Detailed results of SGR209C_NMR_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1790
# INTRA-RESIDUE RESTRAINTS (I=J) : 497
# SEQUENTIAL RESTRAINTS (I-J)=1 : 465
# BACKBONE-BACKBONE : 122
# BACKBONE-SIDE CHAIN : 18
# SIDE CHAIN-SIDE CHAIN : 325
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 399
# BACKBONE-BACKBONE : 106
# BACKBONE-SIDE CHAIN : 117
# SIDE CHAIN-SIDE CHAIN : 176
# LONG RANGE RESTRAINTS (I-J)>=5 : 429
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1790
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
PRO 1 0 0.0 0.0 0.0 0.0 0.0
GLN 2 0 0.0 0.0 0.0 0.0 0.0
SER 3 0 0.0 0.0 0.0 0.0 0.0
TYR 4 0 0.0 0.0 0.0 0.0 0.0
PHE 5 0 0.0 0.0 0.0 0.0 0.0
ASN 6 0 0.0 0.0 0.0 0.0 0.0
ALA 7 0 0.0 0.0 0.0 0.0 0.0
ALA 8 0 0.0 0.0 0.0 0.0 0.0
ALA 9 0 0.0 0.0 0.0 0.0 0.0
LYS 10 1 1.0 1.0 0.0 0.0 0.0
ARG 11 6 2.5 2.5 0.0 0.0 0.0
GLN 12 6 3.5 3.5 0.0 0.0 0.0
LYS 13 7 6.0 4.5 0.0 1.5 0.0
TYR 14 2 18.0 5.0 0.0 13.0 0.0
ALA 15 1 12.5 4.5 0.5 7.5 0.0
MET 16 9 19.5 4.0 1.5 14.0 0.0
LYS 17 5 7.5 3.5 4.0 0.0 0.0
PRO 18 0 3.5 3.5 0.0 0.0 0.0
GLY 19 0 2.5 2.5 0.0 0.0 0.0
LEU 20 9 16.0 3.0 9.0 4.0 0.0
SER 21 1 8.5 5.0 3.5 0.0 0.0
ALA 22 1 7.5 4.0 3.5 0.0 0.0
LEU 23 11 9.0 4.0 5.0 0.0 0.0
GLU 24 4 12.5 4.5 8.0 0.0 0.0
LYS 25 10 14.0 3.5 5.5 5.0 0.0
ASN 26 2 11.0 4.0 7.0 0.0 0.0
ALA 27 1 8.5 4.5 3.0 1.0 0.0
VAL 28 5 21.5 3.5 4.0 14.0 0.0
ILE 29 8 18.0 3.0 6.0 9.0 0.0
LYS 30 4 6.5 3.0 3.5 0.0 0.0
ALA 31 1 11.0 3.5 3.0 4.5 0.0
ALA 32 1 11.0 2.5 2.5 6.0 0.0
TYR 33 3 9.5 2.0 3.5 4.0 0.0
ARG 34 5 7.0 4.0 2.0 1.0 0.0
GLN 35 1 4.0 3.0 0.5 0.5 0.0
ILE 36 8 13.0 2.5 1.5 9.0 0.0
PHE 37 1 8.0 3.5 3.5 1.0 0.0
GLU 38 2 5.5 3.0 2.5 0.0 0.0
ARG 39 4 6.5 3.5 2.0 1.0 0.0
ASP 40 2 2.5 2.5 0.0 0.0 0.0
ILE 41 8 15.5 3.0 8.5 4.0 0.0
THR 42 2 6.5 5.5 1.0 0.0 0.0
LYS 43 5 4.5 4.5 0.0 0.0 0.0
ALA 44 1 4.5 4.5 0.0 0.0 0.0
TYR 45 3 12.0 4.0 6.5 1.5 0.0
SER 46 1 5.0 1.0 4.0 0.0 0.0
GLN 47 2 1.5 1.5 0.0 0.0 0.0
SER 48 0 5.0 4.0 1.0 0.0 0.0
ILE 49 10 18.0 5.0 7.5 5.5 0.0
SER 50 1 4.5 3.5 1.0 0.0 0.0
TYR 51 4 6.0 3.5 2.5 0.0 0.0
LEU 52 10 20.0 5.0 5.0 10.0 0.0
GLU 53 0 8.5 3.5 2.5 2.5 0.0
SER 54 1 4.0 2.5 1.5 0.0 0.0
GLN 55 5 13.5 4.5 4.5 4.5 0.0
VAL 56 5 22.5 5.5 3.5 13.5 0.0
ARG 57 6 8.5 4.5 1.0 3.0 0.0
ASN 58 4 7.0 3.5 3.5 0.0 0.0
GLY 59 0 5.5 2.0 2.5 1.0 0.0
ASP 60 1 5.5 2.0 2.0 1.5 0.0
ILE 61 4 17.0 4.0 1.5 11.5 0.0
SER 62 0 5.5 2.5 2.0 1.0 0.0
MET 63 4 14.5 1.0 3.5 10.0 0.0
LYS 64 4 10.0 2.5 4.0 3.5 0.0
GLU 65 1 3.5 2.0 1.5 0.0 0.0
PHE 66 4 21.5 3.0 5.5 13.0 0.0
VAL 67 5 22.5 6.0 7.0 9.5 0.0
ARG 68 2 10.0 4.0 1.5 4.5 0.0
ARG 69 4 5.5 1.5 0.5 3.5 0.0
LEU 70 7 19.5 2.5 8.0 9.0 0.0
ALA 71 1 9.5 2.5 2.0 5.0 0.0
LYS 72 5 5.0 2.5 0.5 2.0 0.0
SER 73 2 6.5 3.5 3.0 0.0 0.0
PRO 74 0 5.5 4.0 1.5 0.0 0.0
LEU 75 8 11.0 3.0 5.5 2.5 0.0
TYR 76 0 2.0 1.5 0.5 0.0 0.0
ARG 77 8 6.0 2.0 2.0 2.0 0.0
LYS 78 7 6.0 3.0 3.0 0.0 0.0
GLN 79 5 7.5 3.5 4.0 0.0 0.0
PHE 80 3 5.0 2.5 0.0 2.5 0.0
PHE 81 1 8.5 2.0 2.0 4.5 0.0
GLU 82 2 4.5 3.0 1.5 0.0 0.0
PRO 83 0 5.0 4.5 0.5 0.0 0.0
PHE 84 1 11.0 6.0 3.0 2.0 0.0
ILE 85 7 6.5 4.0 2.5 0.0 0.0
ASN 86 2 5.5 2.0 1.0 2.5 0.0
SER 87 0 5.0 1.5 3.0 0.5 0.0
ARG 88 5 6.0 2.5 3.5 0.0 0.0
ALA 89 1 9.5 3.5 2.0 4.0 0.0
LEU 90 9 25.0 4.0 5.5 15.5 0.0
GLU 91 4 8.5 4.0 2.5 2.0 0.0
LEU 92 8 8.5 3.5 2.5 2.5 0.0
ALA 93 1 10.0 4.0 3.0 3.0 0.0
PHE 94 3 19.5 3.5 9.5 6.5 0.0
ARG 95 5 8.0 4.0 1.5 2.5 0.0
HIS 96 1 6.0 4.0 1.5 0.5 0.0
ILE 97 11 18.5 3.0 3.0 12.5 0.0
LEU 98 9 14.5 4.0 4.5 6.0 0.0
GLY 99 0 5.0 3.0 1.0 1.0 0.0
ARG 100 1 6.0 3.0 1.5 1.5 0.0
GLY 101 0 4.0 3.5 0.0 0.5 0.0
PRO 102 0 6.5 1.5 0.5 4.5 0.0
SER 103 0 1.5 1.5 0.0 0.0 0.0
SER 104 0 5.0 1.0 4.0 0.0 0.0
ARG 105 8 4.0 2.0 2.0 0.0 0.0
GLU 106 4 5.0 3.5 1.5 0.0 0.0
GLU 107 3 9.5 3.0 5.5 1.0 0.0
VAL 108 5 15.5 5.0 7.0 3.5 0.0
GLN 109 7 8.5 5.5 3.0 0.0 0.0
LYS 110 8 10.0 6.0 4.0 0.0 0.0
TYR 111 5 25.5 5.0 9.0 11.5 0.0
PHE 112 4 18.0 2.5 10.0 5.5 0.0
SER 113 1 3.5 2.5 1.0 0.0 0.0
ILE 114 12 20.5 4.0 9.5 7.0 0.0
VAL 115 5 20.0 4.5 6.0 9.5 0.0
SER 116 2 3.5 2.5 1.0 0.0 0.0
SER 117 1 4.5 2.0 2.0 0.5 0.0
GLY 118 0 3.5 1.5 2.0 0.0 0.0
GLY 119 0 3.5 0.5 3.0 0.0 0.0
LEU 120 6 10.5 2.5 1.5 6.5 0.0
PRO 121 0 9.5 4.5 3.5 1.5 0.0
ALA 122 1 10.0 3.0 4.0 3.0 0.0
LEU 123 6 23.0 4.0 5.0 14.0 0.0
VAL 124 5 16.5 5.5 6.5 4.5 0.0
ASP 125 2 9.5 4.0 5.0 0.5 0.0
ALA 126 1 8.0 2.5 3.0 2.5 0.0
LEU 127 9 28.0 3.5 8.0 16.5 0.0
VAL 128 5 19.5 4.5 4.5 10.5 0.0
ASP 129 1 6.0 3.5 2.0 0.5 0.0
SER 130 3 9.0 3.5 5.5 0.0 0.0
GLN 131 6 6.0 3.0 3.0 0.0 0.0
GLU 132 3 5.0 2.0 3.0 0.0 0.0
TYR 133 4 11.5 3.5 3.0 5.0 0.0
ALA 134 1 8.5 3.5 5.0 0.0 0.0
ASP 135 1 4.5 3.0 1.5 0.0 0.0
TYR 136 4 5.0 3.5 1.5 0.0 0.0
PHE 137 0 4.0 2.5 1.5 0.0 0.0
GLY 138 0 3.5 2.0 1.5 0.0 0.0
GLU 139 2 4.5 2.5 0.0 2.0 0.0
GLU 140 4 8.0 2.5 0.5 5.0 0.0
THR 141 3 7.0 2.5 1.5 3.0 0.0
VAL 142 4 16.5 3.0 0.0 13.5 0.0
PRO 143 0 6.0 3.0 0.0 3.0 0.0
TYR 144 1 8.0 4.5 2.0 1.5 0.0
LEU 145 9 9.0 6.0 0.0 3.0 0.0
ARG 146 4 4.5 4.0 0.5 0.0 0.0
GLY 147 0 2.0 2.0 0.0 0.0 0.0
LEU 148 7 3.5 3.5 0.0 0.0 0.0
GLU 149 5 3.5 3.5 0.0 0.0 0.0
HIS 150 0 1.0 1.0 0.0 0.0 0.0
HIS 151 0 0.0 0.0 0.0 0.0 0.0
HIS 152 0 0.0 0.0 0.0 0.0 0.0
HIS 153 0 0.0 0.0 0.0 0.0 0.0
HIS 154 0 0.0 0.0 0.0 0.0 0.0
HIS 155 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 497 1293.0 465.0 399.0 429.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1790.0
List of conformationally-resticting NOE constraints
assign ((resid 10 and name HA )) ( (resid 11 and name HN )) 1.80 0.00 1.59
assign ((resid 10 and name HG* )) ( (resid 10 and name HE* )) 1.80 0.00 1.39
assign ((resid 10 and name HG* )) ( (resid 11 and name HN )) 1.80 0.00 3.44
assign ((resid 11 and name HA )) ( (resid 11 and name HD* )) 1.80 0.00 2.41
assign ((resid 11 and name HA )) ( (resid 11 and name HG* )) 1.80 0.00 1.56
assign ((resid 11 and name HA )) ( (resid 12 and name HN )) 1.80 0.00 1.72
assign ((resid 11 and name HB* )) ( (resid 11 and name HD* )) 1.80 0.00 1.40
assign ((resid 11 and name HB* )) ( (resid 12 and name HN )) 1.80 0.00 2.33
assign ((resid 11 and name HG* )) ( (resid 12 and name HN )) 1.80 0.00 3.11
assign ((resid 11 and name HN )) ( (resid 11 and name HB* )) 1.80 0.00 1.64
assign ((resid 11 and name HN )) ( (resid 11 and name HD* )) 1.80 0.00 3.47
assign ((resid 11 and name HN )) ( (resid 11 and name HG* )) 1.80 0.00 3.51
assign ((resid 12 and name HA )) ( (resid 12 and name HG* )) 1.80 0.00 1.90
assign ((resid 12 and name HA )) ( (resid 13 and name HN )) 1.80 0.00 1.55
assign ((resid 12 and name HB* )) ( (resid 12 and name HE2* )) 1.80 0.00 2.79
assign ((resid 12 and name HB* )) ( (resid 12 and name HG* )) 1.80 0.00 0.68
assign ((resid 12 and name HB* )) ( (resid 13 and name HN )) 1.80 0.00 2.51
assign ((resid 12 and name HG* )) ( (resid 13 and name HN )) 1.80 0.00 2.29
assign ((resid 12 and name HN )) ( (resid 12 and name HB1 )) 1.80 0.00 2.19
assign ((resid 12 and name HN )) ( (resid 12 and name HB2 )) 1.80 0.00 2.19
assign ((resid 12 and name HN )) ( (resid 12 and name HG* )) 1.80 0.00 3.07
assign ((resid 12 and name HN )) ( (resid 13 and name HN )) 1.80 0.00 3.17
assign ((resid 13 and name HA )) ( (resid 13 and name HD* )) 1.80 0.00 3.14
assign ((resid 13 and name HA )) ( (resid 13 and name HE* )) 1.80 0.00 3.72
assign ((resid 13 and name HA )) ( (resid 13 and name HG* )) 1.80 0.00 2.10
assign ((resid 13 and name HA )) ( (resid 14 and name HD* )) 1.80 0.00 3.01
assign ((resid 13 and name HA )) ( (resid 14 and name HN )) 1.80 0.00 1.60
assign ((resid 13 and name HB* )) ( (resid 14 and name HN )) 1.80 0.00 2.38
assign ((resid 13 and name HD* )) ( (resid 144 and name HE* )) 1.80 0.00 2.59
assign ((resid 13 and name HE* )) ( (resid 144 and name HE* )) 1.80 0.00 2.69
assign ((resid 13 and name HG* )) ( (resid 13 and name HE* )) 1.80 0.00 1.52
assign ((resid 13 and name HG* )) ( (resid 14 and name HN )) 1.80 0.00 2.82
assign ((resid 13 and name HG* )) ( (resid 144 and name HE* )) 1.80 0.00 3.02
assign ((resid 13 and name HN )) ( (resid 13 and name HB* )) 1.80 0.00 1.50
assign ((resid 13 and name HN )) ( (resid 13 and name HE* )) 1.80 0.00 3.56
assign ((resid 13 and name HN )) ( (resid 13 and name HG* )) 1.80 0.00 1.86
assign ((resid 13 and name HN )) ( (resid 14 and name HN )) 1.80 0.00 3.28
assign ((resid 14 and name HA )) ( (resid 14 and name HD* )) 1.80 0.00 2.08
assign ((resid 14 and name HA )) ( (resid 15 and name HB* )) 1.80 0.00 2.78
assign ((resid 14 and name HA )) ( (resid 15 and name HN )) 1.80 0.00 1.30
assign ((resid 14 and name HA )) ( (resid 28 and name HG2* )) 1.80 0.00 2.61
assign ((resid 14 and name HA )) ( (resid 31 and name HB* )) 1.80 0.00 4.25
assign ((resid 14 and name HB* )) ( (resid 15 and name HN )) 1.80 0.00 2.50
assign ((resid 14 and name HB* )) ( (resid 28 and name HA )) 1.80 0.00 2.70
assign ((resid 14 and name HB* )) ( (resid 28 and name HG1* )) 1.80 0.00 2.30
assign ((resid 14 and name HB* )) ( (resid 31 and name HB* )) 1.80 0.00 2.53
assign ((resid 14 and name HB* )) ( (resid 142 and name HB )) 1.80 0.00 3.02
assign ((resid 14 and name HB* )) ( (resid 142 and name HG1* )) 1.80 0.00 2.96
assign ((resid 14 and name HB* )) ( (resid 142 and name HG2* )) 1.80 0.00 2.27
assign ((resid 14 and name HB* )) ( (resid 142 and name HN )) 1.80 0.00 3.70
assign ((resid 14 and name HB1 )) ( (resid 28 and name HG2* )) 1.80 0.00 3.11
assign ((resid 14 and name HB2 )) ( (resid 28 and name HG2* )) 1.80 0.00 3.11
assign ((resid 14 and name HD* )) ( (resid 15 and name HN )) 1.80 0.00 2.75
assign ((resid 14 and name HD* )) ( (resid 27 and name HB* )) 1.80 0.00 2.62
assign ((resid 14 and name HD* )) ( (resid 28 and name HA )) 1.80 0.00 2.29
assign ((resid 14 and name HD* )) ( (resid 28 and name HG1* )) 1.80 0.00 2.73
assign ((resid 14 and name HD* )) ( (resid 28 and name HG2* )) 1.80 0.00 1.89
assign ((resid 14 and name HD* )) ( (resid 28 and name HN )) 1.80 0.00 3.76
assign ((resid 14 and name HD* )) ( (resid 31 and name HB* )) 1.80 0.00 1.83
assign ((resid 14 and name HD* )) ( (resid 31 and name HN )) 1.80 0.00 4.10
assign ((resid 14 and name HD* )) ( (resid 142 and name HG1* )) 1.80 0.00 4.11
assign ((resid 14 and name HD* )) ( (resid 142 and name HG2* )) 1.80 0.00 3.06
assign ((resid 14 and name HE* )) ( (resid 27 and name HB* )) 1.80 0.00 1.81
assign ((resid 14 and name HE* )) ( (resid 28 and name HG2* )) 1.80 0.00 2.82
assign ((resid 14 and name HE* )) ( (resid 31 and name HB* )) 1.80 0.00 2.20
assign ((resid 14 and name HN )) ( (resid 14 and name HD* )) 1.80 0.00 2.37
assign ((resid 14 and name HN )) ( (resid 15 and name HN )) 1.80 0.00 3.09
assign ((resid 14 and name HN )) ( (resid 31 and name HB* )) 1.80 0.00 3.89
assign ((resid 14 and name HN )) ( (resid 142 and name HB )) 1.80 0.00 3.33
assign ((resid 14 and name HN )) ( (resid 142 and name HG2* )) 1.80 0.00 2.84
assign ((resid 15 and name HA )) ( (resid 16 and name HB* )) 1.80 0.00 3.92
assign ((resid 15 and name HA )) ( (resid 16 and name HN )) 1.80 0.00 1.92
assign ((resid 15 and name HA )) ( (resid 28 and name HG1* )) 1.80 0.00 3.05
assign ((resid 15 and name HA )) ( (resid 140 and name HG* )) 1.80 0.00 4.57
assign ((resid 15 and name HA )) ( (resid 141 and name HA )) 1.80 0.00 2.29
assign ((resid 15 and name HA )) ( (resid 141 and name HG2* )) 1.80 0.00 2.63
assign ((resid 15 and name HA )) ( (resid 142 and name HG2* )) 1.80 0.00 2.82
assign ((resid 15 and name HA )) ( (resid 142 and name HN )) 1.80 0.00 2.75
assign ((resid 15 and name HB* )) ( (resid 16 and name HN )) 1.80 0.00 1.82
assign ((resid 15 and name HB* )) ( (resid 17 and name HE* )) 1.80 0.00 2.20
