A 131 GLU O :A 128 ALA HA : -0.470: 0
: 2242:A 83 ILE 2HG1 :A 79 GLN O : -0.469: 0
: 2242:A 24 ALA HA :A 83 ILE 1HG1 : -0.462: 0
: 2242:A 134 GLN 1HB :A 133 VAL O : -0.468: 0
: 2242:A 38 VAL HA :A 96 LEU O : -0.453: 0
: 2242:A 112 PRO 2HD :A 111 HIS 2HB : -0.437: 0
: 2242:A 10 LEU H :A 10 LEU 2HD1 : -0.426: 0
: 2242:A 10 LEU N :A 10 LEU 2HD1 : -0.420: 0
: 2242:A 90 ARG H :A 90 ARG 1HD : -0.419: 0
: 2242:A 119 LEU 3HD1 :A 119 LEU HA : -0.417: 0
: 2242:A 123 ILE 2HD1 :A 120 MET HA : -0.402: 0
#sum2 ::16.95 clashscore : 16.95 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251275 potential dots:15700.0 A^2:38 bumps:38 bumps B<40:478.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 76 ASP 2HB :A 79 GLN 1HG : -0.854: 0
: 2242:A 76 ASP OD1 :A 6 PRO 2HD : -0.640: 0
: 2242:A 76 ASP 1HB :A 5 THR 2HG2 : -0.634: 0
: 2242:A 6 PRO 1HD :A 5 THR HB : -0.580: 0
: 2242:A 79 GLN 2HB :A 24 ALA 2HB : -0.527: 0
: 2242:A 79 GLN 1HG :A 76 ASP CB : -0.504: 0
: 2242:A 5 THR HB :A 6 PRO CD : -0.495: 0
: 2242:A 24 ALA O :A 27 VAL 2HG1 : -0.477: 0
: 2242:A 23 GLU O :A 27 VAL HB : -0.473: 0
: 2242:A 31 ILE 2HG1 :A 27 VAL O : -0.419: 0
: 2242:A 76 ASP 2HB :A 79 GLN CG : -0.418: 0
: 2242:A 5 THR HA :A 76 ASP OD1 : -0.407: 0
: 2242:A 13 ARG 2HG :A 14 LEU 2HD2 : -0.680: 0
: 2242:A 14 LEU 3HD1 :A 14 LEU HA : -0.401: 0
: 2242:A 86 ARG NE :A 86 ARG HA : -0.634: 0
: 2242:A 86 ARG CZ :A 86 ARG HA : -0.469: 0
: 2242:A 86 ARG NE :A 86 ARG CA : -0.406: 0
: 2242:A 57 MET 1HB :A 113 TRP HZ3 : -0.631: 0
: 2242:A 70 TRP CZ2 :A 68 PHE HD2 : -0.596: 0
: 2242:A 68 PHE HD2 :A 70 TRP CE2 : -0.401: 0
: 2242:A 10 LEU H :A 10 LEU 2HD1 : -0.583: 0
: 2242:A 10 LEU N :A 10 LEU 2HD1 : -0.451: 0
: 2242:A 74 VAL 2HG1 :A 40 LEU 2HD1 : -0.565: 0
: 2242:A 41 LEU HG :A 96 LEU CD2 : -0.533: 0
: 2242:A 38 VAL HA :A 96 LEU O : -0.517: 0
: 2242:A 41 LEU HG :A 96 LEU 1HD2 : -0.514: 0
: 2242:A 94 ALA 1HB :A 106 ALA 1HB : -0.512: 0
: 2242:A 41 LEU 1HB :A 94 ALA H : -0.453: 0
: 2242:A 40 LEU 3HD2 :A 95 THR 3HG2 : -0.428: 0
: 2242:A 96 LEU 1HD2 :A 41 LEU CG : -0.420: 0
: 2242:A 89 VAL 1HG2 :A 96 LEU 1HD1 : -0.408: 0
: 2242:A 41 LEU 3HD2 :A 41 LEU HA : -0.406: 0
: 2242:A 106 ALA HA :A 95 THR O : -0.400: 0
: 2242:A 138 HIS 1HB :A 137 HIS O : -0.563: 0
: 2242:A 59 ALA O :A 63 ARG 2HG : -0.519: 0
: 2242:A 63 ARG 1HD :A 60 GLU HA : -0.465: 0
: 2242:A 135 LEU H :A 133 VAL C : -0.510: 0
: 2242:A 133 VAL 3HG2 :A 135 LEU H : -0.457: 0
: 2242:A 73 ALA 3HB :A 39 ILE 2HG1 : -0.493: 0
: 2242:A 39 ILE 2HD1 :A 39 ILE N : -0.411: 0
: 2242:A 42 SER N :A 80 SER 2HB : -0.483: 0
: 2242:A 51 VAL 3HG2 :A 110 ILE HA : -0.476: 0
: 2242:A 103 LEU 1HB :A 98 PHE CE1 : -0.471: 0
: 2242:A 103 LEU 2HD1 :A 97 VAL O : -0.404: 0
: 2242:A 56 VAL 3HG1 :A 54 ASN OD1 : -0.469: 0
: 2242:A 55 PRO 2HD :A 54 ASN HA : -0.422: 0
: 2242:A 112 PRO 1HD :A 111 HIS N : -0.440: 0
: 2242:A 61 LEU 1HD2 :A 116 LEU 2HD2 : -0.433: 0
: 2242:A 64 GLU 1HB :A 61 LEU O : -0.402: 0
: 2242:A 131 GLU O :A 132 THR HB : -0.429: 0
: 2242:A 131 GLU H :A 129 ALA C : -0.428: 0
: 2242:A 130 GLN O :A 131 GLU 1HB : -0.402: 0
: 2242:A 119 LEU O :A 123 ILE 1HG1 : -0.428: 0
: 2242:A 88 ASN 2HD2 :A 88 ASN N : -0.418: 0
: 2242:A 36 ASP OD1 :A 99 THR HA : -0.411: 0
: 2242:A 121 ARG HA :A 124 VAL 2HG2 : -0.404: 0
: 2242:A 102 LYS 2HD :A 100 ASP OD2 : -0.401: 0
: 2242:A 62 LEU HA :A 62 LEU 3HD1 : -0.401: 0
#sum2 ::25.87 clashscore : 25.87 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251644 potential dots:15730.0 A^2:58 bumps:58 bumps B<40:365.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 116 LEU HG :A 107 LEU 1HD1 : -0.764: 0
: 2242:A 120 MET SD :A 61 LEU 1HD1 : -0.508: 0
: 2242:A 61 LEU 1HD2 :A 116 LEU 2HD2 : -0.503: 0
: 2242:A 95 THR HB :A 107 LEU 2HB : -0.436: 0
: 2242:A 116 LEU 3HD2 :A 116 LEU C : -0.426: 0
: 2242:A 116 LEU HG :A 107 LEU CD1 : -0.417: 0
: 2242:A 10 LEU O :A 14 LEU HG : -0.724: 0
: 2242:A 10 LEU 1HD2 :A 46 ARG 1HH2 : -0.675: 0
: 2242:A 19 TRP CZ3 :A 14 LEU 2HD2 : -0.603: 0
: 2242:A 53 ASP C :A 54 ASN 2HD2 : -0.523: 0
: 2242:A 10 LEU HG :A 54 ASN ND2 : -0.456: 0
: 2242:A 93 PRO 2HD :A 45 PRO 1HG : -0.651: 0
: 2242:A 44 ASP 2HB :A 45 PRO 2HD : -0.465: 0
: 2242:A 44 ASP 2HB :A 45 PRO CD : -0.456: 0
: 2242:A 117 LEU O :A 121 ARG 1HB : -0.625: 0
: 2242:A 110 ILE H :A 110 ILE 2HD1 : -0.590: 0
: 2242:A 111 HIS CD2 :A 115 GLU 2HG : -0.580: 0
: 2242:A 102 LYS 2HD :A 103 LEU N : -0.569: 0
: 2242:A 103 LEU 1HB :A 98 PHE CE1 : -0.516: 0
: 2242:A 73 ALA 3HB :A 39 ILE 2HG1 : -0.556: 0
: 2242:A 38 VAL HA :A 96 LEU O : -0.417: 0
: 2242:A 39 ILE N :A 39 ILE 2HD1 : -0.410: 0
: 2242:A 39 ILE HB :A 96 LEU 1HB : -0.404: 0
: 2242:A 21 PRO 2HG :A 15 LEU 2HD2 : -0.510: 0
: 2242:A 15 LEU HG :A 11 TRP O : -0.456: 0
: 2242:A 21 PRO 2HG :A 15 LEU CD2 : -0.417: 0
: 2242:A 77 LEU HG :A 76 ASP OD2 : -0.498: 0
: 2242:A 78 GLU N :A 77 LEU 2HD1 : -0.410: 0
: 2242:A 23 GLU 1HB :A 26 THR 2HG2 : -0.461: 0
: 2242:A 23 GLU H :A 26 THR CG2 : -0.406: 0
: 2242:A 90 ARG 1HB :A 92 PHE CE2 : -0.439: 0
: 2242:A 7 PHE CG :A 8 SER N : -0.429: 0
: 2242:A 84 GLY 1HA :A 89 VAL 2HG1 : -0.415: 0
: 2242:A 13 ARG 1HH1 :A 13 ARG 2HD : -0.408: 0
: 2242:A 49 PRO 2HD :A 48 THR HA : -0.406: 0
: 2242:A 52 SER 1HB :A 48 THR O : -0.402: 0
#sum2 ::16.06 clashscore : 16.06 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251447 potential dots:15720.0 A^2:36 bumps:36 bumps B<40:438.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 120 MET 2HG :A 61 LEU 1HD1 : -0.911: 0
: 2242:A 135 LEU HG :A 138 HIS 2HB : -0.665: 0
: 2242:A 10 LEU O :A 14 LEU HG : -0.586: 0
: 2242:A 72 VAL HB :A 19 TRP CD1 : -0.512: 0
: 2242:A 17 ARG 1HD :A 19 TRP CZ2 : -0.498: 0
: 2242:A 19 TRP CZ3 :A 14 LEU 2HD2 : -0.449: 0
: 2242:A 17 ARG 2HH1 :A 56 VAL HA : -0.431: 0
: 2242:A 56 VAL 3HG1 :A 57 MET 2HG : -0.402: 0
: 2242:A 127 PRO 1HD :A 126 THR HB : -0.583: 0
: 2242:A 130 GLN 1HB :A 127 PRO 1HB : -0.411: 0
: 2242:A 42 SER 2HB :A 77 LEU HA : -0.579: 0
: 2242:A 42 SER CB :A 77 LEU HA : -0.446: 0
: 2242:A 11 TRP CZ3 :A 76 ASP HA : -0.549: 0
: 2242:A 79 GLN NE2 :A 79 GLN H : -0.513: 0
: 2242:A 76 ASP 2HB :A 79 GLN 2HE2 : -0.493: 0
: 2242:A 11 TRP 2HB :A 8 SER 2HB : -0.419: 0
: 2242:A 76 ASP 2HB :A 79 GLN NE2 : -0.413: 0
: 2242:A 123 ILE 1HG2 :A 97 VAL 1HG1 : -0.547: 0
: 2242:A 51 VAL H :A 48 THR 3HG2 : -0.547: 0
: 2242:A 53 ASP OD1 :A 45 PRO HA : -0.506: 0
: 2242:A 62 LEU HG :A 59 ALA O : -0.506: 0
: 2242:A 70 TRP CZ2 :A 68 PHE HD2 : -0.490: 0
: 2242:A 68 PHE HD2 :A 70 TRP CE2 : -0.405: 0
: 2242:A 94 ALA 1HB :A 108 SER H : -0.481: 0
: 2242:A 31 ILE 2HG1 :A 27 VAL O : -0.470: 0
: 2242:A 28 ASP HA :A 31 ILE 2HD1 : -0.441: 0
: 2242:A 39 ILE HB :A 96 LEU 1HB : -0.468: 0
: 2242:A 73 ALA 3HB :A 39 ILE 2HG1 : -0.467: 0
: 2242:A 60 GLU CD :A 60 GLU H : -0.450: 0
: 2242:A 32 LYS 2HE :A 32 LYS 2HB : -0.447: 0
: 2242:A 91 ARG 2HB :A 90 ARG O : -0.431: 0
: 2242:A 121 ARG HA :A 124 VAL 2HG2 : -0.427: 0
: 2242:A 121 ARG HA :A 121 ARG 2HD : -0.418: 0
: 2242:A 24 ALA HA :A 83 ILE 1HG1 : -0.426: 0
: 2242:A 13 ARG 1HG :A 9 ALA O : -0.426: 0
: 2242:A 75 ALA 1HB :A 83 ILE 2HD1 : -0.418: 0
: 2242:A 75 ALA CB :A 83 ILE 2HD1 : -0.408: 0
: 2242:A 107 LEU 2HD2 :A 107 LEU HA : -0.411: 0
: 2242:A 103 LEU 1HB :A 98 PHE CE1 : -0.409: 0
#sum2 ::17.40 clashscore : 17.40 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251112 potential dots:15690.0 A^2:39 bumps:39 bumps B<40:449.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 120 MET 1HG :A 116 LEU O : -0.719: 0
: 2242:A 61 LEU 1HD2 :A 116 LEU 2HD2 : -0.427: 0
: 2242:A 116 LEU 1HB :A 113 TRP HA : -0.423: 0
: 2242:A 116 LEU 2HD2 :A 120 MET SD : -0.411: 0
: 2242:A 65 PHE HZ :A 120 MET 2HG : -0.402: 0
: 2242:A 13 ARG 2HG :A 14 LEU 2HD2 : -0.708: 0
: 2242:A 14 LEU 2HD2 :A 13 ARG CG : -0.426: 0
: 2242:A 134 GLN 2HG :A 100 ASP O : -0.661: 0
: 2242:A 53 ASP OD2 :A 55 PRO 2HD : -0.589: 0
: 2242:A 111 HIS 1HB :A 115 GLU CG : -0.581: 0
: 2242:A 111 HIS 1HB :A 115 GLU 2HG : -0.562: 0
: 2242:A 72 VAL HB :A 19 TRP CD1 : -0.569: 0
: 2242:A 15 LEU HA :A 19 TRP O : -0.449: 0
: 2242:A 129 ALA O :A 130 GLN 2HB : -0.511: 0
: 2242:A 79 GLN 2HB :A 75 ALA 1HB : -0.506: 0
: 2242:A 74 VAL 2HG1 :A 40 LEU 1HB : -0.503: 0
: 2242:A 42 SER CB :A 77 LEU HA : -0.482: 0
: 2242:A 77 LEU H :A 77 LEU 3HD2 : -0.459: 0
: 2242:A 89 VAL 1HG2 :A 96 LEU 1HD1 : -0.474: 0
: 2242:A 38 VAL HA :A 96 LEU O : -0.433: 0
: 2242:A 89 VAL 2HG1 :A 89 VAL O : -0.408: 0
: 2242:A 110 ILE N :A 110 ILE 2HD1 : -0.471: 0
: 2242:A 110 ILE H :A 110 ILE 2HD1 : -0.425: 0
: 2242:A 92 PHE 1HB :A 93 PRO 1HD : -0.469: 0
: 2242:A 50 GLU O :A 51 VAL HB : -0.461: 0
: 2242:A 50 GLU C :A 52 SER H : -0.450: 0
: 2242:A 49 PRO 2HD :A 48 THR HA : -0.442: 0
: 2242:A 30 TRP O :A 34 VAL 2HG2 : -0.431: 0
: 2242:A 103 LEU 1HB :A 98 PHE CE1 : -0.429: 0
: 2242:A 97 VAL O :A 103 LEU 2HD1 : -0.404: 0
: 2242:A 135 LEU C :A 137 HIS H : -0.418: 0
: 2242:A 73 ALA 1HB :A 22 VAL CG1 : -0.418: 0
: 2242:A 6 PRO 2HD :A 5 THR HA : -0.417: 0
: 2242:A 119 LEU O :A 123 ILE 2HG1 : -0.412: 0
#sum2 ::15.17 clashscore : 15.17 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251406 potential dots:15710.0 A^2:34 bumps:34 bumps B<40:496.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 13 ARG 2HG :A 14 LEU 2HD2 : -0.673: 0
: 2242:A 14 LEU 1HD1 :A 55 PRO 2HG : -0.440: 0
: 2242:A 119 LEU O :A 123 ILE 2HG1 : -0.570: 0
: 2242:A 61 LEU O :A 64 GLU 1HG : -0.519: 0
: 2242:A 64 GLU O :A 66 PRO 2HD : -0.477: 0
: 2242:A 120 MET HA :A 123 ILE 2HD1 : -0.472: 0
: 2242:A 57 MET 2HB :A 113 TRP HZ3 : -0.470: 0
: 2242:A 120 MET 1HG :A 61 LEU 1HD1 : -0.433: 0
: 2242:A 119 LEU 3HD1 :A 119 LEU HA : -0.421: 0
: 2242:A 61 LEU 3HD2 :A 113 TRP CH2 : -0.415: 0
: 2242:A 73 ALA 3HB :A 39 ILE 2HG1 : -0.556: 0
: 2242:A 74 VAL 2HG1 :A 40 LEU 1HB : -0.509: 0
: 2242:A 74 VAL O :A 21 PRO HA : -0.449: 0
: 2242:A 26 THR CB :A 23 GLU 1HB : -0.491: 0
: 2242:A 26 THR HB :A 23 GLU 1HB : -0.449: 0
: 2242:A 79 GLN N :A 78 GLU 2HG : -0.487: 0
: 2242:A 78 GLU CD :A 2 ALA H : -0.410: 0
: 2242:A 53 ASP O :A 54 ASN 1HB : -0.486: 0
: 2242:A 95 THR HB :A 107 LEU 2HB : -0.464: 0
: 2242:A 38 VAL HA :A 96 LEU O : -0.419: 0
: 2242:A 38 VAL HB :A 95 THR CG2 : -0.415: 0
: 2242:A 127 PRO HA :A 133 VAL 1HG2 : -0.463: 0
: 2242:A 117 LEU H :A 117 LEU 2HD2 : -0.445: 0
: 2242:A 31 ILE 2HG1 :A 27 VAL O : -0.440: 0
: 2242:A 131 GLU 1HG :A 132 THR H : -0.433: 0
: 2242:A 132 THR 3HG2 :A 132 THR O : -0.424: 0
: 2242:A 58 ILE H :A 56 VAL C : -0.431: 0
: 2242:A 62 LEU HG :A 58 ILE O : -0.418: 0
: 2242:A 142 HIS 1HB :A 141 HIS O : -0.428: 0
: 2242:A 93 PRO 2HD :A 92 PHE HA : -0.406: 0
: 2242:A 77 LEU H :A 77 LEU 2HD1 : -0.405: 0
: 2242:A 125 ASP 1HB :A 122 SER O : -0.404: 0
: 2242:A 6 PRO 2HD :A 5 THR HA : -0.403: 0
#sum2 ::14.72 clashscore : 14.72 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251486 potential dots:15720.0 A^2:33 bumps:33 bumps B<40:468.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 64 GLU 2HB :A 117 LEU 1HD1 : -0.807: 0
: 2242:A 117 LEU O :A 121 ARG 1HB : -0.520: 0
: 2242:A 64 GLU 2HB :A 117 LEU CD1 : -0.428: 0
: 2242:A 64 GLU C :A 66 PRO 2HD : -0.411: 0
: 2242:A 64 GLU HA :A 64 GLU OE1 : -0.409: 0
: 2242:A 14 LEU 3HD2 :A 74 VAL 1HG1 : -0.640: 0
: 2242:A 74 VAL 2HG1 :A 40 LEU 1HB : -0.503: 0
: 2242:A 21 PRO 2HD :A 20 GLN HA : -0.446: 0
: 2242:A 74 VAL O :A 21 PRO HA : -0.431: 0
: 2242:A 40 LEU 3HD2 :A 95 THR 3HG2 : -0.404: 0
: 2242:A 12 GLN 2HB :A 9 ALA HA : -0.615: 0
: 2242:A 99 THR HB :A 104 ARG 1HH1 : -0.600: 0
: 2242:A 104 ARG NE :A 104 ARG HA : -0.540: 0
: 2242:A 104 ARG CG :A 123 ILE 2HG2 : -0.501: 0
: 2242:A 123 ILE 2HG2 :A 104 ARG 2HG : -0.434: 0
: 2242:A 104 ARG 1HH1 :A 104 ARG 1HD : -0.402: 0
: 2242:A 71 GLN OE1 :A 34 VAL HB : -0.572: 0
: 2242:A 30 TRP O :A 34 VAL 2HG2 : -0.453: 0
: 2242:A 44 ASP OD2 :A 46 ARG 1HB : -0.570: 0
: 2242:A 43 SER O :A 44 ASP 2HB : -0.483: 0
: 2242:A 44 ASP HA :A 45 PRO 2HD : -0.467: 0
: 2242:A 79 GLN 1HB :A 76 ASP 2HB : -0.544: 0
: 2242:A 75 ALA CB :A 83 ILE 2HD1 : -0.423: 0
: 2242:A 79 GLN O :A 83 ILE 2HG1 : -0.400: 0
: 2242:A 73 ALA 3HB :A 39 ILE 2HG1 : -0.539: 0
: 2242:A 98 PHE CD2 :A 39 ILE 3HD1 : -0.478: 0
: 2242:A 31 ILE 3HD1 :A 98 PHE CE1 : -0.472: 0
: 2242:A 98 PHE CZ :A 103 LEU 3HD1 : -0.419: 0
: 2242:A 10 LEU H :A 10 LEU 2HD1 : -0.525: 0
: 2242:A 10 LEU 2HD1 :A 10 LEU N : -0.408: 0
: 2242:A 91 ARG HA :A 1 MET CE : -0.523: 0
: 2242:A 91 ARG O :A 92 PHE 1HB : -0.468: 0
: 2242:A 91 ARG HA :A 1 MET 1HE : -0.406: 0
: 2242:A 72 VAL 3HG1 :A 38 VAL 3HG2 : -0.509: 0
: 2242:A 72 VAL HB :A 19 TRP CD1 : -0.507: 0
: 2242:A 38 VAL HA :A 96 LEU O : -0.424: 0
: 2242:A 55 PRO 1HB :A 19 TRP HH2 : -0.400: 0
: 2242:A 58 ILE H :A 56 VAL C : -0.506: 0
: 2242:A 23 GLU 1HB :A 26 THR 2HG2 : -0.490: 0
: 2242:A 53 ASP O :A 54 ASN 1HB : -0.486: 0