assign ((resid 15 and name HB* )) ( (resid 140 and name HB* )) 1.80 0.00 1.93
assign ((resid 15 and name HB* )) ( (resid 140 and name HG* )) 1.80 0.00 3.01
assign ((resid 15 and name HB* )) ( (resid 140 and name HN )) 1.80 0.00 3.58
assign ((resid 15 and name HB* )) ( (resid 141 and name HA )) 1.80 0.00 1.79
assign ((resid 15 and name HB* )) ( (resid 141 and name HG2* )) 1.80 0.00 2.18
assign ((resid 15 and name HB* )) ( (resid 141 and name HN )) 1.80 0.00 2.71
assign ((resid 15 and name HB* )) ( (resid 142 and name HN )) 1.80 0.00 2.64
assign ((resid 15 and name HN )) ( (resid 15 and name HB* )) 1.80 0.00 1.51
assign ((resid 15 and name HN )) ( (resid 16 and name HN )) 1.80 0.00 3.18
assign ((resid 15 and name HN )) ( (resid 28 and name HG1* )) 1.80 0.00 2.47
assign ((resid 15 and name HN )) ( (resid 28 and name HG2* )) 1.80 0.00 1.83
assign ((resid 16 and name HA )) ( (resid 16 and name HE* )) 1.80 0.00 2.17
assign ((resid 16 and name HA )) ( (resid 17 and name HN )) 1.80 0.00 1.42
assign ((resid 16 and name HA )) ( (resid 20 and name HD1* )) 1.80 0.00 2.75
assign ((resid 16 and name HA )) ( (resid 28 and name HG1* )) 1.80 0.00 2.39
assign ((resid 16 and name HA )) ( (resid 28 and name HG2* )) 1.80 0.00 2.63
assign ((resid 16 and name HB* )) ( (resid 28 and name HG1* )) 1.80 0.00 2.52
assign ((resid 16 and name HB* )) ( (resid 56 and name HG2* )) 1.80 0.00 3.62
assign ((resid 16 and name HB* )) ( (resid 63 and name HE* )) 1.80 0.00 2.63
assign ((resid 16 and name HB1 )) ( (resid 16 and name HE* )) 1.80 0.00 3.02
assign ((resid 16 and name HB2 )) ( (resid 16 and name HE* )) 1.80 0.00 3.02
assign ((resid 16 and name HE* )) ( (resid 17 and name HN )) 1.80 0.00 3.46
assign ((resid 16 and name HE* )) ( (resid 20 and name HD1* )) 1.80 0.00 2.72
assign ((resid 16 and name HE* )) ( (resid 25 and name HA )) 1.80 0.00 2.30
assign ((resid 16 and name HE* )) ( (resid 25 and name HD* )) 1.80 0.00 3.26
assign ((resid 16 and name HE* )) ( (resid 28 and name HB )) 1.80 0.00 2.38
assign ((resid 16 and name HE* )) ( (resid 28 and name HG1* )) 1.80 0.00 1.20
assign ((resid 16 and name HE* )) ( (resid 28 and name HG2* )) 1.80 0.00 2.80
assign ((resid 16 and name HE* )) ( (resid 29 and name HD1* )) 1.80 0.00 1.36
assign ((resid 16 and name HE* )) ( (resid 29 and name HG1* )) 1.80 0.00 1.68
assign ((resid 16 and name HE* )) ( (resid 29 and name HN )) 1.80 0.00 2.57
assign ((resid 16 and name HE* )) ( (resid 56 and name HG1* )) 1.80 0.00 1.91
assign ((resid 16 and name HE* )) ( (resid 56 and name HG2* )) 1.80 0.00 1.89
assign ((resid 16 and name HE* )) ( (resid 57 and name HA )) 1.80 0.00 2.00
assign ((resid 16 and name HE* )) ( (resid 57 and name HN )) 1.80 0.00 3.22
assign ((resid 16 and name HE* )) ( (resid 59 and name HN )) 1.80 0.00 3.71
assign ((resid 16 and name HE* )) ( (resid 63 and name HE* )) 1.80 0.00 1.60
assign ((resid 16 and name HG* )) ( (resid 16 and name HE* )) 1.80 0.00 1.41
assign ((resid 16 and name HG* )) ( (resid 17 and name HN )) 1.80 0.00 3.14
assign ((resid 16 and name HG* )) ( (resid 20 and name HD1* )) 1.80 0.00 3.12
assign ((resid 16 and name HG* )) ( (resid 28 and name HG1* )) 1.80 0.00 2.73
assign ((resid 16 and name HG* )) ( (resid 28 and name HG2* )) 1.80 0.00 3.44
assign ((resid 16 and name HG* )) ( (resid 56 and name HG1* )) 1.80 0.00 3.99
assign ((resid 16 and name HG* )) ( (resid 56 and name HG2* )) 1.80 0.00 3.20
assign ((resid 16 and name HN )) ( (resid 16 and name HB1 )) 1.80 0.00 2.45
assign ((resid 16 and name HN )) ( (resid 16 and name HB2 )) 1.80 0.00 2.45
assign ((resid 16 and name HN )) ( (resid 16 and name HE* )) 1.80 0.00 3.64
assign ((resid 16 and name HN )) ( (resid 16 and name HG1 )) 1.80 0.00 3.55
assign ((resid 16 and name HN )) ( (resid 16 and name HG2 )) 1.80 0.00 3.55
assign ((resid 16 and name HN )) ( (resid 17 and name HN )) 1.80 0.00 3.37
assign ((resid 16 and name HN )) ( (resid 28 and name HG1* )) 1.80 0.00 2.71
assign ((resid 16 and name HN )) ( (resid 63 and name HE* )) 1.80 0.00 3.20
assign ((resid 16 and name HN )) ( (resid 140 and name HA )) 1.80 0.00 3.40
assign ((resid 16 and name HN )) ( (resid 140 and name HB* )) 1.80 0.00 3.55
assign ((resid 16 and name HN )) ( (resid 141 and name HA )) 1.80 0.00 2.68
assign ((resid 17 and name HA )) ( (resid 17 and name HG* )) 1.80 0.00 2.04
assign ((resid 17 and name HB* )) ( (resid 18 and name HD1 )) 1.80 0.00 2.40
assign ((resid 17 and name HB* )) ( (resid 18 and name HD2 )) 1.80 0.00 2.40
assign ((resid 17 and name HD* )) ( (resid 20 and name HD2* )) 1.80 0.00 2.63
assign ((resid 17 and name HE* )) ( (resid 20 and name HD1* )) 1.80 0.00 3.36
assign ((resid 17 and name HE* )) ( (resid 20 and name HD2* )) 1.80 0.00 2.52
assign ((resid 17 and name HG* )) ( (resid 17 and name HE* )) 1.80 0.00 1.45
assign ((resid 17 and name HG* )) ( (resid 18 and name HD* )) 1.80 0.00 3.40
assign ((resid 17 and name HG* )) ( (resid 20 and name HD2* )) 1.80 0.00 2.59
assign ((resid 17 and name HN )) ( (resid 17 and name HB* )) 1.80 0.00 1.76
assign ((resid 17 and name HN )) ( (resid 17 and name HD* )) 1.80 0.00 3.22
assign ((resid 17 and name HN )) ( (resid 17 and name HG* )) 1.80 0.00 1.83
assign ((resid 17 and name HN )) ( (resid 20 and name HD1* )) 1.80 0.00 2.03
assign ((resid 17 and name HN )) ( (resid 20 and name HD2* )) 1.80 0.00 2.66
assign ((resid 17 and name HN )) ( (resid 20 and name HG )) 1.80 0.00 2.19
assign ((resid 18 and name HA )) ( (resid 19 and name HN )) 1.80 0.00 2.10
assign ((resid 18 and name HB1 )) ( (resid 19 and name HN )) 1.80 0.00 3.12
assign ((resid 18 and name HB2 )) ( (resid 19 and name HN )) 1.80 0.00 3.12
assign ((resid 18 and name HD* )) ( (resid 19 and name HN )) 1.80 0.00 3.60
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 1.80 0.00 2.47
assign ((resid 20 and name HA )) ( (resid 20 and name HD1* )) 1.80 0.00 2.56
assign ((resid 20 and name HA )) ( (resid 20 and name HD2* )) 1.80 0.00 1.29
assign ((resid 20 and name HA )) ( (resid 21 and name HN )) 1.80 0.00 1.83
assign ((resid 20 and name HB* )) ( (resid 21 and name HN )) 1.80 0.00 2.64
assign ((resid 20 and name HB* )) ( (resid 24 and name HG1 )) 1.80 0.00 3.19
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assign ((resid 124 and name HG1* )) ( (resid 127 and name HD1* )) 1.80 0.00 2.90
assign ((resid 124 and name HG1* )) ( (resid 128 and name HG1* )) 1.80 0.00 3.09
assign ((resid 124 and name HG2* )) ( (resid 125 and name HN )) 1.80 0.00 2.57
assign ((resid 124 and name HN )) ( (resid 124 and name HB )) 1.80 0.00 2.20
assign ((resid 124 and name HN )) ( (resid 124 and name HG1* )) 1.80 0.00 2.55
assign ((resid 124 and name HN )) ( (resid 124 and name HG2* )) 1.80 0.00 1.70
assign ((resid 124 and name HN )) ( (resid 125 and name HN )) 1.80 0.00 2.39
assign ((resid 124 and name HN )) ( (resid 126 and name HN )) 1.80 0.00 3.19
assign ((resid 124 and name HN )) ( (resid 127 and name HD1* )) 1.80 0.00 4.25
assign ((resid 125 and name HA )) ( (resid 128 and name HB )) 1.80 0.00 3.91
assign ((resid 125 and name HA )) ( (resid 128 and name HG1* )) 1.80 0.00 3.08
assign ((resid 125 and name HA )) ( (resid 128 and name HG2* )) 1.80 0.00 2.15
assign ((resid 125 and name HA )) ( (resid 128 and name HN )) 1.80 0.00 3.16
assign ((resid 125 and name HA )) ( (resid 129 and name HN )) 1.80 0.00 3.13
assign ((resid 125 and name HB1 )) ( (resid 126 and name HN )) 1.80 0.00 2.61
assign ((resid 125 and name HB2 )) ( (resid 126 and name HN )) 1.80 0.00 2.61
assign ((resid 125 and name HN )) ( (resid 125 and name HB1 )) 1.80 0.00 2.33
assign ((resid 125 and name HN )) ( (resid 125 and name HB2 )) 1.80 0.00 2.33
assign ((resid 125 and name HN )) ( (resid 126 and name HN )) 1.80 0.00 1.81
assign ((resid 126 and name HA )) ( (resid 129 and name HN )) 1.80 0.00 3.58
assign ((resid 126 and name HB* )) ( (resid 127 and name HD2* )) 1.80 0.00 3.12
assign ((resid 126 and name HB* )) ( (resid 127 and name HN )) 1.80 0.00 1.98
assign ((resid 126 and name HN )) ( (resid 126 and name HB* )) 1.80 0.00 1.33
assign ((resid 126 and name HN )) ( (resid 128 and name HN )) 1.80 0.00 3.59
assign ((resid 126 and name HN )) ( (resid 129 and name HN )) 1.80 0.00 3.44
assign ((resid 127 and name HA )) ( (resid 127 and name HD1* )) 1.80 0.00 2.64
assign ((resid 127 and name HA )) ( (resid 127 and name HD2* )) 1.80 0.00 1.58
assign ((resid 127 and name HA )) ( (resid 127 and name HG )) 1.80 0.00 1.70
assign ((resid 127 and name HA )) ( (resid 130 and name HB* )) 1.80 0.00 3.52
assign ((resid 127 and name HA )) ( (resid 130 and name HN )) 1.80 0.00 2.83
assign ((resid 127 and name HB* )) ( (resid 127 and name HD1* )) 1.80 0.00 1.73
assign ((resid 127 and name HB1 )) ( (resid 128 and name HN )) 1.80 0.00 2.73
assign ((resid 127 and name HB2 )) ( (resid 128 and name HN )) 1.80 0.00 2.73
assign ((resid 127 and name HD1* )) ( (resid 128 and name HN )) 1.80 0.00 3.60
assign ((resid 127 and name HD2* )) ( (resid 128 and name HN )) 1.80 0.00 3.28
assign ((resid 127 and name HN )) ( (resid 127 and name HB1 )) 1.80 0.00 2.40
assign ((resid 127 and name HN )) ( (resid 127 and name HB2 )) 1.80 0.00 2.40
assign ((resid 127 and name HN )) ( (resid 127 and name HD1* )) 1.80 0.00 2.39
assign ((resid 127 and name HN )) ( (resid 127 and name HD2* )) 1.80 0.00 2.69
assign ((resid 127 and name HN )) ( (resid 127 and name HG )) 1.80 0.00 2.20
assign ((resid 127 and name HN )) ( (resid 128 and name HN )) 1.80 0.00 2.10
assign ((resid 127 and name HN )) ( (resid 129 and name HN )) 1.80 0.00 2.93
assign ((resid 127 and name HN )) ( (resid 130 and name HN )) 1.80 0.00 4.14
assign ((resid 128 and name HA )) ( (resid 128 and name HG1* )) 1.80 0.00 1.72
assign ((resid 128 and name HA )) ( (resid 128 and name HG2* )) 1.80 0.00 1.94
assign ((resid 128 and name HA )) ( (resid 130 and name HN )) 1.80 0.00 2.91
assign ((resid 128 and name HB )) ( (resid 129 and name HN )) 1.80 0.00 2.72
assign ((resid 128 and name HG1* )) ( (resid 129 and name HN )) 1.80 0.00 3.01
assign ((resid 128 and name HG1* )) ( (resid 130 and name HN )) 1.80 0.00 4.13
assign ((resid 128 and name HG1* )) ( (resid 133 and name HD* )) 1.80 0.00 4.28
assign ((resid 128 and name HG2* )) ( (resid 129 and name HN )) 1.80 0.00 2.28
assign ((resid 128 and name HG2* )) ( (resid 133 and name HD* )) 1.80 0.00 4.25
assign ((resid 128 and name HN )) ( (resid 128 and name HB )) 1.80 0.00 2.28
assign ((resid 128 and name HN )) ( (resid 128 and name HG1* )) 1.80 0.00 2.22
assign ((resid 128 and name HN )) ( (resid 128 and name HG2* )) 1.80 0.00 1.73
assign ((resid 128 and name HN )) ( (resid 129 and name HN )) 1.80 0.00 1.99
assign ((resid 128 and name HN )) ( (resid 130 and name HN )) 1.80 0.00 3.26
assign ((resid 129 and name HB1 )) ( (resid 130 and name HN )) 1.80 0.00 3.01
assign ((resid 129 and name HB2 )) ( (resid 130 and name HN )) 1.80 0.00 3.01
assign ((resid 129 and name HN )) ( (resid 129 and name HB* )) 1.80 0.00 1.74
assign ((resid 129 and name HN )) ( (resid 130 and name HN )) 1.80 0.00 1.87
assign ((resid 130 and name HA )) ( (resid 131 and name HN )) 1.80 0.00 2.04
assign ((resid 130 and name HA )) ( (resid 132 and name HN )) 1.80 0.00 3.17
assign ((resid 130 and name HB1 )) ( (resid 131 and name HN )) 1.80 0.00 3.12
assign ((resid 130 and name HB1 )) ( (resid 132 and name HN )) 1.80 0.00 3.32
assign ((resid 130 and name HB2 )) ( (resid 131 and name HN )) 1.80 0.00 3.12
assign ((resid 130 and name HB2 )) ( (resid 132 and name HN )) 1.80 0.00 3.32