: 2242:A 54 ASN N :A 54 ASN 2HD2 : -0.434: 0
: 2242:A 70 TRP CZ2 :A 68 PHE HD2 : -0.465: 0
: 2242:A 107 LEU 3HD2 :A 97 VAL CG2 : -0.462: 0
: 2242:A 120 MET 2HG :A 107 LEU 1HD2 : -0.442: 0
: 2242:A 136 GLU HA :A 136 GLU OE1 : -0.439: 0
: 2242:A 41 LEU CD1 :A 89 VAL 1HG1 : -0.425: 0
: 2242:A 61 LEU 2HD2 :A 61 LEU HA : -0.410: 0
: 2242:A 52 SER 1HB :A 51 VAL O : -0.409: 0
#sum2 ::21.41 clashscore : 21.41 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251656 potential dots:15730.0 A^2:48 bumps:48 bumps B<40:429.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 10 LEU 3HD2 :A 7 PHE 2HB : -0.849: 0
: 2242:A 49 PRO 2HD :A 48 THR HB : -0.848: 0
: 2242:A 48 THR CB :A 49 PRO 2HD : -0.579: 0
: 2242:A 48 THR HB :A 49 PRO CD : -0.570: 0
: 2242:A 61 LEU 1HD2 :A 116 LEU 2HD2 : -0.796: 0
: 2242:A 116 LEU CD2 :A 61 LEU 1HD2 : -0.532: 0
: 2242:A 116 LEU 3HD2 :A 116 LEU C : -0.435: 0
: 2242:A 120 MET 1HB :A 116 LEU O : -0.408: 0
: 2242:A 13 ARG 2HG :A 14 LEU 2HD2 : -0.757: 0
: 2242:A 92 PHE HE2 :A 108 SER 2HB : -0.733: 0
: 2242:A 90 ARG 1HB :A 92 PHE CE1 : -0.591: 0
: 2242:A 90 ARG 1HB :A 92 PHE HE1 : -0.583: 0
: 2242:A 90 ARG H :A 89 VAL 2HG1 : -0.556: 0
: 2242:A 90 ARG N :A 89 VAL 2HG1 : -0.493: 0
: 2242:A 89 VAL 3HG2 :A 87 PHE 1HB : -0.470: 0
: 2242:A 72 VAL HB :A 19 TRP CD1 : -0.609: 0
: 2242:A 83 ILE 2HG1 :A 79 GLN O : -0.547: 0
: 2242:A 24 ALA HA :A 83 ILE 1HG1 : -0.540: 0
: 2242:A 76 ASP 2HB :A 79 GLN 1HG : -0.511: 0
: 2242:A 76 ASP 2HB :A 79 GLN CG : -0.405: 0
: 2242:A 32 LYS 2HE :A 29 ASP HA : -0.545: 0
: 2242:A 32 LYS 2HE :A 29 ASP CG : -0.401: 0
: 2242:A 138 HIS HA :A 136 GLU OE2 : -0.542: 0
: 2242:A 138 HIS 1HB :A 137 HIS O : -0.427: 0
: 2242:A 55 PRO 2HD :A 53 ASP C : -0.536: 0
: 2242:A 54 ASN N :A 55 PRO 2HD : -0.522: 0
: 2242:A 74 VAL 2HG1 :A 40 LEU 1HB : -0.524: 0
: 2242:A 40 LEU 1HD1 :A 58 ILE 1HG2 : -0.465: 0
: 2242:A 42 SER 2HB :A 75 ALA O : -0.519: 0
: 2242:A 38 VAL HA :A 96 LEU O : -0.503: 0
: 2242:A 39 ILE HB :A 96 LEU 1HB : -0.456: 0
: 2242:A 39 ILE 2HD1 :A 39 ILE N : -0.424: 0
: 2242:A 38 VAL 3HG1 :A 70 TRP CE3 : -0.412: 0
: 2242:A 38 VAL HB :A 95 THR CG2 : -0.411: 0
: 2242:A 98 PHE CZ :A 103 LEU 3HD1 : -0.475: 0
: 2242:A 113 TRP HH2 :A 60 GLU 2HG : -0.474: 0
: 2242:A 31 ILE 2HG1 :A 27 VAL O : -0.464: 0
: 2242:A 77 LEU H :A 77 LEU 2HD1 : -0.456: 0
: 2242:A 64 GLU C :A 66 PRO 2HD : -0.451: 0
: 2242:A 21 PRO 2HG :A 15 LEU 2HD2 : -0.448: 0
: 2242:A 117 LEU 2HD2 :A 117 LEU N : -0.426: 0
: 2242:A 88 ASN 2HD2 :A 88 ASN N : -0.415: 0
: 2242:A 52 SER 2HB :A 93 PRO 1HB : -0.408: 0
: 2242:A 119 LEU O :A 123 ILE 1HG1 : -0.400: 0
#sum2 ::19.63 clashscore : 19.63 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251357 potential dots:15710.0 A^2:44 bumps:44 bumps B<40:488.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 43 SER HA :A 93 PRO 1HG : -0.901: 0
: 2242:A 41 LEU 1HB :A 93 PRO 2HB : -0.492: 0
: 2242:A 80 SER HA :A 41 LEU 2HD2 : -0.454: 0
: 2242:A 93 PRO 1HG :A 43 SER CA : -0.415: 0
: 2242:A 43 SER HA :A 93 PRO CG : -0.400: 0
: 2242:A 90 ARG H :A 89 VAL 2HG1 : -0.780: 0
: 2242:A 90 ARG 1HG :A 91 ARG H : -0.685: 0
: 2242:A 91 ARG N :A 90 ARG 1HG : -0.485: 0
: 2242:A 91 ARG O :A 92 PHE 1HB : -0.431: 0
: 2242:A 89 VAL 2HG1 :A 90 ARG N : -0.414: 0
: 2242:A 90 ARG H :A 89 VAL CG1 : -0.408: 0
: 2242:A 23 GLU O :A 27 VAL HB : -0.657: 0
: 2242:A 79 GLN 1HG :A 23 GLU HA : -0.518: 0
: 2242:A 79 GLN 2HB :A 83 ILE CD1 : -0.435: 0
: 2242:A 116 LEU 1HD2 :A 61 LEU 1HD2 : -0.654: 0
: 2242:A 74 VAL 2HG1 :A 40 LEU 1HB : -0.561: 0
: 2242:A 58 ILE 2HD1 :A 61 LEU 3HD1 : -0.510: 0
: 2242:A 120 MET 1HG :A 116 LEU O : -0.481: 0
: 2242:A 40 LEU 1HD1 :A 58 ILE 1HG2 : -0.438: 0
: 2242:A 116 LEU HG :A 107 LEU CD1 : -0.431: 0
: 2242:A 74 VAL O :A 21 PRO HA : -0.421: 0
: 2242:A 120 MET CG :A 65 PHE HZ : -0.417: 0
: 2242:A 60 GLU HA :A 63 ARG 1HG : -0.607: 0
: 2242:A 63 ARG HE :A 60 GLU HA : -0.466: 0
: 2242:A 60 GLU OE1 :A 57 MET HA : -0.457: 0
: 2242:A 56 VAL O :A 57 MET 1HB : -0.415: 0
: 2242:A 28 ASP HA :A 31 ILE 2HD1 : -0.521: 0
: 2242:A 77 LEU 1HB :A 76 ASP O : -0.518: 0
: 2242:A 75 ALA C :A 77 LEU H : -0.430: 0
: 2242:A 42 SER 2HB :A 77 LEU HA : -0.410: 0
: 2242:A 22 VAL 3HG1 :A 73 ALA 1HB : -0.512: 0
: 2242:A 110 ILE O :A 111 HIS 1HB : -0.505: 0
: 2242:A 64 GLU O :A 66 PRO 2HD : -0.491: 0
: 2242:A 64 GLU C :A 66 PRO 2HD : -0.454: 0
: 2242:A 70 TRP CZ2 :A 68 PHE HD2 : -0.487: 0
: 2242:A 32 LYS O :A 32 LYS 1HD : -0.486: 0
: 2242:A 104 ARG HA :A 104 ARG HE : -0.473: 0
: 2242:A 44 ASP HA :A 45 PRO 2HD : -0.469: 0
: 2242:A 10 LEU O :A 14 LEU 3HD2 : -0.461: 0
: 2242:A 13 ARG 2HG :A 14 LEU 2HD2 : -0.442: 0
: 2242:A 13 ARG 1HG :A 9 ALA O : -0.427: 0
: 2242:A 6 PRO 2HD :A 5 THR HA : -0.451: 0
: 2242:A 53 ASP O :A 54 ASN 1HB : -0.442: 0
: 2242:A 15 LEU 1HD1 :A 11 TRP NE1 : -0.412: 0
: 2242:A 119 LEU O :A 123 ILE 2HG1 : -0.407: 0
: 2242:A 133 VAL 3HG1 :A 131 GLU 2HB : -0.407: 0
: 2242:A 48 THR N :A 47 ARG 2HG : -0.400: 0
#sum2 ::20.96 clashscore : 20.96 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251303 potential dots:15710.0 A^2:47 bumps:47 bumps B<40:477.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 42 SER 2HB :A 77 LEU HA : -0.892: 0
: 2242:A 80 SER CB :A 42 SER 1HB : -0.592: 0
: 2242:A 44 ASP OD1 :A 77 LEU 2HD2 : -0.490: 0
: 2242:A 42 SER 1HB :A 80 SER OG : -0.483: 0
: 2242:A 44 ASP 1HB :A 45 PRO 1HD : -0.418: 0
: 2242:A 72 VAL HB :A 19 TRP CD1 : -0.771: 0
: 2242:A 89 VAL 1HG2 :A 96 LEU 1HD1 : -0.631: 0
: 2242:A 70 TRP CZ2 :A 68 PHE HD2 : -0.541: 0
: 2242:A 38 VAL HA :A 96 LEU O : -0.505: 0
: 2242:A 70 TRP 1HB :A 62 LEU HG : -0.473: 0
: 2242:A 68 PHE 1HB :A 70 TRP NE1 : -0.459: 0
: 2242:A 96 LEU 1HD1 :A 89 VAL CG2 : -0.449: 0
: 2242:A 72 VAL 2HG2 :A 38 VAL CG2 : -0.438: 0
: 2242:A 72 VAL HA :A 38 VAL O : -0.433: 0
: 2242:A 90 ARG N :A 90 ARG 1HD : -0.430: 0
: 2242:A 62 LEU 3HD2 :A 62 LEU C : -0.427: 0
: 2242:A 68 PHE CD2 :A 70 TRP CZ2 : -0.427: 0
: 2242:A 68 PHE HE1 :A 128 ALA 3HB : -0.427: 0
: 2242:A 89 VAL C :A 90 ARG 1HD : -0.422: 0
: 2242:A 38 VAL 3HG1 :A 70 TRP CE3 : -0.408: 0
: 2242:A 104 ARG HA :A 104 ARG HE : -0.769: 0
: 2242:A 126 THR 1HG2 :A 104 ARG 1HD : -0.415: 0
: 2242:A 104 ARG HE :A 104 ARG CA : -0.404: 0
: 2242:A 13 ARG HA :A 13 ARG HE : -0.740: 0
: 2242:A 13 ARG NE :A 13 ARG HA : -0.648: 0
: 2242:A 135 LEU H :A 133 VAL 2HG1 : -0.618: 0
: 2242:A 111 HIS H :A 112 PRO 1HD : -0.613: 0
: 2242:A 112 PRO 1HD :A 111 HIS N : -0.511: 0
: 2242:A 11 TRP HD1 :A 6 PRO HA : -0.604: 0
: 2242:A 6 PRO HA :A 11 TRP CD1 : -0.559: 0
: 2242:A 63 ARG 1HD :A 60 GLU OE1 : -0.589: 0
: 2242:A 58 ILE 1HG1 :A 40 LEU 1HD2 : -0.544: 0
: 2242:A 58 ILE 2HD1 :A 58 ILE N : -0.400: 0
: 2242:A 66 PRO 2HG :A 141 HIS HE1 : -0.511: 0
: 2242:A 31 ILE 2HG1 :A 27 VAL O : -0.503: 0
: 2242:A 71 GLN OE1 :A 34 VAL HB : -0.405: 0
: 2242:A 31 ILE HA :A 34 VAL 2HG2 : -0.401: 0
: 2242:A 43 SER CB :A 93 PRO 2HB : -0.500: 0
: 2242:A 43 SER 1HB :A 93 PRO 2HB : -0.434: 0
: 2242:A 10 LEU HG :A 48 THR CG2 : -0.477: 0
: 2242:A 48 THR 3HG2 :A 10 LEU HG : -0.447: 0
: 2242:A 32 LYS 2HE :A 32 LYS 2HB : -0.452: 0
: 2242:A 116 LEU 3HD2 :A 116 LEU O : -0.450: 0
: 2242:A 55 PRO 2HD :A 54 ASN HA : -0.445: 0
: 2242:A 76 ASP 2HB :A 79 GLN CG : -0.431: 0
: 2242:A 113 TRP O :A 114 ALA 2HB : -0.425: 0
: 2242:A 73 ALA 3HB :A 39 ILE 2HG1 : -0.417: 0
: 2242:A 21 PRO 2HD :A 20 GLN HA : -0.411: 0
#sum2 ::21.41 clashscore : 21.41 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251279 potential dots:15700.0 A^2:48 bumps:48 bumps B<40:478.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 89 VAL 1HG2 :A 96 LEU 1HD1 : -0.686: 0
: 2242:A 123 ILE 1HG2 :A 97 VAL 1HG1 : -0.677: 0
: 2242:A 97 VAL 1HG2 :A 123 ILE 3HD1 : -0.411: 0
: 2242:A 41 LEU 1HB :A 93 PRO 1HB : -0.620: 0
: 2242:A 93 PRO HA :A 41 LEU 2HD1 : -0.534: 0
: 2242:A 41 LEU 1HB :A 93 PRO CB : -0.524: 0
: 2242:A 80 SER HA :A 41 LEU 2HD2 : -0.508: 0
: 2242:A 70 TRP CZ2 :A 68 PHE HD2 : -0.606: 0
: 2242:A 74 VAL 2HG1 :A 40 LEU 1HB : -0.580: 0
: 2242:A 74 VAL O :A 21 PRO HA : -0.436: 0
: 2242:A 59 ALA O :A 63 ARG 2HG : -0.570: 0
: 2242:A 79 GLN 1HB :A 75 ALA 1HB : -0.556: 0
: 2242:A 23 GLU 1HB :A 26 THR 2HG2 : -0.551: 0
: 2242:A 23 GLU H :A 26 THR CG2 : -0.454: 0
: 2242:A 57 MET O :A 60 GLU 1HG : -0.548: 0
: 2242:A 76 ASP 2HB :A 77 LEU 2HD1 : -0.518: 0
: 2242:A 13 ARG 1HG :A 14 LEU 2HD2 : -0.515: 0
: 2242:A 13 ARG 1HG :A 10 LEU O : -0.466: 0
: 2242:A 14 LEU 2HD2 :A 13 ARG CG : -0.442: 0
: 2242:A 136 GLU HA :A 136 GLU OE1 : -0.505: 0
: 2242:A 88 ASN 2HD2 :A 88 ASN N : -0.468: 0
: 2242:A 116 LEU HG :A 107 LEU 1HD1 : -0.455: 0
: 2242:A 106 ALA HA :A 95 THR O : -0.445: 0
: 2242:A 62 LEU 3HD1 :A 58 ILE 2HG1 : -0.437: 0
: 2242:A 47 ARG HA :A 47 ARG 1HD : -0.436: 0
: 2242:A 115 GLU 1HG :A 111 HIS 1HB : -0.436: 0
: 2242:A 110 ILE CG1 :A 115 GLU 2HG : -0.413: 0
: 2242:A 19 TRP HH2 :A 56 VAL HA : -0.432: 0
: 2242:A 56 VAL HA :A 19 TRP CH2 : -0.424: 0
: 2242:A 5 THR H :A 4 ASP 1HB : -0.429: 0
: 2242:A 3 ASN 2HD2 :A 4 ASP CG : -0.419: 0
: 2242:A 39 ILE 2HD1 :A 39 ILE N : -0.428: 0
: 2242:A 86 ARG 2HB :A 83 ILE O : -0.419: 0
: 2242:A 91 ARG O :A 92 PHE 1HB : -0.419: 0
: 2242:A 20 GLN 2HE2 :A 20 GLN 1HB : -0.411: 0
#sum2 ::15.61 clashscore : 15.61 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251281 potential dots:15710.0 A^2:35 bumps:35 bumps B<40:471.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 104 ARG CZ :A 104 ARG HA : -0.695: 0
: 2242:A 104 ARG NE :A 104 ARG HA : -0.673: 0
: 2242:A 104 ARG 2HB :A 123 ILE 2HG2 : -0.521: 0
: 2242:A 61 LEU 1HD2 :A 116 LEU 2HD2 : -0.685: 0
: 2242:A 64 GLU 2HG :A 117 LEU 1HD1 : -0.508: 0
: 2242:A 117 LEU 1HD2 :A 113 TRP NE1 : -0.437: 0
: 2242:A 61 LEU O :A 64 GLU 1HB : -0.432: 0
: 2242:A 96 LEU HG :A 87 PHE CD2 : -0.671: 0
: 2242:A 96 LEU HG :A 87 PHE HD2 : -0.509: 0
: 2242:A 90 ARG 1HG :A 91 ARG H : -0.641: 0
: 2242:A 90 ARG 1HG :A 91 ARG N : -0.436: 0
: 2242:A 57 MET O :A 60 GLU 1HG : -0.616: 0
: 2242:A 59 ALA O :A 63 ARG 2HG : -0.612: 0
: 2242:A 63 ARG 2HD :A 60 GLU HA : -0.504: 0
: 2242:A 60 GLU HA :A 63 ARG CD : -0.420: 0
: 2242:A 40 LEU 1HD2 :A 58 ILE 3HD1 : -0.593: 0
: 2242:A 74 VAL 2HG1 :A 40 LEU 1HB : -0.573: 0
: 2242:A 40 LEU 1HD1 :A 58 ILE 1HG2 : -0.461: 0
: 2242:A 51 VAL 1HG2 :A 45 PRO HA : -0.582: 0
: 2242:A 37 GLY 1HA :A 70 TRP 2HB : -0.576: 0
: 2242:A 70 TRP N :A 70 TRP CD1 : -0.533: 0
: 2242:A 68 PHE HD2 :A 70 TRP NE1 : -0.519: 0
: 2242:A 70 TRP CE2 :A 68 PHE HD2 : -0.449: 0
: 2242:A 70 TRP HD1 :A 70 TRP N : -0.446: 0
: 2242:A 23 GLU 1HB :A 26 THR 2HG2 : -0.556: 0
: 2242:A 79 GLN CG :A 23 GLU HA : -0.528: 0
: 2242:A 83 ILE 1HG1 :A 27 VAL 1HG1 : -0.494: 0
: 2242:A 79 GLN 1HG :A 23 GLU HA : -0.457: 0
: 2242:A 83 ILE 2HG1 :A 79 GLN O : -0.446: 0
: 2242:A 76 ASP C :A 77 LEU 2HD1 : -0.442: 0
: 2242:A 79 GLN OE1 :A 76 ASP 1HB : -0.432: 0
: 2242:A 23 GLU O :A 27 VAL HB : -0.422: 0
: 2242:A 94 ALA 1HB :A 106 ALA 1HB : -0.526: 0
: 2242:A 31 ILE HA :A 34 VAL 2HG2 : -0.524: 0
: 2242:A 33 ARG 2HD :A 33 ARG C : -0.523: 0
: 2242:A 33 ARG O :A 33 ARG 2HD : -0.421: 0
: 2242:A 138 HIS H :A 136 GLU 2HG : -0.519: 0
: 2242:A 50 GLU 2HB :A 49 PRO O : -0.518: 0
: 2242:A 47 ARG O :A 48 THR HB : -0.407: 0
: 2242:A 49 PRO 1HD :A 48 THR HA : -0.402: 0
: 2242:A 13 ARG O :A 16 THR 2HG2 : -0.516: 0
: 2242:A 121 ARG HA :A 124 VAL 2HG2 : -0.515: 0
: 2242:A 121 ARG 1HH1 :A 121 ARG 2HD : -0.400: 0
: 2242:A 103 LEU 2HB :A 131 GLU 2HG : -0.464: 0
: 2242:A 103 LEU 2HB :A 131 GLU CG : -0.443: 0
: 2242:A 53 ASP O :A 55 PRO 2HD : -0.445: 0
: 2242:A 15 LEU 1HD1 :A 11 TRP NE1 : -0.439: 0
: 2242:A 93 PRO 2HB :A 43 SER HA : -0.430: 0
: 2242:A 44 ASP C :A 46 ARG H : -0.429: 0
: 2242:A 107 LEU 2HD2 :A 107 LEU HA : -0.416: 0
: 2242:A 95 THR HB :A 107 LEU 2HB : -0.408: 0
: 2242:A 97 VAL HA :A 38 VAL 2HG1 : -0.414: 0
: 2242:A 39 ILE N :A 39 ILE 2HD1 : -0.413: 0
: 2242:A 112 PRO 2HD :A 111 HIS CB : -0.405: 0
#sum2 ::24.09 clashscore : 24.09 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251463 potential dots:15720.0 A^2:54 bumps:54 bumps B<40:392 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 135 LEU H :A 135 LEU 3HD2 : -0.824: 0
: 2242:A 135 LEU H :A 135 LEU CD2 : -0.523: 0
: 2242:A 93 PRO 2HB :A 43 SER HA : -0.712: 0
: 2242:A 111 HIS 2HB :A 115 GLU 2HG : -0.708: 0
: 2242:A 111 HIS 2HB :A 115 GLU CG : -0.462: 0
: 2242:A 111 HIS HA :A 112 PRO 2HD : -0.426: 0
: 2242:A 23 GLU O :A 27 VAL HB : -0.638: 0
: 2242:A 31 ILE 2HG1 :A 27 VAL O : -0.462: 0
: 2242:A 72 VAL HB :A 19 TRP CD1 : -0.615: 0
: 2242:A 39 ILE HB :A 96 LEU 1HB : -0.614: 0
: 2242:A 38 VAL HB :A 95 THR CG2 : -0.526: 0
: 2242:A 38 VAL HA :A 96 LEU O : -0.506: 0
: 2242:A 40 LEU 3HD2 :A 95 THR 3HG2 : -0.484: 0
: 2242:A 95 THR HB :A 107 LEU 2HB : -0.450: 0
: 2242:A 96 LEU 1HD1 :A 89 VAL 2HG2 : -0.417: 0
: 2242:A 32 LYS 2HG :A 29 ASP O : -0.609: 0
: 2242:A 32 LYS 1HD :A 32 LYS C : -0.501: 0
: 2242:A 104 ARG 2HB :A 123 ILE CG2 : -0.603: 0
: 2242:A 104 ARG HA :A 104 ARG HE : -0.536: 0
: 2242:A 104 ARG NE :A 104 ARG HA : -0.496: 0
: 2242:A 104 ARG HE :A 104 ARG CA : -0.474: 0
: 2242:A 61 LEU 3HD2 :A 113 TRP CH2 : -0.588: 0
: 2242:A 71 GLN OE1 :A 34 VAL HB : -0.575: 0
: 2242:A 13 ARG 1HG :A 9 ALA O : -0.555: 0
: 2242:A 68 PHE CE1 :A 127 PRO HA : -0.546: 0
: 2242:A 68 PHE CD2 :A 70 TRP CZ2 : -0.448: 0
: 2242:A 67 GLN 2HB :A 127 PRO 2HB : -0.442: 0
: 2242:A 67 GLN 2HB :A 127 PRO CB : -0.429: 0
: 2242:A 70 TRP HA :A 36 ASP O : -0.419: 0
: 2242:A 11 TRP N :A 10 LEU 2HD1 : -0.522: 0
: 2242:A 60 GLU HA :A 63 ARG 1HG : -0.504: 0
: 2242:A 120 MET O :A 124 VAL 2HG2 : -0.504: 0
: 2242:A 45 PRO 2HD :A 44 ASP HA : -0.471: 0
: 2242:A 52 SER O :A 45 PRO 2HG : -0.441: 0
: 2242:A 52 SER 1HB :A 51 VAL O : -0.425: 0
: 2242:A 56 VAL O :A 57 MET 1HB : -0.462: 0
: 2242:A 21 PRO 2HG :A 15 LEU 2HD2 : -0.457: 0
: 2242:A 91 ARG 1HB :A 90 ARG O : -0.436: 0
: 2242:A 91 ARG O :A 92 PHE 1HB : -0.413: 0
: 2242:A 77 LEU 3HD2 :A 42 SER OG : -0.408: 0
#sum2 ::17.84 clashscore : 17.84 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251248 potential dots:15700.0 A^2:40 bumps:40 bumps B<40:474.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 135 LEU H :A 135 LEU 3HD2 : -0.859: 0
: 2242:A 135 LEU H :A 135 LEU CD2 : -0.448: 0
: 2242:A 60 GLU O :A 63 ARG 1HG : -0.736: 0
: 2242:A 14 LEU 3HD1 :A 74 VAL 1HG1 : -0.656: 0
: 2242:A 79 GLN 1HG :A 23 GLU HA : -0.603: 0
: 2242:A 23 GLU 1HB :A 26 THR 2HG2 : -0.547: 0
: 2242:A 79 GLN 1HB :A 75 ALA 1HB : -0.522: 0
: 2242:A 79 GLN CD :A 79 GLN H : -0.474: 0
: 2242:A 19 TRP HE3 :A 74 VAL 1HG2 : -0.470: 0
: 2242:A 74 VAL O :A 21 PRO HA : -0.444: 0
: 2242:A 10 LEU O :A 14 LEU HG : -0.413: 0
: 2242:A 75 ALA N :A 74 VAL 2HG1 : -0.407: 0
: 2242:A 19 TRP HZ3 :A 14 LEU 2HD2 : -0.401: 0
: 2242:A 78 GLU N :A 77 LEU 2HD1 : -0.594: 0
: 2242:A 44 ASP 2HB :A 45 PRO 2HD : -0.578: 0
: 2242:A 55 PRO CA :A 40 LEU 3HD1 : -0.535: 0
: 2242:A 116 LEU HG :A 107 LEU 1HD1 : -0.534: 0
: 2242:A 58 ILE 1HG1 :A 40 LEU 1HD2 : -0.516: 0
: 2242:A 55 PRO HA :A 40 LEU 3HD1 : -0.500: 0
: 2242:A 116 LEU CD2 :A 61 LEU 1HD2 : -0.492: 0
: 2242:A 40 LEU 3HD2 :A 95 THR 3HG2 : -0.490: 0
: 2242:A 62 LEU HG :A 58 ILE O : -0.475: 0
: 2242:A 116 LEU 3HD2 :A 116 LEU C : -0.444: 0
: 2242:A 95 THR HB :A 107 LEU 2HB : -0.440: 0
: 2242:A 43 SER OG :A 55 PRO 2HD : -0.436: 0
: 2242:A 40 LEU 3HD1 :A 55 PRO CB : -0.422: 0
: 2242:A 116 LEU 3HD2 :A 116 LEU O : -0.416: 0
: 2242:A 40 LEU 3HD1 :A 55 PRO 2HB : -0.407: 0
: 2242:A 92 PHE 1HB :A 93 PRO 1HD : -0.533: 0
: 2242:A 53 ASP O :A 54 ASN 1HB : -0.529: 0
: 2242:A 54 ASN 2HB :A 56 VAL 2HG2 : -0.521: 0
: 2242:A 46 ARG 1HD :A 54 ASN 1HD2 : -0.455: 0
: 2242:A 56 VAL O :A 57 MET 2HB : -0.441: 0
: 2242:A 121 ARG HA :A 124 VAL 2HG2 : -0.528: 0
: 2242:A 103 LEU 1HB :A 98 PHE CE1 : -0.518: 0
: 2242:A 31 ILE 2HG1 :A 27 VAL O : -0.508: 0
: 2242:A 98 PHE CD2 :A 39 ILE 3HD1 : -0.449: 0
: 2242:A 31 ILE 3HD1 :A 98 PHE CE1 : -0.423: 0
: 2242:A 48 THR 2HG2 :A 51 VAL CG2 : -0.513: 0
: 2242:A 109 GLY O :A 51 VAL HB : -0.478: 0
: 2242:A 49 PRO 2HD :A 48 THR HA : -0.435: 0
: 2242:A 35 GLY 1HA :A 101 GLY 1HA : -0.495: 0
: 2242:A 22 VAL 3HG1 :A 73 ALA 1HB : -0.478: 0
: 2242:A 119 LEU O :A 123 ILE 2HG1 : -0.466: 0
: 2242:A 104 ARG CB :A 123 ILE 3HG2 : -0.408: 0
: 2242:A 110 ILE O :A 111 HIS 1HB : -0.458: 0
: 2242:A 89 VAL 1HG2 :A 96 LEU 1HD1 : -0.448: 0
: 2242:A 127 PRO 2HD :A 126 THR HA : -0.437: 0
: 2242:A 136 GLU 1HG :A 134 GLN 1HG : -0.414: 0
: 2242:A 134 GLN CG :A 136 GLU 1HG : -0.413: 0
: 2242:A 33 ARG O :A 33 ARG 1HD : -0.411: 0
: 2242:A 91 ARG 2HH1 :A 81 GLU CD : -0.403: 0
#sum2 ::23.19 clashscore : 23.19 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251446 potential dots:15720.0 A^2:52 bumps:52 bumps B<40:449.3 score
Output from PDB validation software
Summary from PDB validation
May. 11, 02:16:54 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
Chain Atom Res Seq Chain Atom Res Seq Mol_ID Distance
-------------------------------------------------------------------------
A HE2 PHE 92 - A HG SER 108 8 Dist = 1.39
A HA SER 43 - A 1HG PRO 93 15 Dist = 1.42
A 3HD1 LEU 61 - A 2HG MET 120 10 Dist = 1.42
A HA SER 43 - A 2HB PRO 93 1 Dist = 1.44
A HE2 PHE 92 - A 1HB SER 108 14 Dist = 1.45
A 1HB SER 42 - A HA LEU 77 16 Dist = 1.48
A HA ALA 94 - A HA SER 108 2 Dist = 1.49
A 3HE MET 1 - A HA ARG 91 13 Dist = 1.49
A 2HD2 LEU 10 - A 1HH2 ARG 46 9 Dist = 1.50
A 2HB ASP 76 - A 1HG GLN 79 8 Dist = 1.51
A 2HB PHE 7 - A 2HD2 LEU 10 14 Dist = 1.52
A 2HB GLU 64 - A 1HD1 LEU 117 13 Dist = 1.55
A 3HD1 LEU 107 - A HG LEU 116 9 Dist = 1.56
A 2HB SER 43 - A 2HB PRO 93 4 Dist = 1.57
A HD1 HIS 111 - A OE1 GLU 115 12 Dist = 1.57
A HB THR 99 - A 1HH1 ARG 104 13 Dist = 1.57
A OD2 ASP 100 - A 1HH2 ARG 104 6 Dist = 1.57
A OD2 ASP 29 - A HD1 HIS 141 7 Dist = 1.58
A 1HB MET 57 - A HZ3 TRP 113 8 Dist = 1.58
A OD1 ASP 53 - A HE2 HIS 111 1 Dist = 1.58
A 2HD2 LEU 61 - A 3HD2 LEU 116 14 Dist = 1.58
A HH2 TRP 19 - A HA PRO 55 4 Dist = 1.58
A HD1 HIS 111 - A OE2 GLU 115 14 Dist = 1.59
A OD2 ASP 44 - A 1HH2 ARG 46 4 Dist = 1.59
A 1HZ LYS 32 - A OE2 GLU 136 1 Dist = 1.59
A 1HG1 VAL 133 - A H LEU 135 16 Dist = 1.59
A HG SER 42 - A OD1 ASP 44 16 Dist = 1.60
A OD1 ASP 100 - A 1HZ LYS 102 19 Dist = 1.60
A OD2 ASP 100 - A 2HZ LYS 102 15 Dist = 1.60
A HD1 HIS 111 - A OE1 GLU 115 10 Dist = 1.60
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.004 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.6 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-3.8 THR A 99 7 N - CA - C 107.4 111.2
4.0 ASP A 100 8 CA - CB - CG 116.6 112.6
4.4 ALA A 114 17 N - CA - C 115.6 111.2
3.8 ALA A 114 17 C - N - CA 125.5 121.7
-4.0 ALA A 114 19 N - CA - C 107.2 111.2
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 ASN 3 1HD2
1 A ASN 3 2HD2
1 A GLN 12 1HE2
1 A GLN 12 2HE2
1 A GLN 20 1HE2
1 A GLN 20 2HE2
1 A ASN 54 1HD2
1 A ASN 54 2HD2
1 A GLN 67 1HE2
1 A GLN 67 2HE2
1 A GLN 71 1HE2
1 A GLN 71 2HE2
1 A GLN 79 1HE2
1 A GLN 79 2HE2
1 A ASN 88 1HD2
1 A ASN 88 2HD2
1 A GLN 130 1HE2
1 A GLN 130 2HE2
1 A GLN 134 1HE2
1 A GLN 134 2HE2
2 A ASN 3 1HD2
2 A ASN 3 2HD2
2 A GLN 12 1HE2
2 A GLN 12 2HE2
2 A GLN 20 1HE2
2 A GLN 20 2HE2
2 A ASN 54 1HD2
2 A ASN 54 2HD2
2 A GLN 67 1HE2
2 A GLN 67 2HE2
2 A GLN 71 1HE2
2 A GLN 71 2HE2
2 A GLN 79 1HE2
2 A GLN 79 2HE2
2 A ASN 88 1HD2
2 A ASN 88 2HD2
2 A GLN 130 1HE2
2 A GLN 130 2HE2
2 A GLN 134 1HE2
2 A GLN 134 2HE2
3 A ASN 3 1HD2
3 A ASN 3 2HD2
3 A GLN 12 1HE2
3 A GLN 12 2HE2
3 A GLN 20 1HE2
3 A GLN 20 2HE2
3 A ASN 54 1HD2
3 A ASN 54 2HD2
3 A GLN 67 1HE2
3 A GLN 67 2HE2
3 A GLN 71 1HE2
3 A GLN 71 2HE2
3 A GLN 79 1HE2
3 A GLN 79 2HE2
3 A ASN 88 1HD2
3 A ASN 88 2HD2
3 A GLN 130 1HE2
3 A GLN 130 2HE2
3 A GLN 134 1HE2
3 A GLN 134 2HE2
4 A ASN 3 1HD2
4 A ASN 3 2HD2
4 A GLN 12 1HE2
4 A GLN 12 2HE2
4 A GLN 20 1HE2
4 A GLN 20 2HE2
4 A ASN 54 1HD2
4 A ASN 54 2HD2
4 A GLN 67 1HE2
4 A GLN 67 2HE2
4 A GLN 71 1HE2
4 A GLN 71 2HE2
4 A GLN 79 1HE2
4 A GLN 79 2HE2
4 A ASN 88 1HD2
4 A ASN 88 2HD2
4 A GLN 130 1HE2
4 A GLN 130 2HE2
4 A GLN 134 1HE2
4 A GLN 134 2HE2
5 A ASN 3 1HD2
5 A ASN 3 2HD2
5 A GLN 12 1HE2
5 A GLN 12 2HE2
5 A GLN 20 1HE2
5 A GLN 20 2HE2
5 A ASN 54 1HD2
5 A ASN 54 2HD2
5 A GLN 67 1HE2
5 A GLN 67 2HE2
5 A GLN 71 1HE2
5 A GLN 71 2HE2
5 A GLN 79 1HE2
5 A GLN 79 2HE2
5 A ASN 88 1HD2
5 A ASN 88 2HD2
5 A GLN 130 1HE2
5 A GLN 130 2HE2
5 A GLN 134 1HE2
5 A GLN 134 2HE2
6 A ASN 3 1HD2
6 A ASN 3 2HD2
6 A GLN 12 1HE2
6 A GLN 12 2HE2
6 A GLN 20 1HE2
6 A GLN 20 2HE2
6 A ASN 54 1HD2
6 A ASN 54 2HD2
6 A GLN 67 1HE2
6 A GLN 67 2HE2
6 A GLN 71 1HE2
6 A GLN 71 2HE2
6 A GLN 79 1HE2
6 A GLN 79 2HE2
6 A ASN 88 1HD2
6 A ASN 88 2HD2
6 A GLN 130 1HE2
6 A GLN 130 2HE2
6 A GLN 134 1HE2
6 A GLN 134 2HE2
7 A ASN 3 1HD2
7 A ASN 3 2HD2
7 A GLN 12 1HE2
7 A GLN 12 2HE2
7 A GLN 20 1HE2
7 A GLN 20 2HE2
7 A ASN 54 1HD2
7 A ASN 54 2HD2
7 A GLN 67 1HE2
7 A GLN 67 2HE2
7 A GLN 71 1HE2
7 A GLN 71 2HE2
7 A GLN 79 1HE2
7 A GLN 79 2HE2
7 A ASN 88 1HD2
7 A ASN 88 2HD2
7 A GLN 130 1HE2
7 A GLN 130 2HE2
7 A GLN 134 1HE2
7 A GLN 134 2HE2
8 A ASN 3 1HD2
8 A ASN 3 2HD2
8 A GLN 12 1HE2
8 A GLN 12 2HE2
8 A GLN 20 1HE2
8 A GLN 20 2HE2
8 A ASN 54 1HD2
8 A ASN 54 2HD2
8 A GLN 67 1HE2
8 A GLN 67 2HE2
8 A GLN 71 1HE2
8 A GLN 71 2HE2
8 A GLN 79 1HE2
8 A GLN 79 2HE2
8 A ASN 88 1HD2
8 A ASN 88 2HD2
8 A GLN 130 1HE2
8 A GLN 130 2HE2
8 A GLN 134 1HE2
8 A GLN 134 2HE2
9 A ASN 3 1HD2
9 A ASN 3 2HD2
9 A GLN 12 1HE2
9 A GLN 12 2HE2
9 A GLN 20 1HE2
9 A GLN 20 2HE2
9 A ASN 54 1HD2
9 A ASN 54 2HD2
9 A GLN 67 1HE2
9 A GLN 67 2HE2
9 A GLN 71 1HE2
9 A GLN 71 2HE2
9 A GLN 79 1HE2
9 A GLN 79 2HE2
9 A ASN 88 1HD2
9 A ASN 88 2HD2
9 A GLN 130 1HE2
9 A GLN 130 2HE2
9 A GLN 134 1HE2
9 A GLN 134 2HE2
10 A ASN 3 1HD2
10 A ASN 3 2HD2
10 A GLN 12 1HE2
10 A GLN 12 2HE2
10 A GLN 20 1HE2
10 A GLN 20 2HE2
10 A ASN 54 1HD2
10 A ASN 54 2HD2
10 A GLN 67 1HE2
10 A GLN 67 2HE2
10 A GLN 71 1HE2
10 A GLN 71 2HE2
10 A GLN 79 1HE2
10 A GLN 79 2HE2
10 A ASN 88 1HD2
10 A ASN 88 2HD2
10 A GLN 130 1HE2
10 A GLN 130 2HE2
10 A GLN 134 1HE2
10 A GLN 134 2HE2
11 A ASN 3 1HD2
11 A ASN 3 2HD2
11 A GLN 12 1HE2
11 A GLN 12 2HE2
11 A GLN 20 1HE2
11 A GLN 20 2HE2
11 A ASN 54 1HD2
11 A ASN 54 2HD2
11 A GLN 67 1HE2
11 A GLN 67 2HE2
11 A GLN 71 1HE2
11 A GLN 71 2HE2
11 A GLN 79 1HE2
11 A GLN 79 2HE2
11 A ASN 88 1HD2
11 A ASN 88 2HD2
11 A GLN 130 1HE2
11 A GLN 130 2HE2
11 A GLN 134 1HE2
11 A GLN 134 2HE2
12 A ASN 3 1HD2
12 A ASN 3 2HD2
12 A GLN 12 1HE2
12 A GLN 12 2HE2
12 A GLN 20 1HE2
12 A GLN 20 2HE2
12 A ASN 54 1HD2
12 A ASN 54 2HD2
12 A GLN 67 1HE2
12 A GLN 67 2HE2
12 A GLN 71 1HE2
12 A GLN 71 2HE2
12 A GLN 79 1HE2
12 A GLN 79 2HE2
12 A ASN 88 1HD2
12 A ASN 88 2HD2
12 A GLN 130 1HE2
12 A GLN 130 2HE2
12 A GLN 134 1HE2
12 A GLN 134 2HE2
13 A ASN 3 1HD2
13 A ASN 3 2HD2
13 A GLN 12 1HE2
13 A GLN 12 2HE2
13 A GLN 20 1HE2
13 A GLN 20 2HE2
13 A ASN 54 1HD2
13 A ASN 54 2HD2
13 A GLN 67 1HE2
13 A GLN 67 2HE2
13 A GLN 71 1HE2
13 A GLN 71 2HE2
13 A GLN 79 1HE2
13 A GLN 79 2HE2
13 A ASN 88 1HD2
13 A ASN 88 2HD2
13 A GLN 130 1HE2
13 A GLN 130 2HE2
13 A GLN 134 1HE2
13 A GLN 134 2HE2
14 A ASN 3 1HD2
14 A ASN 3 2HD2
14 A GLN 12 1HE2
14 A GLN 12 2HE2
14 A GLN 20 1HE2
14 A GLN 20 2HE2
14 A ASN 54 1HD2
14 A ASN 54 2HD2
14 A GLN 67 1HE2
14 A GLN 67 2HE2
14 A GLN 71 1HE2
14 A GLN 71 2HE2
14 A GLN 79 1HE2
14 A GLN 79 2HE2
14 A ASN 88 1HD2
14 A ASN 88 2HD2
14 A GLN 130 1HE2
14 A GLN 130 2HE2
14 A GLN 134 1HE2
14 A GLN 134 2HE2
15 A ASN 3 1HD2
15 A ASN 3 2HD2
15 A GLN 12 1HE2
15 A GLN 12 2HE2
15 A GLN 20 1HE2
15 A GLN 20 2HE2
15 A ASN 54 1HD2
15 A ASN 54 2HD2
15 A GLN 67 1HE2
15 A GLN 67 2HE2
15 A GLN 71 1HE2
15 A GLN 71 2HE2
15 A GLN 79 1HE2
15 A GLN 79 2HE2
15 A ASN 88 1HD2
15 A ASN 88 2HD2
15 A GLN 130 1HE2
15 A GLN 130 2HE2
15 A GLN 134 1HE2
15 A GLN 134 2HE2
16 A ASN 3 1HD2
16 A ASN 3 2HD2
16 A GLN 12 1HE2
16 A GLN 12 2HE2
16 A GLN 20 1HE2
16 A GLN 20 2HE2
16 A ASN 54 1HD2
16 A ASN 54 2HD2
16 A GLN 67 1HE2
16 A GLN 67 2HE2
16 A GLN 71 1HE2
16 A GLN 71 2HE2
16 A GLN 79 1HE2
16 A GLN 79 2HE2
16 A ASN 88 1HD2
16 A ASN 88 2HD2
16 A GLN 130 1HE2
16 A GLN 130 2HE2
16 A GLN 134 1HE2
16 A GLN 134 2HE2
17 A ASN 3 1HD2
17 A ASN 3 2HD2
17 A GLN 12 1HE2
17 A GLN 12 2HE2
17 A GLN 20 1HE2
17 A GLN 20 2HE2
17 A ASN 54 1HD2
17 A ASN 54 2HD2
17 A GLN 67 1HE2
17 A GLN 67 2HE2
17 A GLN 71 1HE2
17 A GLN 71 2HE2
17 A GLN 79 1HE2
17 A GLN 79 2HE2
17 A ASN 88 1HD2
17 A ASN 88 2HD2
17 A GLN 130 1HE2
17 A GLN 130 2HE2
17 A GLN 134 1HE2
17 A GLN 134 2HE2
18 A ASN 3 1HD2
18 A ASN 3 2HD2
18 A GLN 12 1HE2
18 A GLN 12 2HE2
18 A GLN 20 1HE2
18 A GLN 20 2HE2
18 A ASN 54 1HD2
18 A ASN 54 2HD2
18 A GLN 67 1HE2
18 A GLN 67 2HE2
18 A GLN 71 1HE2
18 A GLN 71 2HE2
18 A GLN 79 1HE2
18 A GLN 79 2HE2
18 A ASN 88 1HD2
18 A ASN 88 2HD2
18 A GLN 130 1HE2
18 A GLN 130 2HE2
18 A GLN 134 1HE2
18 A GLN 134 2HE2
19 A ASN 3 1HD2
19 A ASN 3 2HD2
19 A GLN 12 1HE2
19 A GLN 12 2HE2
19 A GLN 20 1HE2
19 A GLN 20 2HE2
19 A ASN 54 1HD2
19 A ASN 54 2HD2
19 A GLN 67 1HE2
19 A GLN 67 2HE2
19 A GLN 71 1HE2
19 A GLN 71 2HE2
19 A GLN 79 1HE2
19 A GLN 79 2HE2
19 A ASN 88 1HD2
19 A ASN 88 2HD2
19 A GLN 130 1HE2
19 A GLN 130 2HE2
19 A GLN 134 1HE2
19 A GLN 134 2HE2
20 A ASN 3 1HD2
20 A ASN 3 2HD2
20 A GLN 12 1HE2
20 A GLN 12 2HE2
20 A GLN 20 1HE2
20 A GLN 20 2HE2
20 A ASN 54 1HD2
20 A ASN 54 2HD2
20 A GLN 67 1HE2
20 A GLN 67 2HE2
20 A GLN 71 1HE2
20 A GLN 71 2HE2
20 A GLN 79 1HE2
20 A GLN 79 2HE2
20 A ASN 88 1HD2
20 A ASN 88 2HD2
20 A GLN 130 1HE2
20 A GLN 130 2HE2
20 A GLN 134 1HE2
20 A GLN 134 2HE2
OTHER IMPORTANT ISSUES
==> The following residues are missing:
(Note: The SEQ number starts from 1 for each chain according to SEQRES
sequence record.)