assign ((resid 130 and name HG )) ( (resid 133 and name HN )) 1.80 0.00 2.64
assign ((resid 130 and name HN )) ( (resid 130 and name HB1 )) 1.80 0.00 2.29
assign ((resid 130 and name HN )) ( (resid 130 and name HB2 )) 1.80 0.00 2.29
assign ((resid 130 and name HN )) ( (resid 130 and name HG )) 1.80 0.00 2.63
assign ((resid 130 and name HN )) ( (resid 131 and name HN )) 1.80 0.00 3.14
assign ((resid 130 and name HN )) ( (resid 133 and name HB* )) 1.80 0.00 3.85
assign ((resid 131 and name HA )) ( (resid 131 and name HE22 )) 1.80 0.00 3.46
assign ((resid 131 and name HA )) ( (resid 131 and name HG* )) 1.80 0.00 2.07
assign ((resid 131 and name HA )) ( (resid 134 and name HB* )) 1.80 0.00 1.62
assign ((resid 131 and name HA )) ( (resid 134 and name HN )) 1.80 0.00 2.46
assign ((resid 131 and name HB* )) ( (resid 132 and name HN )) 1.80 0.00 2.05
assign ((resid 131 and name HB* )) ( (resid 134 and name HB* )) 1.80 0.00 2.66
assign ((resid 131 and name HE21 )) ( (resid 134 and name HB* )) 1.80 0.00 2.55
assign ((resid 131 and name HE22 )) ( (resid 134 and name HB* )) 1.80 0.00 2.55
assign ((resid 131 and name HG1 )) ( (resid 131 and name HE21 )) 1.80 0.00 1.98
assign ((resid 131 and name HG2 )) ( (resid 131 and name HE21 )) 1.80 0.00 1.98
assign ((resid 131 and name HN )) ( (resid 131 and name HB* )) 1.80 0.00 1.74
assign ((resid 131 and name HN )) ( (resid 131 and name HG* )) 1.80 0.00 2.80
assign ((resid 131 and name HN )) ( (resid 132 and name HN )) 1.80 0.00 2.61
assign ((resid 131 and name HN )) ( (resid 134 and name HB* )) 1.80 0.00 4.06
assign ((resid 132 and name HA )) ( (resid 135 and name HB* )) 1.80 0.00 2.47
assign ((resid 132 and name HA )) ( (resid 135 and name HN )) 1.80 0.00 3.28
assign ((resid 132 and name HB* )) ( (resid 133 and name HN )) 1.80 0.00 2.45
assign ((resid 132 and name HN )) ( (resid 132 and name HB* )) 1.80 0.00 1.97
assign ((resid 132 and name HN )) ( (resid 132 and name HG1 )) 1.80 0.00 2.77
assign ((resid 132 and name HN )) ( (resid 132 and name HG2 )) 1.80 0.00 2.77
assign ((resid 132 and name HN )) ( (resid 133 and name HN )) 1.80 0.00 2.56
assign ((resid 132 and name HN )) ( (resid 134 and name HN )) 1.80 0.00 3.52
assign ((resid 133 and name HA )) ( (resid 133 and name HD* )) 1.80 0.00 2.74
assign ((resid 133 and name HA )) ( (resid 134 and name HB* )) 1.80 0.00 3.87
assign ((resid 133 and name HA )) ( (resid 136 and name HB* )) 1.80 0.00 3.66
assign ((resid 133 and name HA )) ( (resid 136 and name HN )) 1.80 0.00 3.56
assign ((resid 133 and name HA )) ( (resid 137 and name HN )) 1.80 0.00 3.28
assign ((resid 133 and name HB1 )) ( (resid 134 and name HN )) 1.80 0.00 2.70
assign ((resid 133 and name HB2 )) ( (resid 134 and name HN )) 1.80 0.00 2.70
assign ((resid 133 and name HD* )) ( (resid 134 and name HN )) 1.80 0.00 3.34
assign ((resid 133 and name HN )) ( (resid 133 and name HB1 )) 1.80 0.00 2.49
assign ((resid 133 and name HN )) ( (resid 133 and name HB2 )) 1.80 0.00 2.49
assign ((resid 133 and name HN )) ( (resid 133 and name HD* )) 1.80 0.00 3.22
assign ((resid 133 and name HN )) ( (resid 134 and name HN )) 1.80 0.00 1.93
assign ((resid 133 and name HN )) ( (resid 135 and name HN )) 1.80 0.00 3.89
assign ((resid 134 and name HA )) ( (resid 137 and name HN )) 1.80 0.00 3.00
assign ((resid 134 and name HB* )) ( (resid 135 and name HN )) 1.80 0.00 1.72
assign ((resid 134 and name HB* )) ( (resid 137 and name HN )) 1.80 0.00 3.90
assign ((resid 134 and name HB* )) ( (resid 138 and name HN )) 1.80 0.00 4.01
assign ((resid 134 and name HN )) ( (resid 134 and name HB* )) 1.80 0.00 1.29
assign ((resid 134 and name HN )) ( (resid 135 and name HN )) 1.80 0.00 2.04
assign ((resid 135 and name HB* )) ( (resid 136 and name HD* )) 1.80 0.00 3.80
assign ((resid 135 and name HB1 )) ( (resid 136 and name HN )) 1.80 0.00 2.62
assign ((resid 135 and name HB2 )) ( (resid 136 and name HN )) 1.80 0.00 2.62
assign ((resid 135 and name HN )) ( (resid 135 and name HB* )) 1.80 0.00 1.71
assign ((resid 135 and name HN )) ( (resid 136 and name HN )) 1.80 0.00 2.23
assign ((resid 136 and name HA )) ( (resid 136 and name HD* )) 1.80 0.00 2.67
assign ((resid 136 and name HB* )) ( (resid 137 and name HN )) 1.80 0.00 2.75
assign ((resid 136 and name HD* )) ( (resid 137 and name HN )) 1.80 0.00 3.73
assign ((resid 136 and name HN )) ( (resid 136 and name HB* )) 1.80 0.00 1.97
assign ((resid 136 and name HN )) ( (resid 136 and name HD* )) 1.80 0.00 2.28
assign ((resid 136 and name HN )) ( (resid 136 and name HE* )) 1.80 0.00 4.46
assign ((resid 136 and name HN )) ( (resid 137 and name HN )) 1.80 0.00 1.93
assign ((resid 136 and name HN )) ( (resid 138 and name HN )) 1.80 0.00 2.82
assign ((resid 137 and name HB* )) ( (resid 138 and name HN )) 1.80 0.00 2.64
assign ((resid 137 and name HN )) ( (resid 138 and name HN )) 1.80 0.00 1.81
assign ((resid 138 and name HA* )) ( (resid 139 and name HN )) 1.80 0.00 1.54
assign ((resid 138 and name HA* )) ( (resid 140 and name HN )) 1.80 0.00 2.96
assign ((resid 138 and name HN )) ( (resid 139 and name HN )) 1.80 0.00 3.35
assign ((resid 139 and name HA )) ( (resid 139 and name HG* )) 1.80 0.00 2.19
assign ((resid 139 and name HB* )) ( (resid 140 and name HN )) 1.80 0.00 2.77
assign ((resid 139 and name HG* )) ( (resid 140 and name HN )) 1.80 0.00 2.56
assign ((resid 139 and name HN )) ( (resid 139 and name HG* )) 1.80 0.00 2.45
assign ((resid 139 and name HN )) ( (resid 140 and name HN )) 1.80 0.00 1.94
assign ((resid 140 and name HA )) ( (resid 140 and name HG* )) 1.80 0.00 2.03
assign ((resid 140 and name HG* )) ( (resid 141 and name HN )) 1.80 0.00 2.63
assign ((resid 140 and name HN )) ( (resid 140 and name HB* )) 1.80 0.00 2.04
assign ((resid 140 and name HN )) ( (resid 140 and name HG1 )) 1.80 0.00 2.50
assign ((resid 140 and name HN )) ( (resid 140 and name HG2 )) 1.80 0.00 2.50
assign ((resid 140 and name HN )) ( (resid 141 and name HN )) 1.80 0.00 1.79
assign ((resid 141 and name HA )) ( (resid 141 and name HG2* )) 1.80 0.00 1.79
assign ((resid 141 and name HA )) ( (resid 142 and name HG2* )) 1.80 0.00 2.52
assign ((resid 141 and name HG2* )) ( (resid 142 and name HN )) 1.80 0.00 1.85
assign ((resid 141 and name HG2* )) ( (resid 144 and name HD* )) 1.80 0.00 2.49
assign ((resid 141 and name HG2* )) ( (resid 144 and name HE* )) 1.80 0.00 2.05
assign ((resid 141 and name HG2* )) ( (resid 144 and name HN )) 1.80 0.00 3.51
assign ((resid 141 and name HN )) ( (resid 141 and name HB )) 1.80 0.00 1.47
assign ((resid 141 and name HN )) ( (resid 141 and name HG2* )) 1.80 0.00 2.91
assign ((resid 141 and name HN )) ( (resid 142 and name HN )) 1.80 0.00 3.34
assign ((resid 142 and name HA )) ( (resid 142 and name HG1* )) 1.80 0.00 2.09
assign ((resid 142 and name HA )) ( (resid 142 and name HG2* )) 1.80 0.00 2.13
assign ((resid 142 and name HA )) ( (resid 143 and name HG* )) 1.80 0.00 3.82
assign ((resid 142 and name HG1* )) ( (resid 143 and name HD* )) 1.80 0.00 2.05
assign ((resid 142 and name HG2* )) ( (resid 143 and name HD* )) 1.80 0.00 3.32
assign ((resid 142 and name HN )) ( (resid 142 and name HG1* )) 1.80 0.00 2.80
assign ((resid 142 and name HN )) ( (resid 142 and name HG2* )) 1.80 0.00 1.79
assign ((resid 143 and name HA )) ( (resid 144 and name HD* )) 1.80 0.00 3.89
assign ((resid 143 and name HA )) ( (resid 144 and name HN )) 1.80 0.00 1.93
assign ((resid 143 and name HB* )) ( (resid 144 and name HN )) 1.80 0.00 2.52
assign ((resid 144 and name HA )) ( (resid 145 and name HB* )) 1.80 0.00 3.60
assign ((resid 144 and name HA )) ( (resid 145 and name HN )) 1.80 0.00 1.81
assign ((resid 144 and name HB* )) ( (resid 145 and name HN )) 1.80 0.00 2.07
assign ((resid 144 and name HD* )) ( (resid 145 and name HB* )) 1.80 0.00 3.96
assign ((resid 144 and name HD* )) ( (resid 145 and name HN )) 1.80 0.00 2.77
assign ((resid 144 and name HE* )) ( (resid 146 and name HG* )) 1.80 0.00 2.82
assign ((resid 144 and name HN )) ( (resid 144 and name HD* )) 1.80 0.00 2.73
assign ((resid 144 and name HN )) ( (resid 145 and name HN )) 1.80 0.00 3.69
assign ((resid 145 and name HA )) ( (resid 145 and name HD1* )) 1.80 0.00 3.15
assign ((resid 145 and name HA )) ( (resid 146 and name HN )) 1.80 0.00 1.84
assign ((resid 145 and name HB* )) ( (resid 145 and name HD2* )) 1.80 0.00 1.97
assign ((resid 145 and name HB1 )) ( (resid 145 and name HD1* )) 1.80 0.00 1.46
assign ((resid 145 and name HB1 )) ( (resid 146 and name HN )) 1.80 0.00 3.58
assign ((resid 145 and name HB2 )) ( (resid 145 and name HD1* )) 1.80 0.00 1.46
assign ((resid 145 and name HB2 )) ( (resid 146 and name HN )) 1.80 0.00 3.58
assign ((resid 145 and name HD1* )) ( (resid 146 and name HN )) 1.80 0.00 3.77
assign ((resid 145 and name HD2* )) ( (resid 146 and name HN )) 1.80 0.00 3.38
assign ((resid 145 and name HN )) ( (resid 145 and name HB1 )) 1.80 0.00 2.27
assign ((resid 145 and name HN )) ( (resid 145 and name HB2 )) 1.80 0.00 2.27
assign ((resid 145 and name HN )) ( (resid 145 and name HD1* )) 1.80 0.00 2.61
assign ((resid 145 and name HN )) ( (resid 145 and name HD2* )) 1.80 0.00 2.30
assign ((resid 145 and name HN )) ( (resid 145 and name HG )) 1.80 0.00 2.19
assign ((resid 145 and name HN )) ( (resid 146 and name HN )) 1.80 0.00 3.38
assign ((resid 146 and name HA )) ( (resid 146 and name HD* )) 1.80 0.00 3.63
assign ((resid 146 and name HB* )) ( (resid 146 and name HE )) 1.80 0.00 2.70
assign ((resid 146 and name HB* )) ( (resid 147 and name HN )) 1.80 0.00 2.47
assign ((resid 146 and name HN )) ( (resid 146 and name HD* )) 1.80 0.00 3.87
assign ((resid 146 and name HN )) ( (resid 146 and name HG* )) 1.80 0.00 2.82
assign ((resid 146 and name HN )) ( (resid 147 and name HN )) 1.80 0.00 2.61
assign ((resid 147 and name HA* )) ( (resid 148 and name HB* )) 1.80 0.00 3.29
assign ((resid 147 and name HA* )) ( (resid 148 and name HN )) 1.80 0.00 1.40
assign ((resid 148 and name HA )) ( (resid 148 and name HD1* )) 1.80 0.00 2.59
assign ((resid 148 and name HA )) ( (resid 148 and name HG )) 1.80 0.00 2.26
assign ((resid 148 and name HA )) ( (resid 149 and name HN )) 1.80 0.00 1.52
assign ((resid 148 and name HB* )) ( (resid 148 and name HD2* )) 1.80 0.00 1.48
assign ((resid 148 and name HB1 )) ( (resid 148 and name HD1* )) 1.80 0.00 1.94
assign ((resid 148 and name HB1 )) ( (resid 149 and name HN )) 1.80 0.00 3.05
assign ((resid 148 and name HB2 )) ( (resid 148 and name HD1* )) 1.80 0.00 1.94
assign ((resid 148 and name HB2 )) ( (resid 149 and name HN )) 1.80 0.00 3.05
assign ((resid 148 and name HD2* )) ( (resid 149 and name HN )) 1.80 0.00 2.45
assign ((resid 148 and name HG )) ( (resid 149 and name HN )) 1.80 0.00 3.60
assign ((resid 148 and name HN )) ( (resid 148 and name HD1* )) 1.80 0.00 3.36
assign ((resid 148 and name HN )) ( (resid 148 and name HD2* )) 1.80 0.00 3.74
assign ((resid 149 and name HA )) ( (resid 149 and name HG1 )) 1.80 0.00 2.50
assign ((resid 149 and name HA )) ( (resid 149 and name HG2 )) 1.80 0.00 2.50
assign ((resid 149 and name HB* )) ( (resid 150 and name HN )) 1.80 0.00 2.74
assign ((resid 149 and name HG* )) ( (resid 150 and name HN )) 1.80 0.00 3.74
assign ((resid 149 and name HN )) ( (resid 149 and name HB* )) 1.80 0.00 1.39
assign ((resid 149 and name HN )) ( (resid 149 and name HG1 )) 1.80 0.00 2.16
assign ((resid 149 and name HN )) ( (resid 149 and name HG2 )) 1.80 0.00 2.16
list of removed NOE constraints
====== TOTAL ======: 0