RES MOD#C SEQ
MET( 1 A-141 )
ALA( 1 A-140 )
ASN( 1 A-139 )
ASP( 1 A-138 )
THR( 1 A-137 )
PRO( 1 A-136 )
PHE( 1 A-135 )
SER( 1 A-134 )
ALA( 1 A-133 )
LEU( 1 A-132 )
TRP( 1 A-131 )
GLN( 1 A-130 )
ARG( 1 A-129 )
LEU( 1 A-128 )
LEU( 1 A-127 )
THR( 1 A-126 )
ARG( 1 A-125 )
GLY( 1 A-124 )
TRP( 1 A-123 )
GLN( 1 A-122 )
PRO( 1 A-121 )
VAL( 1 A-120 )
GLU( 1 A-119 )
ALA( 1 A-118 )
SER( 1 A-117 )
THR( 1 A-116 )
VAL( 1 A-115 )
ASP( 1 A-114 )
ASP( 1 A-113 )
TRP( 1 A-112 )
ILE( 1 A-111 )
LYS( 1 A-110 )
ARG( 1 A-109 )
VAL( 1 A-108 )
GLY( 1 A-107 )
ASP( 1 A-106 )
GLY( 1 A-105 )
VAL( 1 A-104 )
ILE( 1 A-103 )
LEU( 1 A-102 )
LEU( 1 A-101 )
SER( 1 A-100 )
SER( 1 A -99 )
ASP( 1 A -98 )
PRO( 1 A -97 )
ARG( 1 A -96 )
ARG( 1 A -95 )
THR( 1 A -94 )
PRO( 1 A -93 )
GLU( 1 A -92 )
VAL( 1 A -91 )
SER( 1 A -90 )
ASP( 1 A -89 )
ASN( 1 A -88 )
PRO( 1 A -87 )
VAL( 1 A -86 )
MET( 1 A -85 )
ILE( 1 A -84 )
ALA( 1 A -83 )
GLU( 1 A -82 )
LEU( 1 A -81 )
LEU( 1 A -80 )
ARG( 1 A -79 )
GLU( 1 A -78 )
PHE( 1 A -77 )
PRO( 1 A -76 )
GLN( 1 A -75 )
PHE( 1 A -74 )
ASP( 1 A -73 )
TRP( 1 A -72 )
GLN( 1 A -71 )
VAL( 1 A -70 )
ALA( 1 A -69 )
VAL( 1 A -68 )
ALA( 1 A -67 )
ASP( 1 A -66 )
LEU( 1 A -65 )
GLU( 1 A -64 )
GLN( 1 A -63 )
SER( 1 A -62 )
GLU( 1 A -61 )
ALA( 1 A -60 )
ILE( 1 A -59 )
GLY( 1 A -58 )
ASP( 1 A -57 )
ARG( 1 A -56 )
PHE( 1 A -55 )
ASN( 1 A -54 )
VAL( 1 A -53 )
ARG( 1 A -52 )
ARG( 1 A -51 )
PHE( 1 A -50 )
PRO( 1 A -49 )
ALA( 1 A -48 )
THR( 1 A -47 )
LEU( 1 A -46 )
VAL( 1 A -45 )
PHE( 1 A -44 )
THR( 1 A -43 )
ASP( 1 A -42 )
GLY( 1 A -41 )
LYS( 1 A -40 )
LEU( 1 A -39 )
ARG( 1 A -38 )
GLY( 1 A -37 )
ALA( 1 A -36 )
LEU( 1 A -35 )
SER( 1 A -34 )
GLY( 1 A -33 )
ILE( 1 A -32 )
HIS( 1 A -31 )
PRO( 1 A -30 )
TRP( 1 A -29 )
ALA( 1 A -28 )
GLU( 1 A -27 )
LEU( 1 A -26 )
LEU( 1 A -25 )
THR( 1 A -24 )
LEU( 1 A -23 )
MET( 1 A -22 )
ARG( 1 A -21 )
SER( 1 A -20 )
ILE( 1 A -19 )
VAL( 1 A -18 )
ASP( 1 A -17 )
THR( 1 A -16 )
PRO( 1 A -15 )
ALA( 1 A -14 )
ALA( 1 A -13 )
GLN( 1 A -12 )
GLU( 1 A -11 )
THR( 1 A -10 )
VAL( 1 A -9 )
GLN( 1 A -8 )
LEU( 1 A -7 )
GLU( 1 A -6 )
HIS( 1 A -5 )
HIS( 1 A -4 )
HIS( 1 A -3 )
HIS( 1 A -2 )
HIS( 1 A -1 )
HIS( 1 A 0 )
MET( 2 A-141 )
ALA( 2 A-140 )
ASN( 2 A-139 )
ASP( 2 A-138 )
THR( 2 A-137 )
PRO( 2 A-136 )
PHE( 2 A-135 )
SER( 2 A-134 )
ALA( 2 A-133 )
LEU( 2 A-132 )
TRP( 2 A-131 )
GLN( 2 A-130 )
ARG( 2 A-129 )
LEU( 2 A-128 )
LEU( 2 A-127 )
THR( 2 A-126 )
ARG( 2 A-125 )
GLY( 2 A-124 )
TRP( 2 A-123 )
GLN( 2 A-122 )
PRO( 2 A-121 )
VAL( 2 A-120 )
GLU( 2 A-119 )
ALA( 2 A-118 )
SER( 2 A-117 )
THR( 2 A-116 )
VAL( 2 A-115 )
ASP( 2 A-114 )
ASP( 2 A-113 )
TRP( 2 A-112 )
ILE( 2 A-111 )
LYS( 2 A-110 )
ARG( 2 A-109 )
VAL( 2 A-108 )
GLY( 2 A-107 )
ASP( 2 A-106 )
GLY( 2 A-105 )
VAL( 2 A-104 )
ILE( 2 A-103 )
LEU( 2 A-102 )
LEU( 2 A-101 )
SER( 2 A-100 )
SER( 2 A -99 )
ASP( 2 A -98 )
PRO( 2 A -97 )
ARG( 2 A -96 )
ARG( 2 A -95 )
THR( 2 A -94 )
PRO( 2 A -93 )
GLU( 2 A -92 )
VAL( 2 A -91 )
SER( 2 A -90 )
ASP( 2 A -89 )
ASN( 2 A -88 )
PRO( 2 A -87 )
VAL( 2 A -86 )
MET( 2 A -85 )
ILE( 2 A -84 )
ALA( 2 A -83 )
GLU( 2 A -82 )
LEU( 2 A -81 )
LEU( 2 A -80 )
ARG( 2 A -79 )
GLU( 2 A -78 )
PHE( 2 A -77 )
PRO( 2 A -76 )
GLN( 2 A -75 )
PHE( 2 A -74 )
ASP( 2 A -73 )
TRP( 2 A -72 )
GLN( 2 A -71 )
VAL( 2 A -70 )
ALA( 2 A -69 )
VAL( 2 A -68 )
ALA( 2 A -67 )
ASP( 2 A -66 )
LEU( 2 A -65 )
GLU( 2 A -64 )
GLN( 2 A -63 )
SER( 2 A -62 )
GLU( 2 A -61 )
ALA( 2 A -60 )
ILE( 2 A -59 )
GLY( 2 A -58 )
ASP( 2 A -57 )
ARG( 2 A -56 )
PHE( 2 A -55 )
ASN( 2 A -54 )
VAL( 2 A -53 )
ARG( 2 A -52 )
ARG( 2 A -51 )
PHE( 2 A -50 )
PRO( 2 A -49 )
ALA( 2 A -48 )
THR( 2 A -47 )
LEU( 2 A -46 )
VAL( 2 A -45 )
PHE( 2 A -44 )
THR( 2 A -43 )
ASP( 2 A -42 )
GLY( 2 A -41 )
LYS( 2 A -40 )
LEU( 2 A -39 )
ARG( 2 A -38 )
GLY( 2 A -37 )
ALA( 2 A -36 )
LEU( 2 A -35 )
SER( 2 A -34 )
GLY( 2 A -33 )
ILE( 2 A -32 )
HIS( 2 A -31 )
PRO( 2 A -30 )
TRP( 2 A -29 )
ALA( 2 A -28 )
GLU( 2 A -27 )
LEU( 2 A -26 )
LEU( 2 A -25 )
THR( 2 A -24 )
LEU( 2 A -23 )
MET( 2 A -22 )
ARG( 2 A -21 )
SER( 2 A -20 )
ILE( 2 A -19 )
VAL( 2 A -18 )
ASP( 2 A -17 )
THR( 2 A -16 )
PRO( 2 A -15 )
ALA( 2 A -14 )
ALA( 2 A -13 )
GLN( 2 A -12 )
GLU( 2 A -11 )
THR( 2 A -10 )
VAL( 2 A -9 )
GLN( 2 A -8 )
LEU( 2 A -7 )
GLU( 2 A -6 )
HIS( 2 A -5 )
HIS( 2 A -4 )
HIS( 2 A -3 )
HIS( 2 A -2 )
HIS( 2 A -1 )
HIS( 2 A 0 )
MET( 3 A-141 )
ALA( 3 A-140 )
ASN( 3 A-139 )
ASP( 3 A-138 )
THR( 3 A-137 )
PRO( 3 A-136 )
PHE( 3 A-135 )
SER( 3 A-134 )
ALA( 3 A-133 )
LEU( 3 A-132 )
TRP( 3 A-131 )
GLN( 3 A-130 )
ARG( 3 A-129 )
LEU( 3 A-128 )
LEU( 3 A-127 )
THR( 3 A-126 )
ARG( 3 A-125 )
GLY( 3 A-124 )
TRP( 3 A-123 )
GLN( 3 A-122 )
PRO( 3 A-121 )
VAL( 3 A-120 )
GLU( 3 A-119 )
ALA( 3 A-118 )
SER( 3 A-117 )
THR( 3 A-116 )
VAL( 3 A-115 )
ASP( 3 A-114 )
ASP( 3 A-113 )
TRP( 3 A-112 )
ILE( 3 A-111 )
LYS( 3 A-110 )
ARG( 3 A-109 )
VAL( 3 A-108 )
GLY( 3 A-107 )
ASP( 3 A-106 )
GLY( 3 A-105 )
VAL( 3 A-104 )
ILE( 3 A-103 )
LEU( 3 A-102 )
LEU( 3 A-101 )
SER( 3 A-100 )
SER( 3 A -99 )
ASP( 3 A -98 )
PRO( 3 A -97 )
ARG( 3 A -96 )
ARG( 3 A -95 )
THR( 3 A -94 )
PRO( 3 A -93 )
GLU( 3 A -92 )
VAL( 3 A -91 )
SER( 3 A -90 )
ASP( 3 A -89 )
ASN( 3 A -88 )
PRO( 3 A -87 )
VAL( 3 A -86 )
MET( 3 A -85 )
ILE( 3 A -84 )
ALA( 3 A -83 )
GLU( 3 A -82 )
LEU( 3 A -81 )
LEU( 3 A -80 )
ARG( 3 A -79 )
GLU( 3 A -78 )
PHE( 3 A -77 )
PRO( 3 A -76 )
GLN( 3 A -75 )
PHE( 3 A -74 )
ASP( 3 A -73 )
TRP( 3 A -72 )
GLN( 3 A -71 )
VAL( 3 A -70 )
ALA( 3 A -69 )
VAL( 3 A -68 )
ALA( 3 A -67 )
ASP( 3 A -66 )
LEU( 3 A -65 )
GLU( 3 A -64 )
GLN( 3 A -63 )
SER( 3 A -62 )
GLU( 3 A -61 )
ALA( 3 A -60 )
ILE( 3 A -59 )
GLY( 3 A -58 )
ASP( 3 A -57 )
ARG( 3 A -56 )
PHE( 3 A -55 )
ASN( 3 A -54 )
VAL( 3 A -53 )
ARG( 3 A -52 )
ARG( 3 A -51 )
PHE( 3 A -50 )
PRO( 3 A -49 )
ALA( 3 A -48 )
THR( 3 A -47 )
LEU( 3 A -46 )
VAL( 3 A -45 )
PHE( 3 A -44 )
THR( 3 A -43 )
ASP( 3 A -42 )
GLY( 3 A -41 )
LYS( 3 A -40 )
LEU( 3 A -39 )
ARG( 3 A -38 )
GLY( 3 A -37 )
ALA( 3 A -36 )
LEU( 3 A -35 )
SER( 3 A -34 )
GLY( 3 A -33 )
ILE( 3 A -32 )
HIS( 3 A -31 )
PRO( 3 A -30 )
TRP( 3 A -29 )
ALA( 3 A -28 )
GLU( 3 A -27 )
LEU( 3 A -26 )
LEU( 3 A -25 )
THR( 3 A -24 )
LEU( 3 A -23 )
MET( 3 A -22 )
ARG( 3 A -21 )
SER( 3 A -20 )
ILE( 3 A -19 )
VAL( 3 A -18 )
ASP( 3 A -17 )
THR( 3 A -16 )
PRO( 3 A -15 )
ALA( 3 A -14 )
ALA( 3 A -13 )
GLN( 3 A -12 )
GLU( 3 A -11 )
THR( 3 A -10 )
VAL( 3 A -9 )
GLN( 3 A -8 )
LEU( 3 A -7 )
GLU( 3 A -6 )
HIS( 3 A -5 )
HIS( 3 A -4 )
HIS( 3 A -3 )
HIS( 3 A -2 )
HIS( 3 A -1 )
HIS( 3 A 0 )
MET( 4 A-141 )
ALA( 4 A-140 )
ASN( 4 A-139 )
ASP( 4 A-138 )
THR( 4 A-137 )
PRO( 4 A-136 )
PHE( 4 A-135 )
SER( 4 A-134 )
ALA( 4 A-133 )
LEU( 4 A-132 )
TRP( 4 A-131 )
GLN( 4 A-130 )
ARG( 4 A-129 )
LEU( 4 A-128 )
LEU( 4 A-127 )
THR( 4 A-126 )
ARG( 4 A-125 )
GLY( 4 A-124 )
TRP( 4 A-123 )
GLN( 4 A-122 )
PRO( 4 A-121 )
VAL( 4 A-120 )
GLU( 4 A-119 )
ALA( 4 A-118 )
SER( 4 A-117 )
THR( 4 A-116 )
VAL( 4 A-115 )
ASP( 4 A-114 )
ASP( 4 A-113 )
TRP( 4 A-112 )
ILE( 4 A-111 )
LYS( 4 A-110 )
ARG( 4 A-109 )
VAL( 4 A-108 )
GLY( 4 A-107 )
ASP( 4 A-106 )
GLY( 4 A-105 )
VAL( 4 A-104 )
ILE( 4 A-103 )
LEU( 4 A-102 )
LEU( 4 A-101 )
SER( 4 A-100 )
SER( 4 A -99 )
ASP( 4 A -98 )
PRO( 4 A -97 )
ARG( 4 A -96 )
ARG( 4 A -95 )
THR( 4 A -94 )
PRO( 4 A -93 )
GLU( 4 A -92 )
VAL( 4 A -91 )
SER( 4 A -90 )
ASP( 4 A -89 )
ASN( 4 A -88 )
PRO( 4 A -87 )
VAL( 4 A -86 )
MET( 4 A -85 )
ILE( 4 A -84 )
ALA( 4 A -83 )
GLU( 4 A -82 )
LEU( 4 A -81 )
LEU( 4 A -80 )
ARG( 4 A -79 )
GLU( 4 A -78 )
PHE( 4 A -77 )
PRO( 4 A -76 )
GLN( 4 A -75 )
PHE( 4 A -74 )
ASP( 4 A -73 )
TRP( 4 A -72 )
GLN( 4 A -71 )
VAL( 4 A -70 )
ALA( 4 A -69 )
VAL( 4 A -68 )
ALA( 4 A -67 )
ASP( 4 A -66 )
LEU( 4 A -65 )
GLU( 4 A -64 )
GLN( 4 A -63 )
SER( 4 A -62 )
GLU( 4 A -61 )
ALA( 4 A -60 )
ILE( 4 A -59 )
GLY( 4 A -58 )
ASP( 4 A -57 )
ARG( 4 A -56 )
PHE( 4 A -55 )
ASN( 4 A -54 )
VAL( 4 A -53 )
ARG( 4 A -52 )
ARG( 4 A -51 )
PHE( 4 A -50 )
PRO( 4 A -49 )
ALA( 4 A -48 )
THR( 4 A -47 )
LEU( 4 A -46 )
VAL( 4 A -45 )
PHE( 4 A -44 )
THR( 4 A -43 )
ASP( 4 A -42 )
GLY( 4 A -41 )
LYS( 4 A -40 )
LEU( 4 A -39 )
ARG( 4 A -38 )
GLY( 4 A -37 )
ALA( 4 A -36 )
LEU( 4 A -35 )
SER( 4 A -34 )
GLY( 4 A -33 )
ILE( 4 A -32 )
HIS( 4 A -31 )
PRO( 4 A -30 )
TRP( 4 A -29 )
ALA( 4 A -28 )
GLU( 4 A -27 )
LEU( 4 A -26 )
LEU( 4 A -25 )
THR( 4 A -24 )
LEU( 4 A -23 )
MET( 4 A -22 )
ARG( 4 A -21 )
SER( 4 A -20 )
ILE( 4 A -19 )
VAL( 4 A -18 )
ASP( 4 A -17 )
THR( 4 A -16 )
PRO( 4 A -15 )
ALA( 4 A -14 )
ALA( 4 A -13 )
GLN( 4 A -12 )
GLU( 4 A -11 )
THR( 4 A -10 )
VAL( 4 A -9 )
GLN( 4 A -8 )
LEU( 4 A -7 )
GLU( 4 A -6 )
HIS( 4 A -5 )
HIS( 4 A -4 )
HIS( 4 A -3 )
HIS( 4 A -2 )
HIS( 4 A -1 )
HIS( 4 A 0 )
MET( 5 A-141 )
ALA( 5 A-140 )
ASN( 5 A-139 )
ASP( 5 A-138 )
THR( 5 A-137 )
PRO( 5 A-136 )
PHE( 5 A-135 )
SER( 5 A-134 )
ALA( 5 A-133 )
LEU( 5 A-132 )
TRP( 5 A-131 )
GLN( 5 A-130 )
ARG( 5 A-129 )
LEU( 5 A-128 )
LEU( 5 A-127 )
THR( 5 A-126 )
ARG( 5 A-125 )
GLY( 5 A-124 )
TRP( 5 A-123 )
GLN( 5 A-122 )
PRO( 5 A-121 )
VAL( 5 A-120 )
GLU( 5 A-119 )
ALA( 5 A-118 )
SER( 5 A-117 )
THR( 5 A-116 )
VAL( 5 A-115 )
ASP( 5 A-114 )
ASP( 5 A-113 )
TRP( 5 A-112 )
ILE( 5 A-111 )
LYS( 5 A-110 )
ARG( 5 A-109 )
VAL( 5 A-108 )
GLY( 5 A-107 )
ASP( 5 A-106 )
GLY( 5 A-105 )
VAL( 5 A-104 )
ILE( 5 A-103 )
LEU( 5 A-102 )
LEU( 5 A-101 )
SER( 5 A-100 )
SER( 5 A -99 )
ASP( 5 A -98 )
PRO( 5 A -97 )
ARG( 5 A -96 )
ARG( 5 A -95 )
THR( 5 A -94 )
PRO( 5 A -93 )
GLU( 5 A -92 )
VAL( 5 A -91 )
SER( 5 A -90 )
ASP( 5 A -89 )
ASN( 5 A -88 )
PRO( 5 A -87 )
VAL( 5 A -86 )
MET( 5 A -85 )
ILE( 5 A -84 )
ALA( 5 A -83 )
GLU( 5 A -82 )
LEU( 5 A -81 )
LEU( 5 A -80 )
ARG( 5 A -79 )
GLU( 5 A -78 )
PHE( 5 A -77 )
PRO( 5 A -76 )
GLN( 5 A -75 )
PHE( 5 A -74 )
ASP( 5 A -73 )
TRP( 5 A -72 )
GLN( 5 A -71 )
VAL( 5 A -70 )
ALA( 5 A -69 )
VAL( 5 A -68 )
ALA( 5 A -67 )
ASP( 5 A -66 )
LEU( 5 A -65 )
GLU( 5 A -64 )
GLN( 5 A -63 )
SER( 5 A -62 )
GLU( 5 A -61 )
ALA( 5 A -60 )
ILE( 5 A -59 )
GLY( 5 A -58 )
ASP( 5 A -57 )
ARG( 5 A -56 )
PHE( 5 A -55 )
ASN( 5 A -54 )
VAL( 5 A -53 )
ARG( 5 A -52 )
ARG( 5 A -51 )
PHE( 5 A -50 )
PRO( 5 A -49 )
ALA( 5 A -48 )
THR( 5 A -47 )
LEU( 5 A -46 )
VAL( 5 A -45 )
PHE( 5 A -44 )
THR( 5 A -43 )
ASP( 5 A -42 )
GLY( 5 A -41 )
LYS( 5 A -40 )
LEU( 5 A -39 )
ARG( 5 A -38 )
GLY( 5 A -37 )
ALA( 5 A -36 )
LEU( 5 A -35 )
SER( 5 A -34 )
GLY( 5 A -33 )
ILE( 5 A -32 )
HIS( 5 A -31 )
PRO( 5 A -30 )
TRP( 5 A -29 )
ALA( 5 A -28 )
GLU( 5 A -27 )
LEU( 5 A -26 )
LEU( 5 A -25 )
THR( 5 A -24 )
LEU( 5 A -23 )
MET( 5 A -22 )
ARG( 5 A -21 )
SER( 5 A -20 )
ILE( 5 A -19 )
VAL( 5 A -18 )
ASP( 5 A -17 )
THR( 5 A -16 )
PRO( 5 A -15 )
ALA( 5 A -14 )
ALA( 5 A -13 )
GLN( 5 A -12 )
GLU( 5 A -11 )
THR( 5 A -10 )
VAL( 5 A -9 )
GLN( 5 A -8 )
LEU( 5 A -7 )
GLU( 5 A -6 )
HIS( 5 A -5 )
HIS( 5 A -4 )
HIS( 5 A -3 )
HIS( 5 A -2 )
HIS( 5 A -1 )
HIS( 5 A 0 )
MET( 6 A-141 )
ALA( 6 A-140 )
ASN( 6 A-139 )
ASP( 6 A-138 )
THR( 6 A-137 )
PRO( 6 A-136 )
PHE( 6 A-135 )
SER( 6 A-134 )
ALA( 6 A-133 )
LEU( 6 A-132 )
TRP( 6 A-131 )
GLN( 6 A-130 )
ARG( 6 A-129 )
LEU( 6 A-128 )
LEU( 6 A-127 )
THR( 6 A-126 )
ARG( 6 A-125 )
GLY( 6 A-124 )
TRP( 6 A-123 )
GLN( 6 A-122 )
PRO( 6 A-121 )
VAL( 6 A-120 )
GLU( 6 A-119 )
ALA( 6 A-118 )
SER( 6 A-117 )
THR( 6 A-116 )
VAL( 6 A-115 )
ASP( 6 A-114 )
ASP( 6 A-113 )
TRP( 6 A-112 )
ILE( 6 A-111 )
LYS( 6 A-110 )
ARG( 6 A-109 )
VAL( 6 A-108 )
GLY( 6 A-107 )
ASP( 6 A-106 )
GLY( 6 A-105 )
VAL( 6 A-104 )
ILE( 6 A-103 )
LEU( 6 A-102 )
LEU( 6 A-101 )
SER( 6 A-100 )
SER( 6 A -99 )
ASP( 6 A -98 )
PRO( 6 A -97 )
ARG( 6 A -96 )
ARG( 6 A -95 )
THR( 6 A -94 )
PRO( 6 A -93 )
GLU( 6 A -92 )
VAL( 6 A -91 )
SER( 6 A -90 )
ASP( 6 A -89 )
ASN( 6 A -88 )
PRO( 6 A -87 )
VAL( 6 A -86 )
MET( 6 A -85 )
ILE( 6 A -84 )
ALA( 6 A -83 )
GLU( 6 A -82 )
LEU( 6 A -81 )
LEU( 6 A -80 )
ARG( 6 A -79 )
GLU( 6 A -78 )
PHE( 6 A -77 )
PRO( 6 A -76 )
GLN( 6 A -75 )
PHE( 6 A -74 )
ASP( 6 A -73 )
TRP( 6 A -72 )
GLN( 6 A -71 )
VAL( 6 A -70 )
ALA( 6 A -69 )
VAL( 6 A -68 )
ALA( 6 A -67 )
ASP( 6 A -66 )
LEU( 6 A -65 )
GLU( 6 A -64 )
GLN( 6 A -63 )
SER( 6 A -62 )
GLU( 6 A -61 )
ALA( 6 A -60 )
ILE( 6 A -59 )
GLY( 6 A -58 )
ASP( 6 A -57 )
ARG( 6 A -56 )
PHE( 6 A -55 )
ASN( 6 A -54 )
VAL( 6 A -53 )
ARG( 6 A -52 )
ARG( 6 A -51 )
PHE( 6 A -50 )
PRO( 6 A -49 )
ALA( 6 A -48 )
THR( 6 A -47 )
LEU( 6 A -46 )
VAL( 6 A -45 )
PHE( 6 A -44 )
THR( 6 A -43 )
ASP( 6 A -42 )
GLY( 6 A -41 )
LYS( 6 A -40 )
LEU( 6 A -39 )
ARG( 6 A -38 )
GLY( 6 A -37 )
ALA( 6 A -36 )
LEU( 6 A -35 )
SER( 6 A -34 )
GLY( 6 A -33 )
ILE( 6 A -32 )
HIS( 6 A -31 )
PRO( 6 A -30 )
TRP( 6 A -29 )
ALA( 6 A -28 )
GLU( 6 A -27 )
LEU( 6 A -26 )
LEU( 6 A -25 )
THR( 6 A -24 )
LEU( 6 A -23 )
MET( 6 A -22 )
ARG( 6 A -21 )
SER( 6 A -20 )
ILE( 6 A -19 )
VAL( 6 A -18 )
ASP( 6 A -17 )
THR( 6 A -16 )
PRO( 6 A -15 )
ALA( 6 A -14 )
ALA( 6 A -13 )
GLN( 6 A -12 )
GLU( 6 A -11 )
THR( 6 A -10 )
VAL( 6 A -9 )
GLN( 6 A -8 )
LEU( 6 A -7 )
GLU( 6 A -6 )
HIS( 6 A -5 )
HIS( 6 A -4 )
HIS( 6 A -3 )
HIS( 6 A -2 )
HIS( 6 A -1 )
HIS( 6 A 0 )
MET( 7 A-141 )
ALA( 7 A-140 )
ASN( 7 A-139 )
ASP( 7 A-138 )
THR( 7 A-137 )
PRO( 7 A-136 )
PHE( 7 A-135 )
SER( 7 A-134 )
ALA( 7 A-133 )
LEU( 7 A-132 )
TRP( 7 A-131 )
GLN( 7 A-130 )
ARG( 7 A-129 )
LEU( 7 A-128 )
LEU( 7 A-127 )
THR( 7 A-126 )
ARG( 7 A-125 )
GLY( 7 A-124 )
TRP( 7 A-123 )
GLN( 7 A-122 )
PRO( 7 A-121 )
VAL( 7 A-120 )
GLU( 7 A-119 )
ALA( 7 A-118 )
SER( 7 A-117 )
THR( 7 A-116 )
VAL( 7 A-115 )
ASP( 7 A-114 )
ASP( 7 A-113 )
TRP( 7 A-112 )
ILE( 7 A-111 )
LYS( 7 A-110 )
ARG( 7 A-109 )
VAL( 7 A-108 )
GLY( 7 A-107 )
ASP( 7 A-106 )
GLY( 7 A-105 )
VAL( 7 A-104 )
ILE( 7 A-103 )
LEU( 7 A-102 )
LEU( 7 A-101 )
SER( 7 A-100 )
SER( 7 A -99 )
ASP( 7 A -98 )
PRO( 7 A -97 )
ARG( 7 A -96 )
ARG( 7 A -95 )
THR( 7 A -94 )
PRO( 7 A -93 )
GLU( 7 A -92 )
VAL( 7 A -91 )
SER( 7 A -90 )
ASP( 7 A -89 )
ASN( 7 A -88 )
PRO( 7 A -87 )
VAL( 7 A -86 )
MET( 7 A -85 )
ILE( 7 A -84 )
ALA( 7 A -83 )
GLU( 7 A -82 )
LEU( 7 A -81 )
LEU( 7 A -80 )
ARG( 7 A -79 )
GLU( 7 A -78 )
PHE( 7 A -77 )
PRO( 7 A -76 )
GLN( 7 A -75 )
PHE( 7 A -74 )
ASP( 7 A -73 )
TRP( 7 A -72 )
GLN( 7 A -71 )
VAL( 7 A -70 )
ALA( 7 A -69 )
VAL( 7 A -68 )
ALA( 7 A -67 )
ASP( 7 A -66 )
LEU( 7 A -65 )
GLU( 7 A -64 )
GLN( 7 A -63 )
SER( 7 A -62 )
GLU( 7 A -61 )
ALA( 7 A -60 )
ILE( 7 A -59 )
GLY( 7 A -58 )
ASP( 7 A -57 )
ARG( 7 A -56 )
PHE( 7 A -55 )
ASN( 7 A -54 )
VAL( 7 A -53 )
ARG( 7 A -52 )
ARG( 7 A -51 )
PHE( 7 A -50 )
PRO( 7 A -49 )
ALA( 7 A -48 )
THR( 7 A -47 )
LEU( 7 A -46 )
VAL( 7 A -45 )
PHE( 7 A -44 )
THR( 7 A -43 )
ASP( 7 A -42 )
GLY( 7 A -41 )
LYS( 7 A -40 )
LEU( 7 A -39 )
ARG( 7 A -38 )
GLY( 7 A -37 )
ALA( 7 A -36 )
LEU( 7 A -35 )
SER( 7 A -34 )
GLY( 7 A -33 )
ILE( 7 A -32 )
HIS( 7 A -31 )
PRO( 7 A -30 )
TRP( 7 A -29 )
ALA( 7 A -28 )
GLU( 7 A -27 )
LEU( 7 A -26 )
LEU( 7 A -25 )
THR( 7 A -24 )
LEU( 7 A -23 )
MET( 7 A -22 )
ARG( 7 A -21 )
SER( 7 A -20 )
ILE( 7 A -19 )
VAL( 7 A -18 )
ASP( 7 A -17 )
THR( 7 A -16 )
PRO( 7 A -15 )
ALA( 7 A -14 )
ALA( 7 A -13 )
GLN( 7 A -12 )
GLU( 7 A -11 )
THR( 7 A -10 )
VAL( 7 A -9 )
GLN( 7 A -8 )
LEU( 7 A -7 )
GLU( 7 A -6 )
HIS( 7 A -5 )
HIS( 7 A -4 )
HIS( 7 A -3 )
HIS( 7 A -2 )
HIS( 7 A -1 )
HIS( 7 A 0 )
MET( 8 A-141 )
ALA( 8 A-140 )
ASN( 8 A-139 )
ASP( 8 A-138 )
THR( 8 A-137 )
PRO( 8 A-136 )
PHE( 8 A-135 )
SER( 8 A-134 )
ALA( 8 A-133 )
LEU( 8 A-132 )
TRP( 8 A-131 )
GLN( 8 A-130 )
ARG( 8 A-129 )
LEU( 8 A-128 )
LEU( 8 A-127 )
THR( 8 A-126 )
ARG( 8 A-125 )
GLY( 8 A-124 )
TRP( 8 A-123 )
GLN( 8 A-122 )
PRO( 8 A-121 )
VAL( 8 A-120 )
GLU( 8 A-119 )
ALA( 8 A-118 )
SER( 8 A-117 )
THR( 8 A-116 )
VAL( 8 A-115 )
ASP( 8 A-114 )
ASP( 8 A-113 )
TRP( 8 A-112 )
ILE( 8 A-111 )
LYS( 8 A-110 )
ARG( 8 A-109 )
VAL( 8 A-108 )
GLY( 8 A-107 )
ASP( 8 A-106 )
GLY( 8 A-105 )
VAL( 8 A-104 )
ILE( 8 A-103 )
LEU( 8 A-102 )
LEU( 8 A-101 )
SER( 8 A-100 )
SER( 8 A -99 )
ASP( 8 A -98 )
PRO( 8 A -97 )
ARG( 8 A -96 )
ARG( 8 A -95 )
THR( 8 A -94 )
PRO( 8 A -93 )
GLU( 8 A -92 )
VAL( 8 A -91 )
SER( 8 A -90 )
ASP( 8 A -89 )
ASN( 8 A -88 )
PRO( 8 A -87 )
VAL( 8 A -86 )
MET( 8 A -85 )
ILE( 8 A -84 )
ALA( 8 A -83 )
GLU( 8 A -82 )
LEU( 8 A -81 )
LEU( 8 A -80 )
ARG( 8 A -79 )
GLU( 8 A -78 )
PHE( 8 A -77 )
PRO( 8 A -76 )
GLN( 8 A -75 )
PHE( 8 A -74 )
ASP( 8 A -73 )
TRP( 8 A -72 )
GLN( 8 A -71 )
VAL( 8 A -70 )
ALA( 8 A -69 )
VAL( 8 A -68 )
ALA( 8 A -67 )
ASP( 8 A -66 )
LEU( 8 A -65 )
GLU( 8 A -64 )
GLN( 8 A -63 )
SER( 8 A -62 )
GLU( 8 A -61 )
ALA( 8 A -60 )
ILE( 8 A -59 )
GLY( 8 A -58 )
ASP( 8 A -57 )
ARG( 8 A -56 )
PHE( 8 A -55 )
ASN( 8 A -54 )
VAL( 8 A -53 )
ARG( 8 A -52 )
ARG( 8 A -51 )
PHE( 8 A -50 )
PRO( 8 A -49 )
ALA( 8 A -48 )
THR( 8 A -47 )
LEU( 8 A -46 )
VAL( 8 A -45 )
PHE( 8 A -44 )
THR( 8 A -43 )
ASP( 8 A -42 )
GLY( 8 A -41 )
LYS( 8 A -40 )
LEU( 8 A -39 )
ARG( 8 A -38 )
GLY( 8 A -37 )
ALA( 8 A -36 )
LEU( 8 A -35 )
SER( 8 A -34 )
GLY( 8 A -33 )
ILE( 8 A -32 )
HIS( 8 A -31 )
PRO( 8 A -30 )
TRP( 8 A -29 )
ALA( 8 A -28 )
GLU( 8 A -27 )
LEU( 8 A -26 )
LEU( 8 A -25 )
THR( 8 A -24 )
LEU( 8 A -23 )
MET( 8 A -22 )
ARG( 8 A -21 )
SER( 8 A -20 )
ILE( 8 A -19 )
VAL( 8 A -18 )
ASP( 8 A -17 )
THR( 8 A -16 )
PRO( 8 A -15 )
ALA( 8 A -14 )
ALA( 8 A -13 )
GLN( 8 A -12 )
GLU( 8 A -11 )
THR( 8 A -10 )
VAL( 8 A -9 )
GLN( 8 A -8 )
LEU( 8 A -7 )
GLU( 8 A -6 )
HIS( 8 A -5 )
HIS( 8 A -4 )
HIS( 8 A -3 )
HIS( 8 A -2 )
HIS( 8 A -1 )
HIS( 8 A 0 )
MET( 9 A-141 )
ALA( 9 A-140 )
ASN( 9 A-139 )
ASP( 9 A-138 )
THR( 9 A-137 )
PRO( 9 A-136 )
PHE( 9 A-135 )
SER( 9 A-134 )
ALA( 9 A-133 )
LEU( 9 A-132 )
TRP( 9 A-131 )
GLN( 9 A-130 )
ARG( 9 A-129 )
LEU( 9 A-128 )
LEU( 9 A-127 )
THR( 9 A-126 )
ARG( 9 A-125 )
GLY( 9 A-124 )
TRP( 9 A-123 )
GLN( 9 A-122 )
PRO( 9 A-121 )
VAL( 9 A-120 )
GLU( 9 A-119 )
ALA( 9 A-118 )
SER( 9 A-117 )
THR( 9 A-116 )
VAL( 9 A-115 )
ASP( 9 A-114 )
ASP( 9 A-113 )
TRP( 9 A-112 )
ILE( 9 A-111 )
LYS( 9 A-110 )
ARG( 9 A-109 )
VAL( 9 A-108 )
GLY( 9 A-107 )
ASP( 9 A-106 )
GLY( 9 A-105 )
VAL( 9 A-104 )
ILE( 9 A-103 )
LEU( 9 A-102 )
LEU( 9 A-101 )
SER( 9 A-100 )
SER( 9 A -99 )
ASP( 9 A -98 )
PRO( 9 A -97 )
ARG( 9 A -96 )
ARG( 9 A -95 )
THR( 9 A -94 )
PRO( 9 A -93 )
GLU( 9 A -92 )
VAL( 9 A -91 )
SER( 9 A -90 )
ASP( 9 A -89 )
ASN( 9 A -88 )
PRO( 9 A -87 )
VAL( 9 A -86 )
MET( 9 A -85 )
ILE( 9 A -84 )
ALA( 9 A -83 )
GLU( 9 A -82 )
LEU( 9 A -81 )
LEU( 9 A -80 )
ARG( 9 A -79 )
GLU( 9 A -78 )
PHE( 9 A -77 )
PRO( 9 A -76 )
GLN( 9 A -75 )
PHE( 9 A -74 )
ASP( 9 A -73 )
TRP( 9 A -72 )
GLN( 9 A -71 )
VAL( 9 A -70 )
ALA( 9 A -69 )
VAL( 9 A -68 )
ALA( 9 A -67 )
ASP( 9 A -66 )
LEU( 9 A -65 )
GLU( 9 A -64 )
GLN( 9 A -63 )
SER( 9 A -62 )
GLU( 9 A -61 )
ALA( 9 A -60 )
ILE( 9 A -59 )
GLY( 9 A -58 )
ASP( 9 A -57 )
ARG( 9 A -56 )
PHE( 9 A -55 )
ASN( 9 A -54 )
VAL( 9 A -53 )
ARG( 9 A -52 )
ARG( 9 A -51 )
PHE( 9 A -50 )
PRO( 9 A -49 )
ALA( 9 A -48 )
THR( 9 A -47 )
LEU( 9 A -46 )
VAL( 9 A -45 )
PHE( 9 A -44 )
THR( 9 A -43 )
ASP( 9 A -42 )
GLY( 9 A -41 )
LYS( 9 A -40 )
LEU( 9 A -39 )
ARG( 9 A -38 )
GLY( 9 A -37 )
ALA( 9 A -36 )
LEU( 9 A -35 )
SER( 9 A -34 )
GLY( 9 A -33 )
ILE( 9 A -32 )
HIS( 9 A -31 )
PRO( 9 A -30 )
TRP( 9 A -29 )
ALA( 9 A -28 )
GLU( 9 A -27 )
LEU( 9 A -26 )
LEU( 9 A -25 )
THR( 9 A -24 )
LEU( 9 A -23 )
MET( 9 A -22 )
ARG( 9 A -21 )
SER( 9 A -20 )
ILE( 9 A -19 )
VAL( 9 A -18 )
ASP( 9 A -17 )
THR( 9 A -16 )
PRO( 9 A -15 )
ALA( 9 A -14 )
ALA( 9 A -13 )
GLN( 9 A -12 )
GLU( 9 A -11 )
THR( 9 A -10 )
VAL( 9 A -9 )
GLN( 9 A -8 )
LEU( 9 A -7 )
GLU( 9 A -6 )
HIS( 9 A -5 )
HIS( 9 A -4 )
HIS( 9 A -3 )
HIS( 9 A -2 )
HIS( 9 A -1 )
HIS( 9 A 0 )
MET( 10 A-141 )
ALA( 10 A-140 )
ASN( 10 A-139 )
ASP( 10 A-138 )
THR( 10 A-137 )
PRO( 10 A-136 )
PHE( 10 A-135 )
SER( 10 A-134 )
ALA( 10 A-133 )
LEU( 10 A-132 )
TRP( 10 A-131 )
GLN( 10 A-130 )
ARG( 10 A-129 )
LEU( 10 A-128 )
LEU( 10 A-127 )
THR( 10 A-126 )
ARG( 10 A-125 )
GLY( 10 A-124 )
TRP( 10 A-123 )
GLN( 10 A-122 )
PRO( 10 A-121 )
VAL( 10 A-120 )
GLU( 10 A-119 )
ALA( 10 A-118 )
SER( 10 A-117 )
THR( 10 A-116 )
VAL( 10 A-115 )
ASP( 10 A-114 )
ASP( 10 A-113 )
TRP( 10 A-112 )
ILE( 10 A-111 )
LYS( 10 A-110 )
ARG( 10 A-109 )
VAL( 10 A-108 )
GLY( 10 A-107 )
ASP( 10 A-106 )
GLY( 10 A-105 )
VAL( 10 A-104 )
ILE( 10 A-103 )
LEU( 10 A-102 )
LEU( 10 A-101 )
SER( 10 A-100 )
SER( 10 A -99 )
ASP( 10 A -98 )
PRO( 10 A -97 )
ARG( 10 A -96 )
ARG( 10 A -95 )
THR( 10 A -94 )
PRO( 10 A -93 )
GLU( 10 A -92 )
VAL( 10 A -91 )
SER( 10 A -90 )
ASP( 10 A -89 )
ASN( 10 A -88 )
PRO( 10 A -87 )
VAL( 10 A -86 )
MET( 10 A -85 )
ILE( 10 A -84 )
ALA( 10 A -83 )
GLU( 10 A -82 )
LEU( 10 A -81 )
LEU( 10 A -80 )
ARG( 10 A -79 )
GLU( 10 A -78 )
PHE( 10 A -77 )
PRO( 10 A -76 )
GLN( 10 A -75 )
PHE( 10 A -74 )
ASP( 10 A -73 )
TRP( 10 A -72 )
GLN( 10 A -71 )
VAL( 10 A -70 )
ALA( 10 A -69 )
VAL( 10 A -68 )
ALA( 10 A -67 )
ASP( 10 A -66 )
LEU( 10 A -65 )
GLU( 10 A -64 )
GLN( 10 A -63 )
SER( 10 A -62 )
GLU( 10 A -61 )
ALA( 10 A -60 )
ILE( 10 A -59 )
GLY( 10 A -58 )
ASP( 10 A -57 )
ARG( 10 A -56 )
PHE( 10 A -55 )
ASN( 10 A -54 )
VAL( 10 A -53 )
ARG( 10 A -52 )
ARG( 10 A -51 )
PHE( 10 A -50 )
PRO( 10 A -49 )
ALA( 10 A -48 )
THR( 10 A -47 )
LEU( 10 A -46 )
VAL( 10 A -45 )
PHE( 10 A -44 )
THR( 10 A -43 )
ASP( 10 A -42 )
GLY( 10 A -41 )
LYS( 10 A -40 )
LEU( 10 A -39 )
ARG( 10 A -38 )
GLY( 10 A -37 )
ALA( 10 A -36 )
LEU( 10 A -35 )
SER( 10 A -34 )
GLY( 10 A -33 )
ILE( 10 A -32 )
HIS( 10 A -31 )
PRO( 10 A -30 )
TRP( 10 A -29 )
ALA( 10 A -28 )
GLU( 10 A -27 )
LEU( 10 A -26 )
LEU( 10 A -25 )
THR( 10 A -24 )
LEU( 10 A -23 )
MET( 10 A -22 )
ARG( 10 A -21 )
SER( 10 A -20 )
ILE( 10 A -19 )
VAL( 10 A -18 )
ASP( 10 A -17 )
THR( 10 A -16 )
PRO( 10 A -15 )
ALA( 10 A -14 )
ALA( 10 A -13 )
GLN( 10 A -12 )
GLU( 10 A -11 )
THR( 10 A -10 )
VAL( 10 A -9 )
GLN( 10 A -8 )
LEU( 10 A -7 )
GLU( 10 A -6 )
HIS( 10 A -5 )
HIS( 10 A -4 )
HIS( 10 A -3 )
HIS( 10 A -2 )
HIS( 10 A -1 )
HIS( 10 A 0 )
MET( 11 A-141 )
ALA( 11 A-140 )
ASN( 11 A-139 )
ASP( 11 A-138 )
THR( 11 A-137 )
PRO( 11 A-136 )
PHE( 11 A-135 )
SER( 11 A-134 )
ALA( 11 A-133 )
LEU( 11 A-132 )
TRP( 11 A-131 )
GLN( 11 A-130 )
ARG( 11 A-129 )
LEU( 11 A-128 )
LEU( 11 A-127 )
THR( 11 A-126 )
ARG( 11 A-125 )
GLY( 11 A-124 )
TRP( 11 A-123 )
GLN( 11 A-122 )
PRO( 11 A-121 )
VAL( 11 A-120 )