table of distance constraints violations
Residual Violations greater than 0.10
1-> LYS 10 HA - ARG 11 HN [ 1.80 3.39] 0.08 0.12 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.16 - 6 [ 0.08 .. 0.17]
18-> GLN 12 HG* - LYS 13 HN [ 1.80 4.09] 0.00 0.00 0.00 0.00 0.09 0.00 0.01 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.27]
19-> GLN 12 HN - GLN 12 HB3 [ 1.80 3.99] 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 - 2 [ 0.09 .. 0.10]
24-> LYS 13 HA - LYS 13 HE* [ 1.80 5.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 - 1 [ 0.13 .. 0.13]
36-> LYS 13 HN - LYS 13 HG* [ 1.80 3.66] 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
107-> MET 16 HE* - VAL 28 HG1* [ 1.80 3.00] 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.04 .. 0.11]
139-> LYS 17 HD* - LEU 20 HD2* [ 1.80 4.43] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.20 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.13 .. 0.20]
157-> LEU 20 HA - LEU 20 HD2* [ 1.80 3.09] 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.35 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.31 .. 0.35]
160-> LEU 20 HB* - GLU 24 HG3 [ 1.80 4.99] 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 - 2 [ 0.02 .. 0.10]
162-> LEU 20 HB* - LYS 25 HE* [ 1.80 4.08] 0.00 0.00 0.00 0.00 0.00 0.21 0.03 0.00 0.00 0.00 0.00 0.00 0.28 0.29 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.03 .. 0.29]
168-> LEU 20 HD1* - GLU 24 HB* [ 1.80 3.96] 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.11 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.11 .. 0.17]
211-> LEU 23 HA - LEU 23 HD2* [ 1.80 3.17] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 - 1 [ 0.24 .. 0.24]
212-> LEU 23 HA - LEU 23 HG [ 1.80 4.15] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 - 1 [ 0.10 .. 0.10]
232-> LEU 23 HN - LEU 23 HG [ 1.80 3.71] 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.03 0.00 0.00 - 3 [ 0.03 .. 0.12]
310-> ILE 29 HD1* - GLU 53 HG2 [ 1.80 4.15] 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.13]
411-> ILE 36 HD1* - HIS 96 HD2 [ 1.80 4.94] 0.16 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.11 0.00 0.00 0.10 0.00 0.00 0.11 0.09 0.04 0.02 0.05 0.00 - 9 [ 0.02 .. 0.16]
455-> ARG 39 HB* - ASP 40 HN [ 1.80 3.66] 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.07 0.00 0.12 0.12 0.00 0.18 0.00 0.13 0.00 - 6 [ 0.06 .. 0.18]
456-> ARG 39 HB* - ILE 41 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.08 0.05 0.00 0.13 0.00 0.00 0.00 0.00 0.17 0.11 0.00 0.08 0.00 0.02 0.00 - 7 [ 0.02 .. 0.17]
459-> ARG 39 HN - ARG 39 HD* [ 1.80 5.08] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 - 2 [ 0.03 .. 0.10]
472-> ILE 41 HB - TYR 45 HE* [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 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 [ 0.21 .. 0.21]
473-> ILE 41 HD1* - THR 42 HN [ 1.80 4.85] 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.11 0.00 0.00 0.22 - 4 [ 0.01 .. 0.22]
482-> ILE 41 HG2* - THR 42 HN [ 1.80 4.25] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 - 1 [ 0.12 .. 0.12]
487-> ILE 41 HG2* - ILE 49 HG2* [ 1.80 5.61] 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 - 2 [ 0.03 .. 0.11]
502-> THR 42 HG2* - TYR 45 HE* [ 1.80 4.61] 0.06 0.00 0.22 0.07 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.01 0.00 0.00 0.09 0.18 - 8 [ 0.01 .. 0.23]
526-> TYR 45 HE* - LEU 75 HD1* [ 1.80 4.88] 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 - 3 [ 0.01 .. 0.14]
528-> TYR 45 HN - TYR 45 HB* [ 1.80 3.31] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 - 2 [ 0.00 .. 0.12]
532-> SER 46 HB* - ILE 49 HD1* [ 1.80 3.88] 0.06 0.04 0.02 0.00 0.02 0.00 0.00 0.00 0.06 0.03 0.09 0.00 0.00 0.00 0.04 0.03 0.04 0.00 0.09 0.12 - 12 [ 0.02 .. 0.12]
543-> GLN 47 HG* - SER 48 HB* [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
551-> ILE 49 HA - ILE 49 HD1* [ 1.80 3.74] 0.04 0.04 0.00 0.00 0.00 0.04 0.00 0.00 0.08 0.09 0.05 0.00 0.00 0.05 0.09 0.09 0.08 0.07 0.04 0.14 - 13 [ 0.04 .. 0.14]
779-> LYS 64 HD* - GLU 139 HA [ 1.80 4.69] 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.06 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.12]
830-> VAL 67 HG2* - PRO 143 HG* [ 1.80 4.04] 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.19 .. 0.19]
935-> ARG 77 HD* - LYS 78 HN [ 1.80 4.92] 0.00 0.00 0.00 0.05 0.00 0.00 0.14 0.00 0.02 0.00 0.00 0.00 0.00 0.05 0.00 0.02 0.00 0.00 0.00 0.00 - 5 [ 0.02 .. 0.14]
960-> GLN 79 HN - GLN 79 HE2* [ 1.80 4.68] 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.02 0.08 0.00 0.12 0.00 0.00 - 5 [ 0.02 .. 0.12]
963-> GLN 79 HN - PHE 80 HN [ 1.80 4.47] 0.00 0.00 0.00 0.00 0.04 0.00 0.06 0.00 0.01 0.09 0.00 0.04 0.00 0.09 0.05 0.11 0.00 0.10 0.00 0.03 - 10 [ 0.01 .. 0.11]
968-> PHE 80 HB* - LEU 92 HD1* [ 1.80 4.31] 0.00 0.09 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.17]
987-> PHE 81 HN - PRO 83 HD* [ 1.80 4.44] 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
994-> GLU 82 HN - GLU 82 HG* [ 1.80 3.98] 0.05 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.05 0.00 0.05 0.00 0.00 0.03 0.01 0.05 0.13 0.01 0.05 - 11 [ 0.01 .. 0.13]
1134-> LEU 92 HA - ARG 95 HD* [ 1.80 4.69] 0.00 0.02 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.12]
1198-> ARG 95 HD* - LEU 145 HD2* [ 1.80 5.00] 0.00 0.00 0.02 0.04 0.00 0.00 0.06 0.00 0.00 0.04 0.00 0.00 0.13 0.00 0.05 0.06 0.00 0.00 0.00 0.00 - 7 [ 0.02 .. 0.13]
1234-> ILE 97 HG2* - ASP 129 HN [ 1.80 5.91] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 - 2 [ 0.02 .. 0.14]
1236-> ILE 97 HG2* - TYR 133 HD* [ 1.80 4.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.04 0.00 0.11 0.00 0.00 0.00 0.03 0.00 0.04 0.05 0.06 0.09 - 8 [ 0.03 .. 0.11]
1311-> ARG 105 HD* - GLN 109 HE22 [ 1.80 5.19] 0.10 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 - 3 [ 0.01 .. 0.12]
1361-> GLN 109 HA - GLN 109 HG3 [ 1.80 3.63] 0.00 0.00 0.06 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 - 3 [ 0.06 .. 0.11]
1374-> GLN 109 HN - GLN 109 HG2 [ 1.80 4.33] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.07 0.08 0.00 0.07 0.00 0.09 0.00 - 5 [ 0.07 .. 0.11]
1678-> TYR 133 HA - PHE 137 HN [ 1.80 5.08] 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.20]
1705-> TYR 136 HN - GLY 138 HN [ 1.80 4.62] 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.19 .. 0.19]
1728-> THR 141 HN - THR 141 HB [ 1.80 3.27] 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 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
1743-> TYR 144 HB* - LEU 145 HN [ 1.80 3.87] 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.12 0.10 0.00 - 4 [ 0.05 .. 0.12]
1746-> TYR 144 HE* - ARG 146 HG* [ 1.80 4.62] 0.00 0.15 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.05 0.00 - 4 [ 0.01 .. 0.15]
1757-> LEU 145 HD2* - ARG 146 HN [ 1.80 5.18] 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.10]
1761-> LEU 145 HN - LEU 145 HD2* [ 1.80 4.10] 0.00 0.04 0.00 0.13 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.13 0.00 - 5 [ 0.02 .. 0.13]
1762-> LEU 145 HN - LEU 145 HG [ 1.80 3.99] 0.00 0.09 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.15 0.04 - 5 [ 0.04 .. 0.20]
1774-> LEU 148 HA - GLU 149 HN [ 1.80 3.32] 0.00 0.00 0.00 0.06 0.00 0.00 0.05 0.00 0.00 0.00 0.07 0.00 0.00 0.20 0.00 0.00 0.15 0.00 0.00 0.00 - 5 [ 0.05 .. 0.20]
1781-> LEU 148 HG - GLU 149 HN [ 1.80 5.40] 0.00 0.20 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.20]
1790-> GLU 149 HN - GLU 149 HG2 [ 1.80 3.96] 0.41 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.00 .. 0.41]
1815-> TYR 45 HN - THR 42 O [ 1.70 2.30] 0.00 0.08 0.08 0.02 0.04 0.00 0.00 0.05 0.00 0.01 0.00 0.00 0.00 0.11 0.04 0.00 0.01 0.05 0.00 0.05 - 11 [ 0.01 .. 0.11]
-------------------------------------------
Number of Violations greater than 0.10 2 5 3 4 6 5 4 3 3 1 2 1 7 10 4 1 3 8 6 8
-------------------------------------------
---- 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: 1 5 2 4 6 2 4 1 2 1 2 1 4 6 3 1 3 7 6 7 3.40
0.2 - 0.5 ang: 1 0 1 0 0 3 0 2 1 0 0 0 3 4 1 0 0 1 0 1 0.90
> 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 56 66 58 59 65 52 62 45 71 54 57 57 50 55 59 56 61 61 71 66 59.05
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 : 0.411 0.198 0.215 0.196 0.198 0.322 0.195 0.234 0.268 0.169 0.172 0.104 0.331 0.351 0.400 0.109 0.179 0.241 0.145 0.223 0.411
Max Intra Viol : 0.411 0.110 0.104 0.196 0.151 0.322 0.080 0.071 0.079 0.091 0.098 0.081 0.331 0.351 0.400 0.093 0.084 0.241 0.145 0.144 0.411
Max Seque Viol : 0.087 0.198 0.054 0.138 0.111 0.079 0.136 0.043 0.268 0.169 0.172 0.091 0.249 0.201 0.116 0.109 0.179 0.123 0.132 0.223 0.268
Max Medium Viol : 0.096 0.151 0.215 0.132 0.198 0.149 0.082 0.234 0.131 0.037 0.086 0.071 0.166 0.204 0.111 0.041 0.090 0.084 0.116 0.183 0.234
Max Long Viol : 0.161 0.107 0.126 0.081 0.168 0.207 0.195 0.137 0.106 0.057 0.108 0.104 0.284 0.288 0.111 0.089 0.058 0.059 0.140 0.115 0.288
Average Violation : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.001 0.001 0.002 0.002 0.002 0.00126
Avge Intra Viol : 0.002 0.001 0.001 0.001 0.001 0.002 0.000 0.000 0.001 0.001 0.000 0.001 0.001 0.002 0.002 0.001 0.001 0.003 0.002 0.002 0.00115
Avge Seque Viol : 0.001 0.002 0.002 0.002 0.002 0.002 0.001 0.002 0.001 0.001 0.001 0.001 0.001 0.002 0.002 0.001 0.001 0.001 0.002 0.002 0.00151
Avge Mediu Viol : 0.001 0.001 0.000 0.001 0.001 0.001 0.002 0.000 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.000 0.001 0.001 0.001 0.001 0.00087
Avge Long Viol : 0.002 0.002 0.001 0.001 0.002 0.001 0.002 0.001 0.002 0.001 0.002 0.001 0.002 0.001 0.002 0.001 0.001 0.001 0.002 0.002 0.00157
RMS Violation : 0.013 0.010 0.009 0.010 0.011 0.014 0.010 0.010 0.010 0.007 0.008 0.007 0.014 0.015 0.012 0.007 0.009 0.012 0.011 0.012 0.01074
RMS Intra : 0.020 0.008 0.007 0.011 0.009 0.021 0.005 0.005 0.006 0.007 0.006 0.005 0.016 0.019 0.020 0.007 0.008 0.018 0.013 0.012 0.01249
RMS Sequential : 0.007 0.011 0.013 0.011 0.016 0.012 0.007 0.016 0.008 0.004 0.008 0.008 0.010 0.015 0.009 0.005 0.007 0.007 0.011 0.013 0.01049
RMS Medium range : 0.006 0.012 0.003 0.009 0.007 0.007 0.011 0.003 0.013 0.009 0.009 0.007 0.012 0.013 0.007 0.005 0.012 0.010 0.009 0.014 0.00940
RMS Long range : 0.012 0.010 0.009 0.008 0.011 0.011 0.014 0.009 0.010 0.006 0.009 0.007 0.017 0.014 0.009 0.009 0.007 0.006 0.011 0.010 0.01032
Final --global-- Summary for 20 models, 1906 NOEs/model, 38120 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 47.927
Summ sq. viol : 4.398
Maximum viol : 0.411
Average viol : 0.00126
RMSD viol : 0.01074
Std. Dev. viol : 0.01067
RMS Intra : 0.01249
RMS Seque : 0.01049
RMS Medi : 0.00940
RMS Long : 0.01032
table of dihedral angle constraints violations
2-> [TYR A 14] PSI 83.3 170.9 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 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.1]
6-> [MET A 16] PSI 45.6 -174.4 0.0 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.7]
40-> [GLN A 35] PSI -44.0 -4.0 0.9 0.0 0.0 0.0 1.0 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.4 1.3 0.0 0.0 0.0 0.6 0.4 0.0 - 8 [ 0.0 .. 1.3]
41-> [ILE A 36] PHI -89.7 -42.3 0.0 0.0 0.0 2.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.7 0.0 2.8 0.0 0.0 0.0 - 4 [ 0.0 .. 2.8]
100-> [TYR A 76] PSI -63.9 -23.9 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 3.9 0.4 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 3.9]
102-> [ARG A 77] PSI -64.2 -24.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.1]
108-> [SER A 87] PSI -56.9 -16.9 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.3]
124-> [ARG A 95] PSI -57.3 -17.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.4 0.0 - 2 [ 0.0 .. 2.4]
130-> [LEU A 98] PSI -45.4 34.6 0.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.9]
171-> [VAL A 128] PHI -84.4 -44.4 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.0]
172-> [VAL A 128] PSI -61.7 -21.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 - 1 [ 0.0 .. 1.2]
175-> [GLN A 131] PHI -79.6 -39.6 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.0]
183-> [ASP A 135] PHI -82.4 -42.4 0.0 1.6 0.6 0.5 1.5 0.0 0.0 0.0 0.0 2.3 0.6 0.0 0.8 0.4 0.5 0.0 0.0 0.0 0.0 0.0 - 9 [ 0.0 .. 2.3]
184-> [ASP A 135] PSI -61.6 -21.6 0.0 0.7 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.2]
188-> [PHE A 137] PSI -40.7 37.5 0.0 0.8 1.0 0.0 1.2 0.0 1.7 0.1 0.3 0.9 0.0 0.0 0.0 0.6 0.2 0.0 0.0 0.0 0.8 0.6 - 11 [ 0.0 .. 1.7]
190-> [GLU A 139] PSI -67.7 3.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3]
193-> [THR A 141] PHI -96.3 -45.1 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 1.3 0.4 0.0 0.8 0.0 0.0 - 3 [ 0.0 .. 1.3]
---- 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 : 0 2 1 3 4 1 2 0 1 1 1 0 0 2 3 1 1 0 2 0 1.25
> 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 5 7 3 7 11 5 8 7 6 6 5 4 4 7 8 5 5 4 6 2 5.75
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 : 0.9 1.6 1.0 2.3 1.5 1.0 1.7 0.5 1.0 2.3 1.3 0.5 0.8 1.3 3.9 1.3 2.8 0.8 2.4 0.6 3.89
Max PHI Viol : 0.5 1.6 1.0 2.0 1.5 1.0 0.8 0.5 1.0 2.3 0.6 0.5 0.8 0.4 1.7 0.4 2.8 0.8 0.5 0.5 2.83
Max PSI Viol : 0.9 1.1 1.0 2.3 1.2 0.9 1.7 0.4 0.7 0.9 1.3 0.0 0.5 1.3 3.9 1.3 0.4 0.6 2.4 0.6 3.89
Average 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 0.020
Avge PHI Viol : 0.076 0.141 0.129 0.188 0.147 0.128 0.166 0.100 0.121 0.187 0.107 0.099 0.091 0.063 0.196 0.061 0.190 0.117 0.090 0.075 0.131
Avge PSI Viol : 0.157 0.186 0.103 0.211 0.221 0.126 0.197 0.102 0.108 0.108 0.116 0.010 0.117 0.205 0.221 0.170 0.066 0.089 0.219 0.075 0.152
RMS Violation : 0.107 0.164 0.113 0.267 0.190 0.111 0.197 0.062 0.096 0.184 0.106 0.044 0.080 0.144 0.322 0.120 0.208 0.083 0.202 0.055 0.159
RMS PHI Viol : 0.053 0.164 0.120 0.220 0.154 0.119 0.131 0.070 0.111 0.244 0.069 0.062 0.081 0.040 0.219 0.037 0.291 0.099 0.060 0.055 0.140
RMS PSI Viol : 0.142 0.163 0.106 0.307 0.221 0.102 0.246 0.054 0.078 0.089 0.133 0.001 0.079 0.200 0.399 0.165 0.039 0.064 0.279 0.056 0.177
Final --global-- Summary for 20 models, 196 ACOs/model, 3920 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 78.97
Summ. Sq. Viol. : 99.66
Max. Viol. : 3.889
Avg. Viol. : 0.02014
RMS Viol. : 0.15945
Std. Dev. Viol. : 0.15817
JPEG image for inter-residue distance constraints per residue plot
S(phi)|S(psi) V/S Residue number
Text output from PDBStat of phi psi order
# CHAIN .GT. SUM.GT.
# RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6
# -----------------------------------------------------------------------------------
PRO A 1 0.619 0.988 0.923
GLN A 2 0.642 0.342 0.514 0.525 0.169
SER A 3 0.402 0.430 0.355
TYR A 4 0.442 0.298 0.305 0.179
PHE A 5 0.672 0.256 0.160 0.216
ASN A 6 0.282 0.535 0.514 0.571
ALA A 7 0.759 0.412
ALA A 8 0.761 0.119
ALA A 9 0.490 0.180
LYS A 10 0.301 0.243 0.373 0.553 0.433 0.269
ARG A 11 0.359 0.546 0.455 0.574 0.344 0.816 0.998
GLN A 12 0.556 0.705 0.262 0.567 0.097
LYS A 13 0.608 0.804 0.446 0.780 0.334 0.381
TYR A 14 0.980 0.941 0.993 0.555 14 14
ALA A 15 0.973 0.988 15 15
MET A 16 0.984 0.944 0.658 0.224 0.074 16 16
LYS A 17 0.921 0.993 0.603 0.983 0.646 0.328 17 17
PRO A 18 0.996 0.876 0.954 0.884 18
GLY A 19 0.829 0.886 19
LEU A 20 0.923 0.981 0.739 0.744 20 20
SER A 21 0.983 0.991 0.650 21 21
ALA A 22 0.999 0.993 22 22
LEU A 23 0.998 0.994 0.906 0.782 23 23
GLU A 24 0.997 0.999 0.797 0.158 0.358 24 24
LYS A 25 0.999 0.998 0.779 0.925 0.717 0.808 25 25
ASN A 26 0.999 0.999 0.606 0.708 26 26
ALA A 27 0.999 0.999 27 27
VAL A 28 0.998 0.998 0.998 28 28
ILE A 29 0.999 0.997 0.998 0.774 29 29
LYS A 30 0.999 0.996 0.710 0.637 0.655 0.303 30 30
ALA A 31 0.999 0.998 31 31
ALA A 32 0.999 0.996 32 32
TYR A 33 0.997 0.990 0.992 0.893 33 33
ARG A 34 0.992 0.977 0.612 0.722 0.083 0.713 0.998 34 34
GLN A 35 0.984 0.977 0.463 0.129 0.173 35 35
ILE A 36 0.989 0.992 0.998 0.665 36 36
PHE A 37 0.979 0.963 0.997 0.897 37 37
GLU A 38 0.993 0.988 0.566 0.652 0.302 38 38
ARG A 39 0.518 0.579 0.524 0.556 0.361 0.828 0.998
ASP A 40 0.642 0.408 0.256 0.402
ILE A 41 0.680 0.871 0.928 0.953
THR A 42 0.659 0.798 0.179
LYS A 43 0.539 0.354 0.651 0.876 0.364 0.434
ALA A 44 0.299 0.859
TYR A 45 0.678 0.307 0.654 0.376
SER A 46 0.287 0.338 0.129
GLN A 47 0.499 0.904 0.423 0.497 0.246
SER A 48 0.997 0.994 0.723 48 48
ILE A 49 0.998 0.994 0.997 0.550 49 49
SER A 50 0.996 0.996 0.143 50 50
TYR A 51 0.997 0.994 0.994 0.986 51 51
LEU A 52 0.999 0.998 0.999 0.999 52 52
GLU A 53 0.998 0.996 0.927 0.826 0.270 53 53
SER A 54 0.993 0.994 0.087 54 54
GLN A 55 0.998 0.997 0.991 0.456 0.259 55 55
VAL A 56 0.997 0.997 0.999 56 56
ARG A 57 0.997 0.992 0.761 0.842 0.149 0.720 0.998 57 57
ASN A 58 0.983 0.974 0.598 0.439 58 58
GLY A 59 0.976 0.993 59 59
ASP A 60 0.995 0.995 0.770 0.622 60 60
ILE A 61 0.991 0.986 0.999 1.000 61 61
SER A 62 0.981 0.986 0.275 62 62
MET A 63 0.998 0.994 0.687 0.426 0.298 63 63
LYS A 64 0.995 0.990 0.834 0.558 0.784 0.537 64 64
GLU A 65 0.997 0.996 0.640 0.073 0.313 65 65
PHE A 66 0.999 0.997 0.998 0.994 66 66
VAL A 67 0.999 0.999 0.999 67 67
ARG A 68 0.998 0.993 0.710 0.951 0.141 0.769 0.997 68 68
ARG A 69 0.997 0.991 0.777 0.413 0.561 0.708 0.997 69 69
LEU A 70 0.996 0.995 0.997 1.000 70 70
ALA A 71 0.998 0.993 71 71
LYS A 72 0.985 0.975 0.591 0.887 0.629 0.359 72 72
SER A 73 0.992 0.994 0.573 73 73
PRO A 74 0.999 0.996 0.940 0.854 74 74
LEU A 75 0.998 0.990 0.881 0.787 75 75
TYR A 76 0.994 0.990 0.995 0.698 76 76
ARG A 77 0.990 0.989 0.604 0.859 0.490 0.730 0.999 77 77
LYS A 78 0.990 0.961 0.639 0.663 0.492 0.512 78 78
GLN A 79 0.968 0.120 0.994 0.567 0.356
PHE A 80 0.112 0.771 0.733 0.347
PHE A 81 0.839 0.967 0.997 0.900 81
GLU A 82 0.885 0.903 0.678 0.307 0.286 82
PRO A 83 0.981 0.890 0.936 0.878 83
PHE A 84 0.966 0.845 0.998 0.603 84
ILE A 85 0.897 0.977 0.452 0.797 85
ASN A 86 0.996 0.985 0.301 0.509 86 86
SER A 87 0.997 0.986 0.173 87 87
ARG A 88 0.987 0.996 0.632 0.194 0.337 0.694 0.998 88 88
ALA A 89 0.999 0.997 89 89
LEU A 90 0.999 0.997 0.997 0.999 90 90
GLU A 91 0.997 0.993 0.529 0.600 0.449 91 91
LEU A 92 0.999 0.997 0.693 0.984 92 92
ALA A 93 0.999 0.998 93 93
PHE A 94 0.999 0.992 0.958 0.318 94 94
ARG A 95 0.990 0.983 0.650 0.849 0.248 0.615 0.998 95 95
HIS A 96 0.995 0.992 0.745 0.672 96 96
ILE A 97 0.990 0.987 0.999 1.000 97 97
LEU A 98 0.975 0.983 0.948 0.831 98 98
GLY A 99 0.971 0.949 99 99
ARG A 100 0.905 0.337 0.773 0.714 0.112 0.707 0.998
GLY A 101 0.278 0.967
PRO A 102 0.991 0.958 0.947 0.870 102 102
SER A 103 0.955 0.949 0.485 103 103
SER A 104 0.927 0.969 0.362 104 104
ARG A 105 0.995 0.990 0.108 0.543 0.461 0.701 0.998 105 105
GLU A 106 0.994 0.991 0.384 0.319 0.414 106 106
GLU A 107 0.998 0.993 0.922 0.614 0.559 107 107
VAL A 108 0.999 0.998 0.999 108 108
GLN A 109 0.998 0.995 0.689 0.608 0.054 109 109
LYS A 110 0.999 0.997 0.966 0.875 0.937 0.161 110 110
TYR A 111 0.994 0.999 0.999 0.223 111 111
PHE A 112 0.999 0.999 0.997 0.996 112 112
SER A 113 0.999 0.997 0.386 113 113
ILE A 114 0.997 0.999 0.999 1.000 114 114
VAL A 115 0.999 0.998 0.999 115 115
SER A 116 0.999 0.981 0.300 116 116
SER A 117 0.987 0.992 0.140 117 117
GLY A 118 0.984 0.917 118 118
GLY A 119 0.927 0.988 119 119
LEU A 120 0.999 1.000 0.951 0.999 120 120
PRO A 121 0.999 0.995 0.946 0.856 121 121
ALA A 122 0.996 0.998 122 122
LEU A 123 0.999 0.996 0.999 0.999 123 123
VAL A 124 1.000 0.998 0.999 124 124
ASP A 125 0.998 0.995 0.660 0.396 125 125
ALA A 126 0.999 0.997 126 126
LEU A 127 0.993 0.993 0.999 1.000 127 127
VAL A 128 0.993 0.990 0.997 128 128
ASP A 129 0.984 0.941 0.743 0.784 129 129
SER A 130 0.989 0.984 0.377 130 130
GLN A 131 0.995 0.987 0.687 0.512 0.347 131 131
GLU A 132 0.997 0.994 0.489 0.401 0.353 132 132
TYR A 133 0.994 0.983 0.535 0.429 133 133
ALA A 134 0.994 0.985 134 134
ASP A 135 0.994 0.981 0.782 0.359 135 135
TYR A 136 0.987 0.982 0.823 0.352 136 136
PHE A 137 0.960 0.972 0.703 0.260 137 137
GLY A 138 0.965 0.929 138 138
GLU A 139 0.968 0.987 0.763 0.651 0.215 139 139
GLU A 140 0.987 0.981 0.612 0.810 0.313 140 140
THR A 141 0.987 0.988 0.957 141 141
VAL A 142 0.985 0.994 0.994 142 142
PRO A 143 0.970 0.928 0.928 0.881 143 143
TYR A 144 0.910 0.635 0.603 0.193
LEU A 145 0.879 0.565 0.749 0.599
ARG A 146 0.453 0.183 0.529 0.606 0.409 0.628 0.997
GLY A 147 0.250 0.341
LEU A 148 0.299 0.324 0.422 0.424
GLU A 149 0.689 0.403 0.413 0.381 0.331
HIS A 150 0.682 0.486 0.523 0.306
HIS A 151 0.501 0.191 0.419 0.137
HIS A 152 0.700 0.542 0.421 0.291
HIS A 153 0.709 0.226 0.227 0.166
HIS A 154 0.450 0.324 0.323 0.285
HIS A 155 0.791 0.360 0.292
JPEG image of S(phi)~Residue_number Plot
JPEG image of S(psi)~Residue_number Plot
Table of Backbone and Heavy Atom RMSD
Text report of backbone and heavy atom RMSD for ordered regions
>
> Kabsch RMSD data for family `SGR209C_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 1 is: 0.787
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 2 is: 0.993
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 3 is: 0.650
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 4 is: 0.780
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 5 is: 0.850
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 6 is: 0.627
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 7 is: 0.823
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 8 is: 0.920
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 9 is: 0.802
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 10 is: 0.664
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 11 is: 0.857
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 12 is: 0.652
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 13 is: 0.587 (*)
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 14 is: 0.720
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 15 is: 0.694
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 16 is: 0.779
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 17 is: 0.772
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 18 is: 0.857
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 19 is: 0.977
> Kabsch RMSD of backbone atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 20 is: 0.822
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[14..17],[20..38],[48..78],[86..99],[102..143], is: 0.781
> Range of RMSD values to reference struct. is 0.587 to 0.993
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 1 is: 1.171
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 2 is: 1.429
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 3 is: 1.127
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 4 is: 1.308
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 5 is: 1.412
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 6 is: 1.226
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 7 is: 1.296
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 8 is: 1.349
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 9 is: 1.317
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 10 is: 1.167
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 11 is: 1.396