GLU( 11 A-119 )
ALA( 11 A-118 )
SER( 11 A-117 )
THR( 11 A-116 )
VAL( 11 A-115 )
ASP( 11 A-114 )
ASP( 11 A-113 )
TRP( 11 A-112 )
ILE( 11 A-111 )
LYS( 11 A-110 )
ARG( 11 A-109 )
VAL( 11 A-108 )
GLY( 11 A-107 )
ASP( 11 A-106 )
GLY( 11 A-105 )
VAL( 11 A-104 )
ILE( 11 A-103 )
LEU( 11 A-102 )
LEU( 11 A-101 )
SER( 11 A-100 )
SER( 11 A -99 )
ASP( 11 A -98 )
PRO( 11 A -97 )
ARG( 11 A -96 )
ARG( 11 A -95 )
THR( 11 A -94 )
PRO( 11 A -93 )
GLU( 11 A -92 )
VAL( 11 A -91 )
SER( 11 A -90 )
ASP( 11 A -89 )
ASN( 11 A -88 )
PRO( 11 A -87 )
VAL( 11 A -86 )
MET( 11 A -85 )
ILE( 11 A -84 )
ALA( 11 A -83 )
GLU( 11 A -82 )
LEU( 11 A -81 )
LEU( 11 A -80 )
ARG( 11 A -79 )
GLU( 11 A -78 )
PHE( 11 A -77 )
PRO( 11 A -76 )
GLN( 11 A -75 )
PHE( 11 A -74 )
ASP( 11 A -73 )
TRP( 11 A -72 )
GLN( 11 A -71 )
VAL( 11 A -70 )
ALA( 11 A -69 )
VAL( 11 A -68 )
ALA( 11 A -67 )
ASP( 11 A -66 )
LEU( 11 A -65 )
GLU( 11 A -64 )
GLN( 11 A -63 )
SER( 11 A -62 )
GLU( 11 A -61 )
ALA( 11 A -60 )
ILE( 11 A -59 )
GLY( 11 A -58 )
ASP( 11 A -57 )
ARG( 11 A -56 )
PHE( 11 A -55 )
ASN( 11 A -54 )
VAL( 11 A -53 )
ARG( 11 A -52 )
ARG( 11 A -51 )
PHE( 11 A -50 )
PRO( 11 A -49 )
ALA( 11 A -48 )
THR( 11 A -47 )
LEU( 11 A -46 )
VAL( 11 A -45 )
PHE( 11 A -44 )
THR( 11 A -43 )
ASP( 11 A -42 )
GLY( 11 A -41 )
LYS( 11 A -40 )
LEU( 11 A -39 )
ARG( 11 A -38 )
GLY( 11 A -37 )
ALA( 11 A -36 )
LEU( 11 A -35 )
SER( 11 A -34 )
GLY( 11 A -33 )
ILE( 11 A -32 )
HIS( 11 A -31 )
PRO( 11 A -30 )
TRP( 11 A -29 )
ALA( 11 A -28 )
GLU( 11 A -27 )
LEU( 11 A -26 )
LEU( 11 A -25 )
THR( 11 A -24 )
LEU( 11 A -23 )
MET( 11 A -22 )
ARG( 11 A -21 )
SER( 11 A -20 )
ILE( 11 A -19 )
VAL( 11 A -18 )
ASP( 11 A -17 )
THR( 11 A -16 )
PRO( 11 A -15 )
ALA( 11 A -14 )
ALA( 11 A -13 )
GLN( 11 A -12 )
GLU( 11 A -11 )
THR( 11 A -10 )
VAL( 11 A -9 )
GLN( 11 A -8 )
LEU( 11 A -7 )
GLU( 11 A -6 )
HIS( 11 A -5 )
HIS( 11 A -4 )
HIS( 11 A -3 )
HIS( 11 A -2 )
HIS( 11 A -1 )
HIS( 11 A 0 )
MET( 12 A-141 )
ALA( 12 A-140 )
ASN( 12 A-139 )
ASP( 12 A-138 )
THR( 12 A-137 )
PRO( 12 A-136 )
PHE( 12 A-135 )
SER( 12 A-134 )
ALA( 12 A-133 )
LEU( 12 A-132 )
TRP( 12 A-131 )
GLN( 12 A-130 )
ARG( 12 A-129 )
LEU( 12 A-128 )
LEU( 12 A-127 )
THR( 12 A-126 )
ARG( 12 A-125 )
GLY( 12 A-124 )
TRP( 12 A-123 )
GLN( 12 A-122 )
PRO( 12 A-121 )
VAL( 12 A-120 )
GLU( 12 A-119 )
ALA( 12 A-118 )
SER( 12 A-117 )
THR( 12 A-116 )
VAL( 12 A-115 )
ASP( 12 A-114 )
ASP( 12 A-113 )
TRP( 12 A-112 )
ILE( 12 A-111 )
LYS( 12 A-110 )
ARG( 12 A-109 )
VAL( 12 A-108 )
GLY( 12 A-107 )
ASP( 12 A-106 )
GLY( 12 A-105 )
VAL( 12 A-104 )
ILE( 12 A-103 )
LEU( 12 A-102 )
LEU( 12 A-101 )
SER( 12 A-100 )
SER( 12 A -99 )
ASP( 12 A -98 )
PRO( 12 A -97 )
ARG( 12 A -96 )
ARG( 12 A -95 )
THR( 12 A -94 )
PRO( 12 A -93 )
GLU( 12 A -92 )
VAL( 12 A -91 )
SER( 12 A -90 )
ASP( 12 A -89 )
ASN( 12 A -88 )
PRO( 12 A -87 )
VAL( 12 A -86 )
MET( 12 A -85 )
ILE( 12 A -84 )
ALA( 12 A -83 )
GLU( 12 A -82 )
LEU( 12 A -81 )
LEU( 12 A -80 )
ARG( 12 A -79 )
GLU( 12 A -78 )
PHE( 12 A -77 )
PRO( 12 A -76 )
GLN( 12 A -75 )
PHE( 12 A -74 )
ASP( 12 A -73 )
TRP( 12 A -72 )
GLN( 12 A -71 )
VAL( 12 A -70 )
ALA( 12 A -69 )
VAL( 12 A -68 )
ALA( 12 A -67 )
ASP( 12 A -66 )
LEU( 12 A -65 )
GLU( 12 A -64 )
GLN( 12 A -63 )
SER( 12 A -62 )
GLU( 12 A -61 )
ALA( 12 A -60 )
ILE( 12 A -59 )
GLY( 12 A -58 )
ASP( 12 A -57 )
ARG( 12 A -56 )
PHE( 12 A -55 )
ASN( 12 A -54 )
VAL( 12 A -53 )
ARG( 12 A -52 )
ARG( 12 A -51 )
PHE( 12 A -50 )
PRO( 12 A -49 )
ALA( 12 A -48 )
THR( 12 A -47 )
LEU( 12 A -46 )
VAL( 12 A -45 )
PHE( 12 A -44 )
THR( 12 A -43 )
ASP( 12 A -42 )
GLY( 12 A -41 )
LYS( 12 A -40 )
LEU( 12 A -39 )
ARG( 12 A -38 )
GLY( 12 A -37 )
ALA( 12 A -36 )
LEU( 12 A -35 )
SER( 12 A -34 )
GLY( 12 A -33 )
ILE( 12 A -32 )
HIS( 12 A -31 )
PRO( 12 A -30 )
TRP( 12 A -29 )
ALA( 12 A -28 )
GLU( 12 A -27 )
LEU( 12 A -26 )
LEU( 12 A -25 )
THR( 12 A -24 )
LEU( 12 A -23 )
MET( 12 A -22 )
ARG( 12 A -21 )
SER( 12 A -20 )
ILE( 12 A -19 )
VAL( 12 A -18 )
ASP( 12 A -17 )
THR( 12 A -16 )
PRO( 12 A -15 )
ALA( 12 A -14 )
ALA( 12 A -13 )
GLN( 12 A -12 )
GLU( 12 A -11 )
THR( 12 A -10 )
VAL( 12 A -9 )
GLN( 12 A -8 )
LEU( 12 A -7 )
GLU( 12 A -6 )
HIS( 12 A -5 )
HIS( 12 A -4 )
HIS( 12 A -3 )
HIS( 12 A -2 )
HIS( 12 A -1 )
HIS( 12 A 0 )
MET( 13 A-141 )
ALA( 13 A-140 )
ASN( 13 A-139 )
ASP( 13 A-138 )
THR( 13 A-137 )
PRO( 13 A-136 )
PHE( 13 A-135 )
SER( 13 A-134 )
ALA( 13 A-133 )
LEU( 13 A-132 )
TRP( 13 A-131 )
GLN( 13 A-130 )
ARG( 13 A-129 )
LEU( 13 A-128 )
LEU( 13 A-127 )
THR( 13 A-126 )
ARG( 13 A-125 )
GLY( 13 A-124 )
TRP( 13 A-123 )
GLN( 13 A-122 )
PRO( 13 A-121 )
VAL( 13 A-120 )
GLU( 13 A-119 )
ALA( 13 A-118 )
SER( 13 A-117 )
THR( 13 A-116 )
VAL( 13 A-115 )
ASP( 13 A-114 )
ASP( 13 A-113 )
TRP( 13 A-112 )
ILE( 13 A-111 )
LYS( 13 A-110 )
ARG( 13 A-109 )
VAL( 13 A-108 )
GLY( 13 A-107 )
ASP( 13 A-106 )
GLY( 13 A-105 )
VAL( 13 A-104 )
ILE( 13 A-103 )
LEU( 13 A-102 )
LEU( 13 A-101 )
SER( 13 A-100 )
SER( 13 A -99 )
ASP( 13 A -98 )
PRO( 13 A -97 )
ARG( 13 A -96 )
ARG( 13 A -95 )
THR( 13 A -94 )
PRO( 13 A -93 )
GLU( 13 A -92 )
VAL( 13 A -91 )
SER( 13 A -90 )
ASP( 13 A -89 )
ASN( 13 A -88 )
PRO( 13 A -87 )
VAL( 13 A -86 )
MET( 13 A -85 )
ILE( 13 A -84 )
ALA( 13 A -83 )
GLU( 13 A -82 )
LEU( 13 A -81 )
LEU( 13 A -80 )
ARG( 13 A -79 )
GLU( 13 A -78 )
PHE( 13 A -77 )
PRO( 13 A -76 )
GLN( 13 A -75 )
PHE( 13 A -74 )
ASP( 13 A -73 )
TRP( 13 A -72 )
GLN( 13 A -71 )
VAL( 13 A -70 )
ALA( 13 A -69 )
VAL( 13 A -68 )
ALA( 13 A -67 )
ASP( 13 A -66 )
LEU( 13 A -65 )
GLU( 13 A -64 )
GLN( 13 A -63 )
SER( 13 A -62 )
GLU( 13 A -61 )
ALA( 13 A -60 )
ILE( 13 A -59 )
GLY( 13 A -58 )
ASP( 13 A -57 )
ARG( 13 A -56 )
PHE( 13 A -55 )
ASN( 13 A -54 )
VAL( 13 A -53 )
ARG( 13 A -52 )
ARG( 13 A -51 )
PHE( 13 A -50 )
PRO( 13 A -49 )
ALA( 13 A -48 )
THR( 13 A -47 )
LEU( 13 A -46 )
VAL( 13 A -45 )
PHE( 13 A -44 )
THR( 13 A -43 )
ASP( 13 A -42 )
GLY( 13 A -41 )
LYS( 13 A -40 )
LEU( 13 A -39 )
ARG( 13 A -38 )
GLY( 13 A -37 )
ALA( 13 A -36 )
LEU( 13 A -35 )
SER( 13 A -34 )
GLY( 13 A -33 )
ILE( 13 A -32 )
HIS( 13 A -31 )
PRO( 13 A -30 )
TRP( 13 A -29 )
ALA( 13 A -28 )
GLU( 13 A -27 )
LEU( 13 A -26 )
LEU( 13 A -25 )
THR( 13 A -24 )
LEU( 13 A -23 )
MET( 13 A -22 )
ARG( 13 A -21 )
SER( 13 A -20 )
ILE( 13 A -19 )
VAL( 13 A -18 )
ASP( 13 A -17 )
THR( 13 A -16 )
PRO( 13 A -15 )
ALA( 13 A -14 )
ALA( 13 A -13 )
GLN( 13 A -12 )
GLU( 13 A -11 )
THR( 13 A -10 )
VAL( 13 A -9 )
GLN( 13 A -8 )
LEU( 13 A -7 )
GLU( 13 A -6 )
HIS( 13 A -5 )
HIS( 13 A -4 )
HIS( 13 A -3 )
HIS( 13 A -2 )
HIS( 13 A -1 )
HIS( 13 A 0 )
MET( 14 A-141 )
ALA( 14 A-140 )
ASN( 14 A-139 )
ASP( 14 A-138 )
THR( 14 A-137 )
PRO( 14 A-136 )
PHE( 14 A-135 )
SER( 14 A-134 )
ALA( 14 A-133 )
LEU( 14 A-132 )
TRP( 14 A-131 )
GLN( 14 A-130 )
ARG( 14 A-129 )
LEU( 14 A-128 )
LEU( 14 A-127 )
THR( 14 A-126 )
ARG( 14 A-125 )
GLY( 14 A-124 )
TRP( 14 A-123 )
GLN( 14 A-122 )
PRO( 14 A-121 )
VAL( 14 A-120 )
GLU( 14 A-119 )
ALA( 14 A-118 )
SER( 14 A-117 )
THR( 14 A-116 )
VAL( 14 A-115 )
ASP( 14 A-114 )
ASP( 14 A-113 )
TRP( 14 A-112 )
ILE( 14 A-111 )
LYS( 14 A-110 )
ARG( 14 A-109 )
VAL( 14 A-108 )
GLY( 14 A-107 )
ASP( 14 A-106 )
GLY( 14 A-105 )
VAL( 14 A-104 )
ILE( 14 A-103 )
LEU( 14 A-102 )
LEU( 14 A-101 )
SER( 14 A-100 )
SER( 14 A -99 )
ASP( 14 A -98 )
PRO( 14 A -97 )
ARG( 14 A -96 )
ARG( 14 A -95 )
THR( 14 A -94 )
PRO( 14 A -93 )
GLU( 14 A -92 )
VAL( 14 A -91 )
SER( 14 A -90 )
ASP( 14 A -89 )
ASN( 14 A -88 )
PRO( 14 A -87 )
VAL( 14 A -86 )
MET( 14 A -85 )
ILE( 14 A -84 )
ALA( 14 A -83 )
GLU( 14 A -82 )
LEU( 14 A -81 )
LEU( 14 A -80 )
ARG( 14 A -79 )
GLU( 14 A -78 )
PHE( 14 A -77 )
PRO( 14 A -76 )
GLN( 14 A -75 )
PHE( 14 A -74 )
ASP( 14 A -73 )
TRP( 14 A -72 )
GLN( 14 A -71 )
VAL( 14 A -70 )
ALA( 14 A -69 )
VAL( 14 A -68 )
ALA( 14 A -67 )
ASP( 14 A -66 )
LEU( 14 A -65 )
GLU( 14 A -64 )
GLN( 14 A -63 )
SER( 14 A -62 )
GLU( 14 A -61 )
ALA( 14 A -60 )
ILE( 14 A -59 )
GLY( 14 A -58 )
ASP( 14 A -57 )
ARG( 14 A -56 )
PHE( 14 A -55 )
ASN( 14 A -54 )
VAL( 14 A -53 )
ARG( 14 A -52 )
ARG( 14 A -51 )
PHE( 14 A -50 )
PRO( 14 A -49 )
ALA( 14 A -48 )
THR( 14 A -47 )
LEU( 14 A -46 )
VAL( 14 A -45 )
PHE( 14 A -44 )
THR( 14 A -43 )
ASP( 14 A -42 )
GLY( 14 A -41 )
LYS( 14 A -40 )
LEU( 14 A -39 )
ARG( 14 A -38 )
GLY( 14 A -37 )
ALA( 14 A -36 )
LEU( 14 A -35 )
SER( 14 A -34 )
GLY( 14 A -33 )
ILE( 14 A -32 )
HIS( 14 A -31 )
PRO( 14 A -30 )
TRP( 14 A -29 )
ALA( 14 A -28 )
GLU( 14 A -27 )
LEU( 14 A -26 )
LEU( 14 A -25 )
THR( 14 A -24 )
LEU( 14 A -23 )
MET( 14 A -22 )
ARG( 14 A -21 )
SER( 14 A -20 )
ILE( 14 A -19 )
VAL( 14 A -18 )
ASP( 14 A -17 )
THR( 14 A -16 )
PRO( 14 A -15 )
ALA( 14 A -14 )
ALA( 14 A -13 )
GLN( 14 A -12 )
GLU( 14 A -11 )
THR( 14 A -10 )
VAL( 14 A -9 )
GLN( 14 A -8 )
LEU( 14 A -7 )
GLU( 14 A -6 )
HIS( 14 A -5 )
HIS( 14 A -4 )
HIS( 14 A -3 )
HIS( 14 A -2 )
HIS( 14 A -1 )
HIS( 14 A 0 )
MET( 15 A-141 )
ALA( 15 A-140 )
ASN( 15 A-139 )
ASP( 15 A-138 )
THR( 15 A-137 )
PRO( 15 A-136 )
PHE( 15 A-135 )
SER( 15 A-134 )
ALA( 15 A-133 )
LEU( 15 A-132 )
TRP( 15 A-131 )
GLN( 15 A-130 )
ARG( 15 A-129 )
LEU( 15 A-128 )
LEU( 15 A-127 )
THR( 15 A-126 )
ARG( 15 A-125 )
GLY( 15 A-124 )
TRP( 15 A-123 )
GLN( 15 A-122 )
PRO( 15 A-121 )
VAL( 15 A-120 )
GLU( 15 A-119 )
ALA( 15 A-118 )
SER( 15 A-117 )
THR( 15 A-116 )
VAL( 15 A-115 )
ASP( 15 A-114 )
ASP( 15 A-113 )
TRP( 15 A-112 )
ILE( 15 A-111 )
LYS( 15 A-110 )
ARG( 15 A-109 )
VAL( 15 A-108 )
GLY( 15 A-107 )
ASP( 15 A-106 )
GLY( 15 A-105 )
VAL( 15 A-104 )
ILE( 15 A-103 )
LEU( 15 A-102 )
LEU( 15 A-101 )
SER( 15 A-100 )
SER( 15 A -99 )
ASP( 15 A -98 )
PRO( 15 A -97 )
ARG( 15 A -96 )
ARG( 15 A -95 )
THR( 15 A -94 )
PRO( 15 A -93 )
GLU( 15 A -92 )
VAL( 15 A -91 )
SER( 15 A -90 )
ASP( 15 A -89 )
ASN( 15 A -88 )
PRO( 15 A -87 )
VAL( 15 A -86 )
MET( 15 A -85 )
ILE( 15 A -84 )
ALA( 15 A -83 )
GLU( 15 A -82 )
LEU( 15 A -81 )
LEU( 15 A -80 )
ARG( 15 A -79 )
GLU( 15 A -78 )
PHE( 15 A -77 )
PRO( 15 A -76 )
GLN( 15 A -75 )
PHE( 15 A -74 )
ASP( 15 A -73 )
TRP( 15 A -72 )
GLN( 15 A -71 )
VAL( 15 A -70 )
ALA( 15 A -69 )
VAL( 15 A -68 )
ALA( 15 A -67 )
ASP( 15 A -66 )
LEU( 15 A -65 )
GLU( 15 A -64 )
GLN( 15 A -63 )
SER( 15 A -62 )
GLU( 15 A -61 )
ALA( 15 A -60 )
ILE( 15 A -59 )
GLY( 15 A -58 )
ASP( 15 A -57 )
ARG( 15 A -56 )
PHE( 15 A -55 )
ASN( 15 A -54 )
VAL( 15 A -53 )
ARG( 15 A -52 )
ARG( 15 A -51 )
PHE( 15 A -50 )
PRO( 15 A -49 )
ALA( 15 A -48 )
THR( 15 A -47 )
LEU( 15 A -46 )
VAL( 15 A -45 )
PHE( 15 A -44 )
THR( 15 A -43 )
ASP( 15 A -42 )
GLY( 15 A -41 )
LYS( 15 A -40 )
LEU( 15 A -39 )
ARG( 15 A -38 )
GLY( 15 A -37 )
ALA( 15 A -36 )
LEU( 15 A -35 )
SER( 15 A -34 )
GLY( 15 A -33 )
ILE( 15 A -32 )
HIS( 15 A -31 )
PRO( 15 A -30 )
TRP( 15 A -29 )
ALA( 15 A -28 )
GLU( 15 A -27 )
LEU( 15 A -26 )
LEU( 15 A -25 )
THR( 15 A -24 )
LEU( 15 A -23 )
MET( 15 A -22 )
ARG( 15 A -21 )
SER( 15 A -20 )
ILE( 15 A -19 )
VAL( 15 A -18 )
ASP( 15 A -17 )
THR( 15 A -16 )
PRO( 15 A -15 )
ALA( 15 A -14 )
ALA( 15 A -13 )
GLN( 15 A -12 )
GLU( 15 A -11 )
THR( 15 A -10 )
VAL( 15 A -9 )
GLN( 15 A -8 )
LEU( 15 A -7 )