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 12 is: 1.072 (*)
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 13 is: 1.086
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 14 is: 1.212
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 15 is: 1.220
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 16 is: 1.256
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 17 is: 1.306
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 18 is: 1.365
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 19 is: 1.454
> Kabsch RMSD of heavy atoms in res. A[14..17],A[20..38],A[48..78],A[86..99],A[102..143],for model 20 is: 1.374
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[14..17],[20..38],[48..78],[86..99],[102..143], is: 1.277
> Range of RMSD values to reference struct. is 1.072 to 1.454
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..155],for model 1 is: 5.295
> Kabsch RMSD of backb atoms in res. *[1..155],for model 2 is: 6.682
> Kabsch RMSD of backb atoms in res. *[1..155],for model 3 is: 5.043
> Kabsch RMSD of backb atoms in res. *[1..155],for model 4 is: 4.914
> Kabsch RMSD of backb atoms in res. *[1..155],for model 5 is: 6.439
> Kabsch RMSD of backb atoms in res. *[1..155],for model 6 is: 4.691
> Kabsch RMSD of backb atoms in res. *[1..155],for model 7 is: 7.260
> Kabsch RMSD of backb atoms in res. *[1..155],for model 8 is: 5.334
> Kabsch RMSD of backb atoms in res. *[1..155],for model 9 is: 5.712
> Kabsch RMSD of backb atoms in res. *[1..155],for model 10 is: 5.470
> Kabsch RMSD of backb atoms in res. *[1..155],for model 11 is: 4.567
> Kabsch RMSD of backb atoms in res. *[1..155],for model 12 is: 5.500
> Kabsch RMSD of backb atoms in res. *[1..155],for model 13 is: 5.934
> Kabsch RMSD of backb atoms in res. *[1..155],for model 14 is: 4.421
> Kabsch RMSD of backb atoms in res. *[1..155],for model 15 is: 6.470
> Kabsch RMSD of backb atoms in res. *[1..155],for model 16 is: 4.052
> Kabsch RMSD of backb atoms in res. *[1..155],for model 17 is: 6.911
> Kabsch RMSD of backb atoms in res. *[1..155],for model 18 is: 4.792
> Kabsch RMSD of backb atoms in res. *[1..155],for model 19 is: 3.164 (*)
> Kabsch RMSD of backb atoms in res. *[1..155],for model 20 is: 4.470
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..155], is: 5.356
> Range of RMSD values to reference struct. is 3.164 to 7.260
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 1 is: 6.039
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 2 is: 7.380
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 3 is: 5.549
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 4 is: 5.638
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 5 is: 7.162
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 6 is: 5.277
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 7 is: 7.660
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 8 is: 5.999
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 9 is: 6.431
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 10 is: 5.899
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 11 is: 5.226
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 12 is: 5.974
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 13 is: 6.660
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 14 is: 5.039
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 15 is: 7.028
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 16 is: 4.556
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 17 is: 7.478
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 18 is: 5.286
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 19 is: 3.832 (*)
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 20 is: 4.886
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..155], is: 5.950
> Range of RMSD values to reference struct. is 3.832 to 7.660
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 5.4 0.8 0.8
All heavy atoms 6.0 1.3 1.3
Contact Map (constraints list and 3D Coordinates)
JPEG image of Contact Map for Constraints
JPEG image of Contact Map for Coordinates
Output from PROCHECK
Ramachandran Plot for all models
Text summary of Ramachandran Plot
+----------<<< P R O C H E C K S U M M A R Y >>>----------+
| |
| SGR209C_NMR_em_bcr3_020.rin 0.0 2280 residues |
| |
+| Ramachandran plot: 95.0% core 4.9% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 29 labelled residues (out of2280) |
+| Chi1-chi2 plots: 13 labelled residues (out of1400) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
14 -1.07
15 -0.75
16 -1.02
17 -0.31
18 -1.58
20 -0.53
21 -0.22
22 0.72
23 0.91
24 0.82
25 1.11
26 1.11
27 0.92
28 0.94
29 0.92
30 1.03
31 0.90
32 0.56
33 0.90
34 0.37
35 -0.89
36 -0.58
37 -0.77
38 -1.58
48 0.97
49 0.68
50 0.88
51 0.89
52 1.03
53 0.67
54 0.91
55 0.82
56 0.13
57 0.87
58 0.52
59 0.12
60 0.39
61 -0.54
62 -0.46
63 0.67
64 0.75
65 0.78
66 0.99
67 0.95
68 0.91
69 0.73
70 0.76
71 0.05
72 -0.41
73 0.15
74 0.34
75 0.75
76 0.58
77 0.60
78 -0.31
83 -1.46
84 -1.19
85 -2.08
86 0.49
87 0.87
88 -0.23
89 0.87
90 0.79
91 0.80
92 1.04
93 0.77
94 0.94
95 0.39
96 -0.29
97 -1.59
98 -0.80
99 0.50
102 -0.97
103 -1.30
104 -0.27
105 0.82
106 0.71
107 0.79
108 0.25
109 0.91
110 0.49
111 -0.05
112 1.14
113 1.07
114 0.81
115 -0.31
116 -0.33
117 -1.48
118 -1.20
119 -0.60
120 0.91
121 0.31
122 0.71
123 0.83
124 0.76
125 1.04
126 0.80
127 0.05
128 -0.04
129 0.18
130 -0.74
131 0.62
132 0.42
133 0.72
134 0.46
135 0.29
136 0.42
137 -1.36
138 -1.14
139 -0.58
140 -0.68
141 -0.48
142 -0.47
143 -2.31
#Reported_Model_Average 0.168
#Overall_Average_Reported 0.168
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
14 -0.41
15 -0.75
16 -0.60
17 -0.14
18 -1.58
20 -0.14
21 -0.17
22 0.72
23 0.67
24 0.28
25 1.02
26 0.56
27 0.92
28 0.76
29 0.73
30 0.70
31 0.90
32 0.56
33 0.42
34 0.36
35 -0.45
36 -0.28
37 -0.03
38 -0.58
48 0.47
49 0.48
50 0.34
51 0.63
52 0.94
53 0.24
54 0.37
55 0.69
56 -0.41
57 0.49
58 0.17
59 0.12
60 -0.15
61 -0.33
62 -0.21
63 0.00
64 0.27
65 0.49
66 0.51
67 0.85
68 0.58
69 0.29
70 0.80
71 0.05
72 -0.07
73 0.22
74 0.34
75 0.41
76 0.14
77 0.51
78 0.08
83 -1.46
84 -0.24
85 -1.34
86 -0.14
87 0.35
88 -0.27
89 0.87
90 0.55
91 0.40
92 0.54
93 0.77
94 -0.06
95 0.35
96 -0.72
97 -0.42
98 -0.26
99 0.50
102 -0.97
103 -0.73
104 -0.24
105 0.30
106 0.39
107 0.43
108 0.47
109 0.67
110 0.40
111 0.25
112 0.85
113 0.42
114 0.75
115 -0.64
116 -0.26
117 -0.79
118 -1.20
119 -0.60
120 0.64
121 0.31
122 0.71
123 0.66
124 0.72
125 0.10
126 0.80
127 0.47
128 0.17
129 -0.38
130 -0.26
131 0.11
132 0.34
133 0.18
134 0.46
135 -0.31
136 -0.11
137 -0.56
138 -1.14
139 -0.48
140 -0.56
141 -0.36
142 -0.10
143 -2.31
#Reported_Model_Average 0.095
#Overall_Average_Reported 0.095
Output from Verify3D
Verify3D Score over a window of $winsize_s residues
JPEG image for Verify3D Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
14 1.25 1.25 -0.43 -0.43 -0.43 -0.43 1.25 -0.43 1.14 -0.43 1.25 -0.43 1.25 1.25 -0.43 1.25 -0.43 1.25 1.25 1.25
15 0.49 0.49 0.49 -0.25 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49
16 0.91 1.00 0.91 0.91 0.91 0.91 1.00 0.91 0.91 1.00 0.91 1.00 0.91 0.91 1.00 0.91 0.91 0.91 0.91 0.91
17 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.08 0.47 0.47 0.47
18 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
20 0.29 0.29 -0.33 0.29 0.29 0.77 0.29 0.29 0.29 0.29 0.29 -0.68 0.29 0.29 0.29 -0.33 0.77 0.29 0.29 -0.33
21 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
22 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
23 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37
24 0.62 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 0.62 0.62 0.62 0.62
25 0.56 -0.50 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56
26 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 -0.02 -0.02 -0.02 -0.58 -0.58 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.58 -0.02
27 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 -0.02 0.44 0.44
28 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
29 0.55 0.55 0.55 0.55 0.55 1.11 1.11 1.11 0.55 0.55 1.11 0.55 0.55 0.55 1.11 1.11 1.11 1.11 1.11 1.11
30 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.07 0.66 0.66 0.07 0.66
31 0.76 0.76 0.76 0.76 0.76 0.76 0.76 -0.02 -0.02 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
32 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
33 0.27 0.86 0.86 0.27 0.27 0.27 0.27 0.86 0.86 0.27 0.27 0.27 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.27
34 0.56 1.10 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 0.56 0.56 0.56 0.56 0.56
35 0.62 0.16 0.62 0.16 0.62 0.62 0.62 -0.32 0.16 -0.32 -0.32 -0.32 -0.32 0.62 0.62 0.62 -0.32 0.62 0.62 -0.32
36 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 0.55 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
37 1.40 1.04 1.40 1.40 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 1.40
38 0.28 -0.46 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.28 0.28 0.28
48 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
49 -0.06 -0.06 1.11 0.55 1.11 0.55 -0.06 1.11 0.55 -0.06 -0.06 1.11 1.11 1.11 -0.06 0.55 0.55 1.11 1.11 -0.06
50 0.16 0.16 0.16 -0.38 0.16 0.16 0.16 0.16 -0.38 0.16 -0.38 0.16 0.16 0.16 0.16 0.16 0.16 -0.38 0.16 0.16
51 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -1.70 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55
52 0.71 1.30 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.16 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.30 0.71
53 0.62 0.09 -0.43 0.09 0.09 -0.43 0.62 0.62 0.09 0.09 0.09 0.09 -0.43 0.62 0.09 0.09 0.09 0.09 0.62 0.62
54 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 -0.38 0.16 -0.38 -0.38 -0.38 0.16
55 0.16 0.62 -0.32 0.16 -0.32 0.62 -0.32 -0.32 -0.32 0.16 0.62 0.16 -0.32 0.16 -0.32 0.16 0.62 0.62 0.62 -0.32
56 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
57 1.10 0.56 1.10 1.10 1.10 0.56 0.56 0.56 1.10 1.10 1.10 0.56 0.56 0.56 1.10 1.10 0.56 1.10 0.56 1.10
58 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 -0.02 0.32 0.32 0.32 -0.02 -0.02
59 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
60 0.23 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.23 0.51 0.51 0.23 0.23 0.23 0.51 0.23 0.51 0.51 0.51 0.23
61 -0.54 -0.54 -0.54 -0.54 -0.54 0.81 -0.54 -0.54 -0.54 -0.54 -0.54 -0.54 -0.54 -0.54 0.81 -0.54 -0.54 -0.28 -0.54 -0.54
62 0.34 0.59 0.17 0.59 0.17 0.59 0.17 0.17 0.59 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.59
63 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26
64 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.66 0.56
65 0.09 0.62 0.09 0.09 0.09 0.62 0.09 0.09 0.09 0.62 0.62 0.62 0.09 0.62 -0.43 0.09 0.09 0.09 0.62 0.62
66 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
67 0.74 0.74 0.74 0.74 0.74 0.74 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
68 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 0.56 1.10 1.10 1.10 1.10 1.10 1.10
69 1.10 -0.51 -0.11 1.10 1.10 1.10 0.56 0.56 1.10 1.10 -0.51 1.10 0.56 -0.51 0.56 0.56 -0.51 -0.51 -0.51 0.56
70 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
71 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
72 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.08
73 0.59 0.59 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.17 0.17 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
74 0.05 0.05 -0.25 -0.25 0.05 -0.25 -0.25 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 -0.25 0.05
75 -0.30 -0.46 0.71 0.71 -0.46 -0.30 -0.46 0.71 0.71 -0.30 1.30 -0.30 -0.30 0.71 0.71 -0.30 -0.46 -0.30 0.71 -0.30
76 0.27 0.86 0.27 0.86 0.86 0.27 0.27 0.86 0.27 0.27 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.27 0.86 0.27
77 0.56 0.56 1.10 -0.51 0.56 1.10 0.56 -0.11 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 1.10 0.56 0.56
78 0.66 0.66 0.07 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66
83 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
84 0.71 0.71 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84
85 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -1.63 -1.63 -1.63 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -1.63 -1.63
86 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58
87 0.47 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
88 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
89 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
90 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
91 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
92 0.16 -0.30 0.16 -0.30 -0.30 -0.30 -0.30 0.71 -0.30 0.71 -0.30 -0.46 -0.30 0.16 -0.46 -0.30 -0.30 0.16 -0.30 0.16
93 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
94 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
95 0.56 0.56 0.56 1.10 0.56 0.56 -0.20 0.56 0.56 0.56 1.10 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56
96 0.82 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.82 0.82 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61
97 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
98 0.77 0.77 0.77 0.77 0.77 1.06 0.77 0.29 1.06 -0.33 1.06 0.29 0.77 -0.33 1.06 0.77 1.06 1.06 1.06 1.06
99 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
102 0.64 0.64 0.64 0.59 0.59 0.64 0.64 0.59 0.59 0.64 0.64 0.64 0.64 0.59 0.64 0.64 0.59 0.64 0.64 0.64
103 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.17 0.17 0.34 0.34 0.34 0.34 0.34 0.17
104 0.34 0.17 0.34 0.17 0.17 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34
105 0.56 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 0.56 0.56 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 -0.20 0.56
106 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.62 0.60 0.60 0.60 0.62 0.62 0.62 0.60 0.60 0.60
107 -0.58 0.09 -0.58 -0.43 -0.43 0.62 0.62 0.09 0.09 -0.43 -0.43 0.09 0.62 -0.43 -0.58 0.62 -0.43 0.62 0.09 0.09
108 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.41 0.30 0.30
109 0.62 0.62 0.62 0.62 0.29 0.62 -0.32 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.29
110 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
111 0.27 0.86 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.86 0.86 0.27 0.27 0.27 0.27 0.27 0.27 0.27
112 -0.85 -0.85 -0.22 -1.35 -1.35 -1.35 -0.22 -1.35 -1.35 -0.22 -1.35 -1.35 -0.85 -0.85 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35
113 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
114 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 0.55 0.55 -0.06 -0.02 -0.02 -0.06
115 0.74 0.74 0.41 0.74 0.41 0.74 0.41 0.74 0.41 0.41 0.74 0.41 0.74 0.74 0.41 0.41 0.74 0.41 0.74 0.41
116 0.47 0.47 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 0.47 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38
117 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
118 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
119 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
120 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
121 -0.41 -0.41 -0.25 -0.25 -0.41 -0.25 -0.41 -0.25 -0.41 -0.41 -0.25 -0.41 -0.41 -0.41 -0.25 -0.41 -0.41 -0.41 -0.41 -0.41
122 -0.02 -0.02 0.44 -0.02 0.44 0.44 -0.02 0.44 0.44 -0.02 0.44 -0.02 0.44 -0.02 -0.02 -0.02 0.44 0.44 -0.02 -0.02
123 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
124 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
125 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
126 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.44 0.76 0.76 0.44 0.76 0.44 0.44 0.76 0.44 0.76 0.44 0.76 0.76
127 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
128 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.30 0.41
129 0.51 0.23 0.51 0.51 0.23 0.51 0.51 0.51 0.23 0.51 0.23 0.51 0.51 0.23 0.51 0.51 0.23 0.51 0.51 0.51
130 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
131 0.62 0.29 0.29 0.62 0.62 0.29 -0.32 0.29 0.29 0.62 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.29 0.29
132 0.60 0.60 0.60 0.60 0.62 0.60 0.62 0.60 0.60 0.60 0.62 0.60 0.62 0.60 0.60 0.60 0.60 0.62 0.62 0.60
133 0.50 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.50 0.50 0.50 0.86 0.86 0.86 0.50 0.86 0.50 0.50 0.50 0.50
134 -0.02 0.76 -0.02 0.76 0.76 0.76 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.76 -0.02 -0.02 -0.02 -0.02 0.76 0.76 0.76
135 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
136 -1.04 -1.04 -0.43 -0.43 1.25 1.25 1.25 1.25 -1.04 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -1.04 -0.43 -0.43 -0.43
137 0.71 1.04 0.71 0.71 -0.84 1.04 1.04 0.71 -0.84 0.71 0.71 1.04 -0.84 0.71 1.04 0.71 0.71 0.71 1.04 1.04
138 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
139 0.28 0.28 0.28 0.28 -0.46 0.28 -0.46 0.28 0.28 -0.59 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28
140 0.28 -0.59 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
141 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
142 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 -0.09 1.00
143 -0.07 0.64 0.64 0.59 -0.07 -0.07 -0.07 -0.07 0.64 -0.07 -0.11 0.59 -0.07 -0.07 0.64 0.64 0.64 0.64 0.64 0.59
#Reported_Model_Average 0.475 0.469 0.453 0.440 0.435 0.520 0.431 0.460 0.435 0.419 0.451 0.443 0.449 0.450 0.453 0.457 0.432 0.478 0.466 0.451
#Overall_Average_Reported 0.453
Output from ProsaII
ProsaII Score over a window of $winsize_s residues
JPEG image for ProsaII Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
14 1.25 1.25 -0.43 -0.43 -0.43 -0.43 1.25 -0.43 1.14 -0.43 1.25 -0.43 1.25 1.25 -0.43 1.25 -0.43 1.25 1.25 1.25
15 0.49 0.49 0.49 -0.25 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49
16 0.91 1.00 0.91 0.91 0.91 0.91 1.00 0.91 0.91 1.00 0.91 1.00 0.91 0.91 1.00 0.91 0.91 0.91 0.91 0.91
17 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.08 0.47 0.47 0.47
18 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
20 0.29 0.29 -0.33 0.29 0.29 0.77 0.29 0.29 0.29 0.29 0.29 -0.68 0.29 0.29 0.29 -0.33 0.77 0.29 0.29 -0.33
21 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
22 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
23 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37
24 0.62 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 0.62 0.62 0.62 0.62
25 0.56 -0.50 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56
26 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 -0.02 -0.02 -0.02 -0.58 -0.58 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.58 -0.02
27 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 -0.02 0.44 0.44
28 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
29 0.55 0.55 0.55 0.55 0.55 1.11 1.11 1.11 0.55 0.55 1.11 0.55 0.55 0.55 1.11 1.11 1.11 1.11 1.11 1.11
30 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.07 0.66 0.66 0.07 0.66
31 0.76 0.76 0.76 0.76 0.76 0.76 0.76 -0.02 -0.02 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
32 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
33 0.27 0.86 0.86 0.27 0.27 0.27 0.27 0.86 0.86 0.27 0.27 0.27 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.27
34 0.56 1.10 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 0.56 0.56 0.56 0.56 0.56
35 0.62 0.16 0.62 0.16 0.62 0.62 0.62 -0.32 0.16 -0.32 -0.32 -0.32 -0.32 0.62 0.62 0.62 -0.32 0.62 0.62 -0.32
36 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 0.55 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
37 1.40 1.04 1.40 1.40 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 1.40
38 0.28 -0.46 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.28 0.28 0.28
48 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
49 -0.06 -0.06 1.11 0.55 1.11 0.55 -0.06 1.11 0.55 -0.06 -0.06 1.11 1.11 1.11 -0.06 0.55 0.55 1.11 1.11 -0.06
50 0.16 0.16 0.16 -0.38 0.16 0.16 0.16 0.16 -0.38 0.16 -0.38 0.16 0.16 0.16 0.16 0.16 0.16 -0.38 0.16 0.16
51 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -1.70 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55 -0.55
52 0.71 1.30 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.16 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.30 0.71
53 0.62 0.09 -0.43 0.09 0.09 -0.43 0.62 0.62 0.09 0.09 0.09 0.09 -0.43 0.62 0.09 0.09 0.09 0.09 0.62 0.62
54 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 -0.38 0.16 -0.38 -0.38 -0.38 0.16
55 0.16 0.62 -0.32 0.16 -0.32 0.62 -0.32 -0.32 -0.32 0.16 0.62 0.16 -0.32 0.16 -0.32 0.16 0.62 0.62 0.62 -0.32
56 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
57 1.10 0.56 1.10 1.10 1.10 0.56 0.56 0.56 1.10 1.10 1.10 0.56 0.56 0.56 1.10 1.10 0.56 1.10 0.56 1.10
58 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 -0.02 0.32 0.32 0.32 -0.02 -0.02
59 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
60 0.23 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.23 0.51 0.51 0.23 0.23 0.23 0.51 0.23 0.51 0.51 0.51 0.23
61 -0.54 -0.54 -0.54 -0.54 -0.54 0.81 -0.54 -0.54 -0.54 -0.54 -0.54 -0.54 -0.54 -0.54 0.81 -0.54 -0.54 -0.28 -0.54 -0.54
62 0.34 0.59 0.17 0.59 0.17 0.59 0.17 0.17 0.59 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.59
63 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26
64 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.66 0.56
65 0.09 0.62 0.09 0.09 0.09 0.62 0.09 0.09 0.09 0.62 0.62 0.62 0.09 0.62 -0.43 0.09 0.09 0.09 0.62 0.62
66 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
67 0.74 0.74 0.74 0.74 0.74 0.74 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
68 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 0.56 1.10 1.10 1.10 1.10 1.10 1.10
69 1.10 -0.51 -0.11 1.10 1.10 1.10 0.56 0.56 1.10 1.10 -0.51 1.10 0.56 -0.51 0.56 0.56 -0.51 -0.51 -0.51 0.56
70 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
71 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
72 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.08
73 0.59 0.59 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.17 0.17 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
74 0.05 0.05 -0.25 -0.25 0.05 -0.25 -0.25 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 -0.25 0.05
75 -0.30 -0.46 0.71 0.71 -0.46 -0.30 -0.46 0.71 0.71 -0.30 1.30 -0.30 -0.30 0.71 0.71 -0.30 -0.46 -0.30 0.71 -0.30
76 0.27 0.86 0.27 0.86 0.86 0.27 0.27 0.86 0.27 0.27 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.27 0.86 0.27
77 0.56 0.56 1.10 -0.51 0.56 1.10 0.56 -0.11 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 1.10 0.56 0.56
78 0.66 0.66 0.07 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66
83 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
84 0.71 0.71 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84
85 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -1.63 -1.63 -1.63 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -1.63 -1.63
86 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58
87 0.47 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
88 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
89 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
90 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
91 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