GLU( 15 A -6 )
HIS( 15 A -5 )
HIS( 15 A -4 )
HIS( 15 A -3 )
HIS( 15 A -2 )
HIS( 15 A -1 )
HIS( 15 A 0 )
MET( 16 A-141 )
ALA( 16 A-140 )
ASN( 16 A-139 )
ASP( 16 A-138 )
THR( 16 A-137 )
PRO( 16 A-136 )
PHE( 16 A-135 )
SER( 16 A-134 )
ALA( 16 A-133 )
LEU( 16 A-132 )
TRP( 16 A-131 )
GLN( 16 A-130 )
ARG( 16 A-129 )
LEU( 16 A-128 )
LEU( 16 A-127 )
THR( 16 A-126 )
ARG( 16 A-125 )
GLY( 16 A-124 )
TRP( 16 A-123 )
GLN( 16 A-122 )
PRO( 16 A-121 )
VAL( 16 A-120 )
GLU( 16 A-119 )
ALA( 16 A-118 )
SER( 16 A-117 )
THR( 16 A-116 )
VAL( 16 A-115 )
ASP( 16 A-114 )
ASP( 16 A-113 )
TRP( 16 A-112 )
ILE( 16 A-111 )
LYS( 16 A-110 )
ARG( 16 A-109 )
VAL( 16 A-108 )
GLY( 16 A-107 )
ASP( 16 A-106 )
GLY( 16 A-105 )
VAL( 16 A-104 )
ILE( 16 A-103 )
LEU( 16 A-102 )
LEU( 16 A-101 )
SER( 16 A-100 )
SER( 16 A -99 )
ASP( 16 A -98 )
PRO( 16 A -97 )
ARG( 16 A -96 )
ARG( 16 A -95 )
THR( 16 A -94 )
PRO( 16 A -93 )
GLU( 16 A -92 )
VAL( 16 A -91 )
SER( 16 A -90 )
ASP( 16 A -89 )
ASN( 16 A -88 )
PRO( 16 A -87 )
VAL( 16 A -86 )
MET( 16 A -85 )
ILE( 16 A -84 )
ALA( 16 A -83 )
GLU( 16 A -82 )
LEU( 16 A -81 )
LEU( 16 A -80 )
ARG( 16 A -79 )
GLU( 16 A -78 )
PHE( 16 A -77 )
PRO( 16 A -76 )
GLN( 16 A -75 )
PHE( 16 A -74 )
ASP( 16 A -73 )
TRP( 16 A -72 )
GLN( 16 A -71 )
VAL( 16 A -70 )
ALA( 16 A -69 )
VAL( 16 A -68 )
ALA( 16 A -67 )
ASP( 16 A -66 )
LEU( 16 A -65 )
GLU( 16 A -64 )
GLN( 16 A -63 )
SER( 16 A -62 )
GLU( 16 A -61 )
ALA( 16 A -60 )
ILE( 16 A -59 )
GLY( 16 A -58 )
ASP( 16 A -57 )
ARG( 16 A -56 )
PHE( 16 A -55 )
ASN( 16 A -54 )
VAL( 16 A -53 )
ARG( 16 A -52 )
ARG( 16 A -51 )
PHE( 16 A -50 )
PRO( 16 A -49 )
ALA( 16 A -48 )
THR( 16 A -47 )
LEU( 16 A -46 )
VAL( 16 A -45 )
PHE( 16 A -44 )
THR( 16 A -43 )
ASP( 16 A -42 )
GLY( 16 A -41 )
LYS( 16 A -40 )
LEU( 16 A -39 )
ARG( 16 A -38 )
GLY( 16 A -37 )
ALA( 16 A -36 )
LEU( 16 A -35 )
SER( 16 A -34 )
GLY( 16 A -33 )
ILE( 16 A -32 )
HIS( 16 A -31 )
PRO( 16 A -30 )
TRP( 16 A -29 )
ALA( 16 A -28 )
GLU( 16 A -27 )
LEU( 16 A -26 )
LEU( 16 A -25 )
THR( 16 A -24 )
LEU( 16 A -23 )
MET( 16 A -22 )
ARG( 16 A -21 )
SER( 16 A -20 )
ILE( 16 A -19 )
VAL( 16 A -18 )
ASP( 16 A -17 )
THR( 16 A -16 )
PRO( 16 A -15 )
ALA( 16 A -14 )
ALA( 16 A -13 )
GLN( 16 A -12 )
GLU( 16 A -11 )
THR( 16 A -10 )
VAL( 16 A -9 )
GLN( 16 A -8 )
LEU( 16 A -7 )
GLU( 16 A -6 )
HIS( 16 A -5 )
HIS( 16 A -4 )
HIS( 16 A -3 )
HIS( 16 A -2 )
HIS( 16 A -1 )
HIS( 16 A 0 )
MET( 17 A-141 )
ALA( 17 A-140 )
ASN( 17 A-139 )
ASP( 17 A-138 )
THR( 17 A-137 )
PRO( 17 A-136 )
PHE( 17 A-135 )
SER( 17 A-134 )
ALA( 17 A-133 )
LEU( 17 A-132 )
TRP( 17 A-131 )
GLN( 17 A-130 )
ARG( 17 A-129 )
LEU( 17 A-128 )
LEU( 17 A-127 )
THR( 17 A-126 )
ARG( 17 A-125 )
GLY( 17 A-124 )
TRP( 17 A-123 )
GLN( 17 A-122 )
PRO( 17 A-121 )
VAL( 17 A-120 )
GLU( 17 A-119 )
ALA( 17 A-118 )
SER( 17 A-117 )
THR( 17 A-116 )
VAL( 17 A-115 )
ASP( 17 A-114 )
ASP( 17 A-113 )
TRP( 17 A-112 )
ILE( 17 A-111 )
LYS( 17 A-110 )
ARG( 17 A-109 )
VAL( 17 A-108 )
GLY( 17 A-107 )
ASP( 17 A-106 )
GLY( 17 A-105 )
VAL( 17 A-104 )
ILE( 17 A-103 )
LEU( 17 A-102 )
LEU( 17 A-101 )
SER( 17 A-100 )
SER( 17 A -99 )
ASP( 17 A -98 )
PRO( 17 A -97 )
ARG( 17 A -96 )
ARG( 17 A -95 )
THR( 17 A -94 )
PRO( 17 A -93 )
GLU( 17 A -92 )
VAL( 17 A -91 )
SER( 17 A -90 )
ASP( 17 A -89 )
ASN( 17 A -88 )
PRO( 17 A -87 )
VAL( 17 A -86 )
MET( 17 A -85 )
ILE( 17 A -84 )
ALA( 17 A -83 )
GLU( 17 A -82 )
LEU( 17 A -81 )
LEU( 17 A -80 )
ARG( 17 A -79 )
GLU( 17 A -78 )
PHE( 17 A -77 )
PRO( 17 A -76 )
GLN( 17 A -75 )
PHE( 17 A -74 )
ASP( 17 A -73 )
TRP( 17 A -72 )
GLN( 17 A -71 )
VAL( 17 A -70 )
ALA( 17 A -69 )
VAL( 17 A -68 )
ALA( 17 A -67 )
ASP( 17 A -66 )
LEU( 17 A -65 )
GLU( 17 A -64 )
GLN( 17 A -63 )
SER( 17 A -62 )
GLU( 17 A -61 )
ALA( 17 A -60 )
ILE( 17 A -59 )
GLY( 17 A -58 )
ASP( 17 A -57 )
ARG( 17 A -56 )
PHE( 17 A -55 )
ASN( 17 A -54 )
VAL( 17 A -53 )
ARG( 17 A -52 )
ARG( 17 A -51 )
PHE( 17 A -50 )
PRO( 17 A -49 )
ALA( 17 A -48 )
THR( 17 A -47 )
LEU( 17 A -46 )
VAL( 17 A -45 )
PHE( 17 A -44 )
THR( 17 A -43 )
ASP( 17 A -42 )
GLY( 17 A -41 )
LYS( 17 A -40 )
LEU( 17 A -39 )
ARG( 17 A -38 )
GLY( 17 A -37 )
ALA( 17 A -36 )
LEU( 17 A -35 )
SER( 17 A -34 )
GLY( 17 A -33 )
ILE( 17 A -32 )
HIS( 17 A -31 )
PRO( 17 A -30 )
TRP( 17 A -29 )
ALA( 17 A -28 )
GLU( 17 A -27 )
LEU( 17 A -26 )
LEU( 17 A -25 )
THR( 17 A -24 )
LEU( 17 A -23 )
MET( 17 A -22 )
ARG( 17 A -21 )
SER( 17 A -20 )
ILE( 17 A -19 )
VAL( 17 A -18 )
ASP( 17 A -17 )
THR( 17 A -16 )
PRO( 17 A -15 )
ALA( 17 A -14 )
ALA( 17 A -13 )
GLN( 17 A -12 )
GLU( 17 A -11 )
THR( 17 A -10 )
VAL( 17 A -9 )
GLN( 17 A -8 )
LEU( 17 A -7 )
GLU( 17 A -6 )
HIS( 17 A -5 )
HIS( 17 A -4 )
HIS( 17 A -3 )
HIS( 17 A -2 )
HIS( 17 A -1 )
HIS( 17 A 0 )
MET( 18 A-141 )
ALA( 18 A-140 )
ASN( 18 A-139 )
ASP( 18 A-138 )
THR( 18 A-137 )
PRO( 18 A-136 )
PHE( 18 A-135 )
SER( 18 A-134 )
ALA( 18 A-133 )
LEU( 18 A-132 )
TRP( 18 A-131 )
GLN( 18 A-130 )
ARG( 18 A-129 )
LEU( 18 A-128 )
LEU( 18 A-127 )
THR( 18 A-126 )
ARG( 18 A-125 )
GLY( 18 A-124 )
TRP( 18 A-123 )
GLN( 18 A-122 )
PRO( 18 A-121 )
VAL( 18 A-120 )
GLU( 18 A-119 )
ALA( 18 A-118 )
SER( 18 A-117 )
THR( 18 A-116 )
VAL( 18 A-115 )
ASP( 18 A-114 )
ASP( 18 A-113 )
TRP( 18 A-112 )
ILE( 18 A-111 )
LYS( 18 A-110 )
ARG( 18 A-109 )
VAL( 18 A-108 )
GLY( 18 A-107 )
ASP( 18 A-106 )
GLY( 18 A-105 )
VAL( 18 A-104 )
ILE( 18 A-103 )
LEU( 18 A-102 )
LEU( 18 A-101 )
SER( 18 A-100 )
SER( 18 A -99 )
ASP( 18 A -98 )
PRO( 18 A -97 )
ARG( 18 A -96 )
ARG( 18 A -95 )
THR( 18 A -94 )
PRO( 18 A -93 )
GLU( 18 A -92 )
VAL( 18 A -91 )
SER( 18 A -90 )
ASP( 18 A -89 )
ASN( 18 A -88 )
PRO( 18 A -87 )
VAL( 18 A -86 )
MET( 18 A -85 )
ILE( 18 A -84 )
ALA( 18 A -83 )
GLU( 18 A -82 )
LEU( 18 A -81 )
LEU( 18 A -80 )
ARG( 18 A -79 )
GLU( 18 A -78 )
PHE( 18 A -77 )
PRO( 18 A -76 )
GLN( 18 A -75 )
PHE( 18 A -74 )
ASP( 18 A -73 )
TRP( 18 A -72 )
GLN( 18 A -71 )
VAL( 18 A -70 )
ALA( 18 A -69 )
VAL( 18 A -68 )
ALA( 18 A -67 )
ASP( 18 A -66 )
LEU( 18 A -65 )
GLU( 18 A -64 )
GLN( 18 A -63 )
SER( 18 A -62 )
GLU( 18 A -61 )
ALA( 18 A -60 )
ILE( 18 A -59 )
GLY( 18 A -58 )
ASP( 18 A -57 )
ARG( 18 A -56 )
PHE( 18 A -55 )
ASN( 18 A -54 )
VAL( 18 A -53 )
ARG( 18 A -52 )
ARG( 18 A -51 )
PHE( 18 A -50 )
PRO( 18 A -49 )
ALA( 18 A -48 )
THR( 18 A -47 )
LEU( 18 A -46 )
VAL( 18 A -45 )
PHE( 18 A -44 )
THR( 18 A -43 )
ASP( 18 A -42 )
GLY( 18 A -41 )
LYS( 18 A -40 )
LEU( 18 A -39 )
ARG( 18 A -38 )
GLY( 18 A -37 )
ALA( 18 A -36 )
LEU( 18 A -35 )
SER( 18 A -34 )
GLY( 18 A -33 )
ILE( 18 A -32 )
HIS( 18 A -31 )
PRO( 18 A -30 )
TRP( 18 A -29 )
ALA( 18 A -28 )
GLU( 18 A -27 )
LEU( 18 A -26 )
LEU( 18 A -25 )
THR( 18 A -24 )
LEU( 18 A -23 )
MET( 18 A -22 )
ARG( 18 A -21 )
SER( 18 A -20 )
ILE( 18 A -19 )
VAL( 18 A -18 )
ASP( 18 A -17 )
THR( 18 A -16 )
PRO( 18 A -15 )
ALA( 18 A -14 )
ALA( 18 A -13 )
GLN( 18 A -12 )
GLU( 18 A -11 )
THR( 18 A -10 )
VAL( 18 A -9 )
GLN( 18 A -8 )
LEU( 18 A -7 )
GLU( 18 A -6 )
HIS( 18 A -5 )
HIS( 18 A -4 )
HIS( 18 A -3 )
HIS( 18 A -2 )
HIS( 18 A -1 )
HIS( 18 A 0 )
MET( 19 A-141 )
ALA( 19 A-140 )
ASN( 19 A-139 )
ASP( 19 A-138 )
THR( 19 A-137 )
PRO( 19 A-136 )
PHE( 19 A-135 )
SER( 19 A-134 )
ALA( 19 A-133 )
LEU( 19 A-132 )
TRP( 19 A-131 )
GLN( 19 A-130 )
ARG( 19 A-129 )
LEU( 19 A-128 )
LEU( 19 A-127 )
THR( 19 A-126 )
ARG( 19 A-125 )
GLY( 19 A-124 )
TRP( 19 A-123 )
GLN( 19 A-122 )
PRO( 19 A-121 )
VAL( 19 A-120 )
GLU( 19 A-119 )
ALA( 19 A-118 )
SER( 19 A-117 )
THR( 19 A-116 )
VAL( 19 A-115 )
ASP( 19 A-114 )
ASP( 19 A-113 )
TRP( 19 A-112 )
ILE( 19 A-111 )
LYS( 19 A-110 )
ARG( 19 A-109 )
VAL( 19 A-108 )
GLY( 19 A-107 )
ASP( 19 A-106 )
GLY( 19 A-105 )
VAL( 19 A-104 )
ILE( 19 A-103 )
LEU( 19 A-102 )
LEU( 19 A-101 )
SER( 19 A-100 )
SER( 19 A -99 )
ASP( 19 A -98 )
PRO( 19 A -97 )
ARG( 19 A -96 )
ARG( 19 A -95 )
THR( 19 A -94 )
PRO( 19 A -93 )
GLU( 19 A -92 )
VAL( 19 A -91 )
SER( 19 A -90 )
ASP( 19 A -89 )
ASN( 19 A -88 )
PRO( 19 A -87 )
VAL( 19 A -86 )
MET( 19 A -85 )
ILE( 19 A -84 )
ALA( 19 A -83 )
GLU( 19 A -82 )
LEU( 19 A -81 )
LEU( 19 A -80 )
ARG( 19 A -79 )
GLU( 19 A -78 )
PHE( 19 A -77 )
PRO( 19 A -76 )
GLN( 19 A -75 )
PHE( 19 A -74 )
ASP( 19 A -73 )
TRP( 19 A -72 )
GLN( 19 A -71 )
VAL( 19 A -70 )
ALA( 19 A -69 )
VAL( 19 A -68 )
ALA( 19 A -67 )
ASP( 19 A -66 )
LEU( 19 A -65 )
GLU( 19 A -64 )
GLN( 19 A -63 )
SER( 19 A -62 )
GLU( 19 A -61 )
ALA( 19 A -60 )
ILE( 19 A -59 )
GLY( 19 A -58 )
ASP( 19 A -57 )
ARG( 19 A -56 )
PHE( 19 A -55 )
ASN( 19 A -54 )
VAL( 19 A -53 )
ARG( 19 A -52 )
ARG( 19 A -51 )
PHE( 19 A -50 )
PRO( 19 A -49 )
ALA( 19 A -48 )
THR( 19 A -47 )
LEU( 19 A -46 )
VAL( 19 A -45 )
PHE( 19 A -44 )
THR( 19 A -43 )
ASP( 19 A -42 )
GLY( 19 A -41 )
LYS( 19 A -40 )
LEU( 19 A -39 )
ARG( 19 A -38 )
GLY( 19 A -37 )
ALA( 19 A -36 )
LEU( 19 A -35 )
SER( 19 A -34 )
GLY( 19 A -33 )
ILE( 19 A -32 )
HIS( 19 A -31 )
PRO( 19 A -30 )
TRP( 19 A -29 )
ALA( 19 A -28 )
GLU( 19 A -27 )
LEU( 19 A -26 )
LEU( 19 A -25 )
THR( 19 A -24 )
LEU( 19 A -23 )
MET( 19 A -22 )
ARG( 19 A -21 )
SER( 19 A -20 )
ILE( 19 A -19 )
VAL( 19 A -18 )
ASP( 19 A -17 )
THR( 19 A -16 )
PRO( 19 A -15 )
ALA( 19 A -14 )
ALA( 19 A -13 )
GLN( 19 A -12 )
GLU( 19 A -11 )
THR( 19 A -10 )
VAL( 19 A -9 )
GLN( 19 A -8 )
LEU( 19 A -7 )
GLU( 19 A -6 )
HIS( 19 A -5 )
HIS( 19 A -4 )
HIS( 19 A -3 )
HIS( 19 A -2 )
HIS( 19 A -1 )
HIS( 19 A 0 )
MET( 20 A-141 )
ALA( 20 A-140 )
ASN( 20 A-139 )
ASP( 20 A-138 )
THR( 20 A-137 )
PRO( 20 A-136 )
PHE( 20 A-135 )
SER( 20 A-134 )
ALA( 20 A-133 )
LEU( 20 A-132 )
TRP( 20 A-131 )
GLN( 20 A-130 )
ARG( 20 A-129 )
LEU( 20 A-128 )
LEU( 20 A-127 )
THR( 20 A-126 )
ARG( 20 A-125 )
GLY( 20 A-124 )
TRP( 20 A-123 )
GLN( 20 A-122 )
PRO( 20 A-121 )
VAL( 20 A-120 )
GLU( 20 A-119 )
ALA( 20 A-118 )
SER( 20 A-117 )
THR( 20 A-116 )
VAL( 20 A-115 )
ASP( 20 A-114 )
ASP( 20 A-113 )
TRP( 20 A-112 )
ILE( 20 A-111 )
LYS( 20 A-110 )
ARG( 20 A-109 )
VAL( 20 A-108 )
GLY( 20 A-107 )
ASP( 20 A-106 )
GLY( 20 A-105 )
VAL( 20 A-104 )
ILE( 20 A-103 )
LEU( 20 A-102 )
LEU( 20 A-101 )
SER( 20 A-100 )
SER( 20 A -99 )
ASP( 20 A -98 )
PRO( 20 A -97 )
ARG( 20 A -96 )
ARG( 20 A -95 )
THR( 20 A -94 )
PRO( 20 A -93 )
GLU( 20 A -92 )
VAL( 20 A -91 )
SER( 20 A -90 )
ASP( 20 A -89 )
ASN( 20 A -88 )
PRO( 20 A -87 )
VAL( 20 A -86 )
MET( 20 A -85 )
ILE( 20 A -84 )
ALA( 20 A -83 )
GLU( 20 A -82 )
LEU( 20 A -81 )
LEU( 20 A -80 )
ARG( 20 A -79 )
GLU( 20 A -78 )
PHE( 20 A -77 )
PRO( 20 A -76 )
GLN( 20 A -75 )
PHE( 20 A -74 )
ASP( 20 A -73 )
TRP( 20 A -72 )
GLN( 20 A -71 )
VAL( 20 A -70 )
ALA( 20 A -69 )
VAL( 20 A -68 )
ALA( 20 A -67 )
ASP( 20 A -66 )
LEU( 20 A -65 )
GLU( 20 A -64 )
GLN( 20 A -63 )
SER( 20 A -62 )
GLU( 20 A -61 )
ALA( 20 A -60 )
ILE( 20 A -59 )
GLY( 20 A -58 )
ASP( 20 A -57 )
ARG( 20 A -56 )
PHE( 20 A -55 )
ASN( 20 A -54 )
VAL( 20 A -53 )
ARG( 20 A -52 )
ARG( 20 A -51 )
PHE( 20 A -50 )
PRO( 20 A -49 )
ALA( 20 A -48 )
THR( 20 A -47 )
LEU( 20 A -46 )
VAL( 20 A -45 )
PHE( 20 A -44 )
THR( 20 A -43 )
ASP( 20 A -42 )
GLY( 20 A -41 )
LYS( 20 A -40 )
LEU( 20 A -39 )
ARG( 20 A -38 )
GLY( 20 A -37 )
ALA( 20 A -36 )
LEU( 20 A -35 )
SER( 20 A -34 )
GLY( 20 A -33 )
ILE( 20 A -32 )
HIS( 20 A -31 )
PRO( 20 A -30 )
TRP( 20 A -29 )
ALA( 20 A -28 )
GLU( 20 A -27 )
LEU( 20 A -26 )
LEU( 20 A -25 )
THR( 20 A -24 )
LEU( 20 A -23 )
MET( 20 A -22 )
ARG( 20 A -21 )
SER( 20 A -20 )
ILE( 20 A -19 )
VAL( 20 A -18 )
ASP( 20 A -17 )
THR( 20 A -16 )
PRO( 20 A -15 )
ALA( 20 A -14 )
ALA( 20 A -13 )
GLN( 20 A -12 )
GLU( 20 A -11 )
THR( 20 A -10 )
VAL( 20 A -9 )
GLN( 20 A -8 )
LEU( 20 A -7 )
GLU( 20 A -6 )
HIS( 20 A -5 )
HIS( 20 A -4 )
HIS( 20 A -3 )
HIS( 20 A -2 )
HIS( 20 A -1 )
HIS( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET ALA ASN ASP THR PRO PHE SER ALA LEU TRP GLN ARG LEU LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: THR ARG GLY TRP GLN PRO VAL GLU ALA SER THR VAL ASP ASP TRP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: ILE LYS ARG VAL GLY ASP GLY VAL ILE LEU LEU SER SER ASP PRO
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: ARG ARG THR PRO GLU VAL SER ASP ASN PRO VAL MET ILE ALA GLU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: LEU LEU ARG GLU PHE PRO GLN PHE ASP TRP GLN VAL ALA VAL ALA
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: ASP LEU GLU GLN SER GLU ALA ILE GLY ASP ARG PHE ASN VAL ARG
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: ARG PHE PRO ALA THR LEU VAL PHE THR ASP GLY LYS LEU ARG GLY
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
106 120
SEQRES: ALA LEU SER GLY ILE HIS PRO TRP ALA GLU LEU LEU THR LEU MET
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
121 135
SEQRES: ARG SER ILE VAL ASP THR PRO ALA ALA GLN GLU THR VAL GLN LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
136 150
SEQRES: GLU HIS HIS HIS HIS HIS HIS MET ALA ASN ASP THR PRO PHE SER
COORDS: ... ... ... ... ... ... ... MET ALA ASN ASP THR PRO PHE SER
1 8
151 165
SEQRES: ALA LEU TRP GLN ARG LEU LEU THR ARG GLY TRP GLN PRO VAL GLU
COORDS: ALA LEU TRP GLN ARG LEU LEU THR ARG GLY TRP GLN PRO VAL GLU
9 23
166 180
SEQRES: ALA SER THR VAL ASP ASP TRP ILE LYS ARG VAL GLY ASP GLY VAL
COORDS: ALA SER THR VAL ASP ASP TRP ILE LYS ARG VAL GLY ASP GLY VAL
24 38
181 195
SEQRES: ILE LEU LEU SER SER ASP PRO ARG ARG THR PRO GLU VAL SER ASP
COORDS: ILE LEU LEU SER SER ASP PRO ARG ARG THR PRO GLU VAL SER ASP
39 53
196 210
SEQRES: ASN PRO VAL MET ILE ALA GLU LEU LEU ARG GLU PHE PRO GLN PHE
COORDS: ASN PRO VAL MET ILE ALA GLU LEU LEU ARG GLU PHE PRO GLN PHE
54 68
211 225
SEQRES: ASP TRP GLN VAL ALA VAL ALA ASP LEU GLU GLN SER GLU ALA ILE
COORDS: ASP TRP GLN VAL ALA VAL ALA ASP LEU GLU GLN SER GLU ALA ILE
69 83
226 240
SEQRES: GLY ASP ARG PHE ASN VAL ARG ARG PHE PRO ALA THR LEU VAL PHE
COORDS: GLY ASP ARG PHE ASN VAL ARG ARG PHE PRO ALA THR LEU VAL PHE
84 98
241 255
SEQRES: THR ASP GLY LYS LEU ARG GLY ALA LEU SER GLY ILE HIS PRO TRP
COORDS: THR ASP GLY LYS LEU ARG GLY ALA LEU SER GLY ILE HIS PRO TRP
99 113
256 270
SEQRES: ALA GLU LEU LEU THR LEU MET ARG SER ILE VAL ASP THR PRO ALA
COORDS: ALA GLU LEU LEU THR LEU MET ARG SER ILE VAL ASP THR PRO ALA
114 128
271 284
SEQRES: ALA GLN GLU THR VAL GLN LEU GLU HIS HIS HIS HIS HIS HIS
COORDS: ALA GLN GLU THR VAL GLN LEU GLU HIS HIS HIS HIS HIS HIS
129 142
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 4) HD2
GLU( 1 A 23) HE2
ASP( 1 A 28) HD2
ASP( 1 A 29) HD2
ASP( 1 A 36) HD2
ASP( 1 A 44) HD2
GLU( 1 A 50) HE2
ASP( 1 A 53) HD2
GLU( 1 A 60) HE2
GLU( 1 A 64) HE2
ASP( 1 A 69) HD2
ASP( 1 A 76) HD2
GLU( 1 A 78) HE2
GLU( 1 A 81) HE2
ASP( 1 A 85) HD2
ASP( 1 A 100) HD2
GLU( 1 A 115) HE2
ASP( 1 A 125) HD2
GLU( 1 A 131) HE2
GLU( 1 A 136) HE2
ASP( 2 A 4) HD2
GLU( 2 A 23) HE2
ASP( 2 A 28) HD2
ASP( 2 A 29) HD2
ASP( 2 A 36) HD2
ASP( 2 A 44) HD2
GLU( 2 A 50) HE2
ASP( 2 A 53) HD2
GLU( 2 A 60) HE2
GLU( 2 A 64) HE2
ASP( 2 A 69) HD2
ASP( 2 A 76) HD2
GLU( 2 A 78) HE2
GLU( 2 A 81) HE2
ASP( 2 A 85) HD2
ASP( 2 A 100) HD2
GLU( 2 A 115) HE2
ASP( 2 A 125) HD2
GLU( 2 A 131) HE2
GLU( 2 A 136) HE2
ASP( 3 A 4) HD2
GLU( 3 A 23) HE2
ASP( 3 A 28) HD2
ASP( 3 A 29) HD2
ASP( 3 A 36) HD2
ASP( 3 A 44) HD2
GLU( 3 A 50) HE2
ASP( 3 A 53) HD2
GLU( 3 A 60) HE2
GLU( 3 A 64) HE2
ASP( 3 A 69) HD2
ASP( 3 A 76) HD2
GLU( 3 A 78) HE2
GLU( 3 A 81) HE2
ASP( 3 A 85) HD2
ASP( 3 A 100) HD2
GLU( 3 A 115) HE2
ASP( 3 A 125) HD2
GLU( 3 A 131) HE2
GLU( 3 A 136) HE2
ASP( 4 A 4) HD2
GLU( 4 A 23) HE2
ASP( 4 A 28) HD2
ASP( 4 A 29) HD2
ASP( 4 A 36) HD2
ASP( 4 A 44) HD2
GLU( 4 A 50) HE2
ASP( 4 A 53) HD2
GLU( 4 A 60) HE2
GLU( 4 A 64) HE2
ASP( 4 A 69) HD2
ASP( 4 A 76) HD2
GLU( 4 A 78) HE2
GLU( 4 A 81) HE2
ASP( 4 A 85) HD2
ASP( 4 A 100) HD2
GLU( 4 A 115) HE2
ASP( 4 A 125) HD2
GLU( 4 A 131) HE2
GLU( 4 A 136) HE2
ASP( 5 A 4) HD2
GLU( 5 A 23) HE2
ASP( 5 A 28) HD2
ASP( 5 A 29) HD2
ASP( 5 A 36) HD2
ASP( 5 A 44) HD2
GLU( 5 A 50) HE2
ASP( 5 A 53) HD2
GLU( 5 A 60) HE2
GLU( 5 A 64) HE2
ASP( 5 A 69) HD2
ASP( 5 A 76) HD2
GLU( 5 A 78) HE2
GLU( 5 A 81) HE2
ASP( 5 A 85) HD2
ASP( 5 A 100) HD2
GLU( 5 A 115) HE2
ASP( 5 A 125) HD2
GLU( 5 A 131) HE2
GLU( 5 A 136) HE2
ASP( 6 A 4) HD2
GLU( 6 A 23) HE2
ASP( 6 A 28) HD2
ASP( 6 A 29) HD2
ASP( 6 A 36) HD2
ASP( 6 A 44) HD2
GLU( 6 A 50) HE2
ASP( 6 A 53) HD2
GLU( 6 A 60) HE2
GLU( 6 A 64) HE2
ASP( 6 A 69) HD2
ASP( 6 A 76) HD2
GLU( 6 A 78) HE2
GLU( 6 A 81) HE2
ASP( 6 A 85) HD2
ASP( 6 A 100) HD2
GLU( 6 A 115) HE2
ASP( 6 A 125) HD2
GLU( 6 A 131) HE2
GLU( 6 A 136) HE2
ASP( 7 A 4) HD2
GLU( 7 A 23) HE2
ASP( 7 A 28) HD2
ASP( 7 A 29) HD2
ASP( 7 A 36) HD2
ASP( 7 A 44) HD2
GLU( 7 A 50) HE2
ASP( 7 A 53) HD2
GLU( 7 A 60) HE2
GLU( 7 A 64) HE2
ASP( 7 A 69) HD2
ASP( 7 A 76) HD2
GLU( 7 A 78) HE2
GLU( 7 A 81) HE2
ASP( 7 A 85) HD2
ASP( 7 A 100) HD2
GLU( 7 A 115) HE2
ASP( 7 A 125) HD2
GLU( 7 A 131) HE2
GLU( 7 A 136) HE2
ASP( 8 A 4) HD2
GLU( 8 A 23) HE2
ASP( 8 A 28) HD2
ASP( 8 A 29) HD2
ASP( 8 A 36) HD2
ASP( 8 A 44) HD2
GLU( 8 A 50) HE2
ASP( 8 A 53) HD2
GLU( 8 A 60) HE2
GLU( 8 A 64) HE2
ASP( 8 A 69) HD2
ASP( 8 A 76) HD2
GLU( 8 A 78) HE2
GLU( 8 A 81) HE2
ASP( 8 A 85) HD2
ASP( 8 A 100) HD2
GLU( 8 A 115) HE2
ASP( 8 A 125) HD2
GLU( 8 A 131) HE2
GLU( 8 A 136) HE2
ASP( 9 A 4) HD2
GLU( 9 A 23) HE2
ASP( 9 A 28) HD2
ASP( 9 A 29) HD2
ASP( 9 A 36) HD2
ASP( 9 A 44) HD2
GLU( 9 A 50) HE2
ASP( 9 A 53) HD2
GLU( 9 A 60) HE2
GLU( 9 A 64) HE2
ASP( 9 A 69) HD2
ASP( 9 A 76) HD2
GLU( 9 A 78) HE2
GLU( 9 A 81) HE2
ASP( 9 A 85) HD2
ASP( 9 A 100) HD2
GLU( 9 A 115) HE2
ASP( 9 A 125) HD2
GLU( 9 A 131) HE2
GLU( 9 A 136) HE2
ASP( 10 A 4) HD2
GLU( 10 A 23) HE2
ASP( 10 A 28) HD2
ASP( 10 A 29) HD2
ASP( 10 A 36) HD2
ASP( 10 A 44) HD2
GLU( 10 A 50) HE2
ASP( 10 A 53) HD2
GLU( 10 A 60) HE2
GLU( 10 A 64) HE2
ASP( 10 A 69) HD2
ASP( 10 A 76) HD2
GLU( 10 A 78) HE2
GLU( 10 A 81) HE2
ASP( 10 A 85) HD2
ASP( 10 A 100) HD2
GLU( 10 A 115) HE2
ASP( 10 A 125) HD2
GLU( 10 A 131) HE2
GLU( 10 A 136) HE2
ASP( 11 A 4) HD2
GLU( 11 A 23) HE2
ASP( 11 A 28) HD2
ASP( 11 A 29) HD2
ASP( 11 A 36) HD2
ASP( 11 A 44) HD2
GLU( 11 A 50) HE2
ASP( 11 A 53) HD2
GLU( 11 A 60) HE2
GLU( 11 A 64) HE2
ASP( 11 A 69) HD2
ASP( 11 A 76) HD2
GLU( 11 A 78) HE2
GLU( 11 A 81) HE2
ASP( 11 A 85) HD2
ASP( 11 A 100) HD2
GLU( 11 A 115) HE2
ASP( 11 A 125) HD2
GLU( 11 A 131) HE2
GLU( 11 A 136) HE2
ASP( 12 A 4) HD2
GLU( 12 A 23) HE2
ASP( 12 A 28) HD2
ASP( 12 A 29) HD2
ASP( 12 A 36) HD2
ASP( 12 A 44) HD2
GLU( 12 A 50) HE2
ASP( 12 A 53) HD2
GLU( 12 A 60) HE2
GLU( 12 A 64) HE2
ASP( 12 A 69) HD2
ASP( 12 A 76) HD2
GLU( 12 A 78) HE2
GLU( 12 A 81) HE2
ASP( 12 A 85) HD2
ASP( 12 A 100) HD2
GLU( 12 A 115) HE2
ASP( 12 A 125) HD2
GLU( 12 A 131) HE2
GLU( 12 A 136) HE2
ASP( 13 A 4) HD2
GLU( 13 A 23) HE2
ASP( 13 A 28) HD2
ASP( 13 A 29) HD2
ASP( 13 A 36) HD2
ASP( 13 A 44) HD2
GLU( 13 A 50) HE2
ASP( 13 A 53) HD2
GLU( 13 A 60) HE2
GLU( 13 A 64) HE2
ASP( 13 A 69) HD2
ASP( 13 A 76) HD2
GLU( 13 A 78) HE2
GLU( 13 A 81) HE2
ASP( 13 A 85) HD2
ASP( 13 A 100) HD2
GLU( 13 A 115) HE2
ASP( 13 A 125) HD2
GLU( 13 A 131) HE2
GLU( 13 A 136) HE2
ASP( 14 A 4) HD2
GLU( 14 A 23) HE2
ASP( 14 A 28) HD2
ASP( 14 A 29) HD2
ASP( 14 A 36) HD2
ASP( 14 A 44) HD2
GLU( 14 A 50) HE2
ASP( 14 A 53) HD2
GLU( 14 A 60) HE2
GLU( 14 A 64) HE2
ASP( 14 A 69) HD2
ASP( 14 A 76) HD2
GLU( 14 A 78) HE2
GLU( 14 A 81) HE2
ASP( 14 A 85) HD2
ASP( 14 A 100) HD2
GLU( 14 A 115) HE2
ASP( 14 A 125) HD2
GLU( 14 A 131) HE2
GLU( 14 A 136) HE2
ASP( 15 A 4) HD2
GLU( 15 A 23) HE2
ASP( 15 A 28) HD2
ASP( 15 A 29) HD2
ASP( 15 A 36) HD2
ASP( 15 A 44) HD2
GLU( 15 A 50) HE2
ASP( 15 A 53) HD2
GLU( 15 A 60) HE2
GLU( 15 A 64) HE2
ASP( 15 A 69) HD2
ASP( 15 A 76) HD2
GLU( 15 A 78) HE2
GLU( 15 A 81) HE2
ASP( 15 A 85) HD2
ASP( 15 A 100) HD2
GLU( 15 A 115) HE2
ASP( 15 A 125) HD2
GLU( 15 A 131) HE2
GLU( 15 A 136) HE2
ASP( 16 A 4) HD2
GLU( 16 A 23) HE2
ASP( 16 A 28) HD2
ASP( 16 A 29) HD2
ASP( 16 A 36) HD2
ASP( 16 A 44) HD2
GLU( 16 A 50) HE2
ASP( 16 A 53) HD2
GLU( 16 A 60) HE2
GLU( 16 A 64) HE2
ASP( 16 A 69) HD2
ASP( 16 A 76) HD2
GLU( 16 A 78) HE2
GLU( 16 A 81) HE2
ASP( 16 A 85) HD2
ASP( 16 A 100) HD2
GLU( 16 A 115) HE2
ASP( 16 A 125) HD2
GLU( 16 A 131) HE2
GLU( 16 A 136) HE2
ASP( 17 A 4) HD2
GLU( 17 A 23) HE2
ASP( 17 A 28) HD2
ASP( 17 A 29) HD2
ASP( 17 A 36) HD2
ASP( 17 A 44) HD2
GLU( 17 A 50) HE2
ASP( 17 A 53) HD2
GLU( 17 A 60) HE2
GLU( 17 A 64) HE2
ASP( 17 A 69) HD2
ASP( 17 A 76) HD2
GLU( 17 A 78) HE2
GLU( 17 A 81) HE2
ASP( 17 A 85) HD2
ASP( 17 A 100) HD2
GLU( 17 A 115) HE2
ASP( 17 A 125) HD2
GLU( 17 A 131) HE2
GLU( 17 A 136) HE2
ASP( 18 A 4) HD2
GLU( 18 A 23) HE2
ASP( 18 A 28) HD2
ASP( 18 A 29) HD2
ASP( 18 A 36) HD2
ASP( 18 A 44) HD2
GLU( 18 A 50) HE2
ASP( 18 A 53) HD2
GLU( 18 A 60) HE2
GLU( 18 A 64) HE2
ASP( 18 A 69) HD2
ASP( 18 A 76) HD2
GLU( 18 A 78) HE2
GLU( 18 A 81) HE2
ASP( 18 A 85) HD2
ASP( 18 A 100) HD2
GLU( 18 A 115) HE2
ASP( 18 A 125) HD2
GLU( 18 A 131) HE2
GLU( 18 A 136) HE2
ASP( 19 A 4) HD2
GLU( 19 A 23) HE2
ASP( 19 A 28) HD2
ASP( 19 A 29) HD2
ASP( 19 A 36) HD2
ASP( 19 A 44) HD2
GLU( 19 A 50) HE2
ASP( 19 A 53) HD2
GLU( 19 A 60) HE2
GLU( 19 A 64) HE2
ASP( 19 A 69) HD2
ASP( 19 A 76) HD2
GLU( 19 A 78) HE2
GLU( 19 A 81) HE2
ASP( 19 A 85) HD2
ASP( 19 A 100) HD2
GLU( 19 A 115) HE2
ASP( 19 A 125) HD2
GLU( 19 A 131) HE2
GLU( 19 A 136) HE2
ASP( 20 A 4) HD2
GLU( 20 A 23) HE2
ASP( 20 A 28) HD2
ASP( 20 A 29) HD2
ASP( 20 A 36) HD2
ASP( 20 A 44) HD2
GLU( 20 A 50) HE2
ASP( 20 A 53) HD2
GLU( 20 A 60) HE2
GLU( 20 A 64) HE2
ASP( 20 A 69) HD2
ASP( 20 A 76) HD2
GLU( 20 A 78) HE2
GLU( 20 A 81) HE2
ASP( 20 A 85) HD2
ASP( 20 A 100) HD2
GLU( 20 A 115) HE2
ASP( 20 A 125) HD2
GLU( 20 A 131) HE2
GLU( 20 A 136) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 142) O2
HIS( 2 A 142) O2
HIS( 3 A 142) O2
HIS( 4 A 142) O2
HIS( 5 A 142) O2
HIS( 6 A 142) O2
HIS( 7 A 142) O2
HIS( 8 A 142) O2
HIS( 9 A 142) O2
HIS( 10 A 142) O2
HIS( 11 A 142) O2
HIS( 12 A 142) O2
HIS( 13 A 142) O2
HIS( 14 A 142) O2
HIS( 15 A 142) O2
HIS( 16 A 142) O2
HIS( 17 A 142) O2
HIS( 18 A 142) O2
HIS( 19 A 142) O2
HIS( 20 A 142) O2
CHECK TERMINAL ATOMS
--------------------
Terminal atom(s) showed in middle of sequence will be deleted:
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A