92 0.16 -0.30 0.16 -0.30 -0.30 -0.30 -0.30 0.71 -0.30 0.71 -0.30 -0.46 -0.30 0.16 -0.46 -0.30 -0.30 0.16 -0.30 0.16
93 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
94 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
95 0.56 0.56 0.56 1.10 0.56 0.56 -0.20 0.56 0.56 0.56 1.10 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56
96 0.82 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.82 0.82 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61
97 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
98 0.77 0.77 0.77 0.77 0.77 1.06 0.77 0.29 1.06 -0.33 1.06 0.29 0.77 -0.33 1.06 0.77 1.06 1.06 1.06 1.06
99 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
102 0.64 0.64 0.64 0.59 0.59 0.64 0.64 0.59 0.59 0.64 0.64 0.64 0.64 0.59 0.64 0.64 0.59 0.64 0.64 0.64
103 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.17 0.17 0.34 0.34 0.34 0.34 0.34 0.17
104 0.34 0.17 0.34 0.17 0.17 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34
105 0.56 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 0.56 0.56 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 -0.20 0.56
106 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.62 0.60 0.60 0.60 0.62 0.62 0.62 0.60 0.60 0.60
107 -0.58 0.09 -0.58 -0.43 -0.43 0.62 0.62 0.09 0.09 -0.43 -0.43 0.09 0.62 -0.43 -0.58 0.62 -0.43 0.62 0.09 0.09
108 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.41 0.30 0.30
109 0.62 0.62 0.62 0.62 0.29 0.62 -0.32 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.29
110 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
111 0.27 0.86 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.86 0.86 0.27 0.27 0.27 0.27 0.27 0.27 0.27
112 -0.85 -0.85 -0.22 -1.35 -1.35 -1.35 -0.22 -1.35 -1.35 -0.22 -1.35 -1.35 -0.85 -0.85 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35
113 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
114 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 -0.06 0.55 0.55 -0.06 -0.02 -0.02 -0.06
115 0.74 0.74 0.41 0.74 0.41 0.74 0.41 0.74 0.41 0.41 0.74 0.41 0.74 0.74 0.41 0.41 0.74 0.41 0.74 0.41
116 0.47 0.47 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 0.47 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38
117 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
118 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
119 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
120 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
121 -0.41 -0.41 -0.25 -0.25 -0.41 -0.25 -0.41 -0.25 -0.41 -0.41 -0.25 -0.41 -0.41 -0.41 -0.25 -0.41 -0.41 -0.41 -0.41 -0.41
122 -0.02 -0.02 0.44 -0.02 0.44 0.44 -0.02 0.44 0.44 -0.02 0.44 -0.02 0.44 -0.02 -0.02 -0.02 0.44 0.44 -0.02 -0.02
123 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
124 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
125 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
126 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.44 0.76 0.76 0.44 0.76 0.44 0.44 0.76 0.44 0.76 0.44 0.76 0.76
127 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
128 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.30 0.41
129 0.51 0.23 0.51 0.51 0.23 0.51 0.51 0.51 0.23 0.51 0.23 0.51 0.51 0.23 0.51 0.51 0.23 0.51 0.51 0.51
130 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
131 0.62 0.29 0.29 0.62 0.62 0.29 -0.32 0.29 0.29 0.62 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.29 0.29
132 0.60 0.60 0.60 0.60 0.62 0.60 0.62 0.60 0.60 0.60 0.62 0.60 0.62 0.60 0.60 0.60 0.60 0.62 0.62 0.60
133 0.50 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.50 0.50 0.50 0.86 0.86 0.86 0.50 0.86 0.50 0.50 0.50 0.50
134 -0.02 0.76 -0.02 0.76 0.76 0.76 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.76 -0.02 -0.02 -0.02 -0.02 0.76 0.76 0.76
135 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
136 -1.04 -1.04 -0.43 -0.43 1.25 1.25 1.25 1.25 -1.04 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -1.04 -0.43 -0.43 -0.43
137 0.71 1.04 0.71 0.71 -0.84 1.04 1.04 0.71 -0.84 0.71 0.71 1.04 -0.84 0.71 1.04 0.71 0.71 0.71 1.04 1.04
138 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
139 0.28 0.28 0.28 0.28 -0.46 0.28 -0.46 0.28 0.28 -0.59 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28
140 0.28 -0.59 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
141 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
142 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 -0.09 1.00
143 -0.07 0.64 0.64 0.59 -0.07 -0.07 -0.07 -0.07 0.64 -0.07 -0.11 0.59 -0.07 -0.07 0.64 0.64 0.64 0.64 0.64 0.59
#Reported_Model_Average 0.475 0.469 0.453 0.440 0.435 0.520 0.431 0.460 0.435 0.419 0.451 0.443 0.449 0.450 0.453 0.457 0.432 0.478 0.466 0.451
#Overall_Average_Reported 0.453
Output from MolProbity
VdW violations from MAGE
JPEG image for MAGE VdW violation
Table of MAGE VdW violations for ordered residues across all models
#mage_clash
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
14.000 0 1 0 0 0 0 2 0 2 1 1 2 0 1 1 0 2 0 1 0
15.000 1 1 0 0 3 1 1 1 0 1 0 1 0 1 1 0 1 1 1 0
16.000 0 3 0 0 1 2 1 2 0 1 1 0 0 0 0 1 0 1 1 0
17.000 0 0 0 0 0 2 1 0 0 0 0 3 3 3 2 1 0 1 0 0
18.000 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 1 0 0
20.000 1 0 0 1 2 6 3 0 0 0 0 0 9 4 2 2 0 0 1 0
21.000 1 1 0 1 1 0 0 1 1 0 1 0 1 0 0 1 0 2 0 0
22.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
23.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0
24.000 2 1 1 3 2 2 2 2 2 1 2 1 3 2 2 2 1 0 1 1
25.000 1 1 0 1 1 2 1 1 1 1 1 0 3 3 0 2 3 1 2 1
26.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0
27.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
28.000 2 2 1 2 1 1 2 1 2 2 2 2 1 2 2 1 3 0 3 1
29.000 1 1 2 1 3 1 1 3 2 2 3 1 1 1 2 3 2 1 3 1
30.000 0 0 0 2 1 0 0 1 1 0 2 1 0 0 0 0 0 0 0 0
31.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0
32.000 0 2 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0
33.000 2 0 0 1 3 1 0 2 1 0 1 2 0 0 1 1 3 0 0 0
34.000 2 1 0 1 1 1 1 0 1 0 1 1 1 1 0 1 1 1 2 0
35.000 3 2 0 1 0 0 3 1 4 1 0 1 0 1 0 1 0 2 2 0
36.000 1 2 0 0 0 1 3 0 5 1 1 1 0 0 2 1 2 0 0 0
37.000 0 0 0 0 0 0 3 3 0 0 0 1 0 1 1 0 0 0 1 0
38.000 1 1 0 1 1 1 2 2 1 0 0 0 1 1 0 1 1 1 1 0
48.000 1 1 1 1 0 0 0 1 0 0 0 1 1 1 0 0 1 3 1 0
49.000 2 2 0 1 1 2 0 1 1 0 2 0 1 0 1 2 0 3 1 3
50.000 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0
51.000 0 1 1 1 1 0 1 1 0 1 1 0 1 0 1 1 0 1 0 0
52.000 1 1 2 1 0 0 0 1 0 1 0 2 1 1 0 0 1 1 4 0
53.000 1 1 3 0 1 1 1 1 2 1 2 1 0 2 1 3 2 1 0 0
54.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 4 0
55.000 0 1 2 1 1 0 1 1 0 1 1 0 1 0 1 1 0 1 0 0
56.000 0 1 0 0 1 1 1 1 1 1 0 0 0 1 0 1 0 1 1 0
57.000 0 1 1 0 2 0 0 0 0 0 1 0 1 1 0 1 2 1 7 2
58.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
59.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
60.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
61.000 0 0 1 1 1 0 0 0 0 1 0 0 0 0 2 2 2 0 1 1
62.000 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 2
63.000 0 1 1 0 0 0 0 1 0 0 3 2 0 0 0 2 1 1 1 1
64.000 4 0 2 1 1 1 10 1 2 4 4 3 0 1 3 3 4 3 0 3
65.000 5 0 3 1 1 1 0 0 3 1 0 0 1 0 2 2 2 1 2 3
66.000 1 0 1 2 1 0 1 1 0 0 1 0 2 1 1 0 0 2 2 0
67.000 3 2 1 0 0 1 2 0 2 0 1 2 0 0 1 2 1 1 0 1
68.000 4 0 1 2 1 3 1 1 3 1 3 2 0 1 1 1 2 1 1 1
69.000 2 0 3 0 0 0 0 2 5 1 0 1 3 0 0 0 0 1 4 2
70.000 1 0 1 1 1 0 2 2 0 0 1 0 2 2 2 0 0 2 3 0
71.000 0 0 0 0 1 1 0 0 1 1 0 1 2 2 1 2 1 1 1 2
72.000 0 0 0 0 1 3 0 0 2 2 1 1 2 0 1 0 2 0 1 1
73.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
74.000 1 0 0 0 0 1 0 0 1 0 1 0 0 1 0 1 0 1 1 0
75.000 0 0 3 0 0 0 1 1 0 0 0 1 1 0 0 0 0 0 1 1
76.000 0 0 0 1 0 0 2 2 0 0 2 0 1 0 1 0 0 0 0 0
77.000 2 1 1 0 1 2 1 1 1 1 0 1 0 2 0 0 1 1 0 0
78.000 0 0 0 0 0 1 0 1 1 0 0 0 3 0 3 1 2 0 1 0
83.000 1 1 1 0 1 2 2 1 2 1 2 2 1 0 1 1 2 1 1 2
84.000 0 0 1 2 0 0 0 0 0 2 2 1 1 0 0 1 0 2 1 1
85.000 0 1 2 1 4 0 0 1 0 1 0 0 0 0 0 0 1 0 1 1
86.000 0 0 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 1
87.000 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
88.000 0 1 1 0 1 0 0 2 2 1 2 0 0 0 0 2 1 1 3 1
89.000 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 1
90.000 1 0 1 0 1 0 0 1 2 1 0 1 1 2 1 0 1 1 2 0
91.000 0 1 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 0
92.000 1 1 0 0 2 0 0 1 2 0 1 0 0 0 3 1 2 1 1 0
93.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
94.000 1 0 1 1 0 1 1 2 2 1 1 4 0 4 2 0 2 0 2 3
95.000 0 1 1 0 1 0 1 1 0 0 1 0 0 0 1 2 0 0 1 0
96.000 0 0 0 1 0 0 0 0 4 0 0 0 0 0 1 1 1 0 0 0
97.000 1 1 0 0 1 0 3 0 1 1 2 0 1 1 1 0 1 2 0 0
98.000 1 0 0 2 0 2 1 0 1 1 1 0 4 0 2 0 0 1 0 5
99.000 0 0 0 1 2 0 0 0 0 0 0 2 2 0 0 0 0 0 1 0
102.000 1 2 0 0 2 1 0 1 1 0 0 1 1 1 2 0 1 3 3 0
103.000 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
104.000 2 1 1 2 2 3 1 1 3 1 2 1 1 1 1 1 1 5 0 1
105.000 0 0 0 0 0 1 0 0 0 1 3 0 0 0 0 0 0 2 0 0
106.000 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 3 0 2
107.000 1 0 0 1 2 1 0 0 2 0 2 0 1 0 0 2 0 4 1 0
108.000 2 3 1 1 2 3 1 2 2 2 1 2 2 2 2 0 2 5 3 1
109.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0
110.000 0 0 0 0 2 0 0 0 1 0 0 0 1 1 0 1 0 1 0 0
111.000 0 1 0 0 0 1 0 1 2 0 2 2 0 0 0 3 1 2 1 3
112.000 1 0 0 0 0 1 2 1 0 0 1 0 0 0 0 0 0 1 0 0
113.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
114.000 0 1 0 0 1 0 0 0 2 0 0 1 0 1 0 2 0 2 0 1
115.000 1 0 0 1 1 2 1 2 1 1 3 0 2 2 0 1 0 1 0 2
116.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
117.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
118.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
119.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1
120.000 4 3 5 3 3 2 3 5 2 2 1 3 2 3 2 2 3 1 3 3
121.000 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 1 2 1 2 2
122.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
123.000 1 0 1 1 2 2 0 3 1 2 1 0 3 2 0 1 1 2 0 1
124.000 1 0 1 1 3 1 0 0 1 1 2 1 1 3 1 2 3 3 3 2
125.000 0 0 0 0 0 1 0 0 1 0 0 2 0 1 0 0 0 0 0 2
126.000 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0
127.000 2 1 1 1 0 1 2 1 2 1 1 0 3 0 2 0 0 1 0 1
128.000 1 0 1 1 2 0 1 1 2 1 6 1 0 2 0 0 3 2 1 1
129.000 0 1 0 2 1 1 0 0 1 1 0 0 0 0 1 0 0 2 1 0
130.000 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 3 0 0
131.000 6 0 0 1 1 1 0 0 1 1 0 1 0 0 0 0 1 0 0 4
132.000 0 0 1 0 0 0 0 0 0 0 2 0 3 0 0 0 1 0 0 0
133.000 4 3 1 0 1 1 0 1 1 0 3 1 1 3 1 0 0 2 0 2
134.000 2 0 0 1 4 2 0 0 2 2 1 1 0 0 0 0 3 0 0 0
135.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
136.000 0 0 1 0 2 0 0 0 0 0 0 0 1 0 1 1 1 0 0 1
137.000 3 3 0 0 2 4 0 2 1 0 2 0 0 3 1 3 0 0 0 1
138.000 1 0 0 0 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
139.000 6 0 2 3 0 0 2 1 1 3 1 1 0 2 2 2 2 0 0 3
140.000 0 1 0 0 2 0 1 1 0 0 0 3 0 0 0 0 1 0 2 0
141.000 2 1 0 0 3 1 0 4 0 2 0 0 0 0 1 2 1 1 1 0
142.000 2 3 0 1 2 0 4 0 1 0 1 3 0 0 0 1 1 0 0 1
143.000 4 1 1 3 1 0 5 0 2 1 0 1 0 2 0 0 0 0 0 0
#Reported_Model_Average 0.904 0.614 0.561 0.553 0.860 0.702 0.746 0.702 0.877 0.553 0.816 0.632 0.693 0.667 0.614 0.702 0.746 0.912 0.807 0.684
#Overall_Average_Reported 0.717
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 131 GLN HA :A 131 GLN 2HE2 : -0.832: 0
: 2503:A 131 GLN HA :A 131 GLN NE2 : -0.488: 0
: 2503:A 131 GLN 2HE2 :A 131 GLN CA : -0.474: 0
: 2503:A 68 ARG 1HG :A 65 GLU HA : -0.786: 0
: 2503:A 68 ARG HE :A 65 GLU 2HG : -0.654: 0
: 2503:A 65 GLU 1HG :A 69 ARG HE : -0.561: 0
: 2503:A 69 ARG 2HG :A 65 GLU O : -0.499: 0
: 2503:A 68 ARG 2HB :A 128 VAL 1HG1 : -0.476: 0
: 2503:A 68 ARG 1HG :A 65 GLU CA : -0.421: 0
: 2503:A 144 TYR HA :A 35 GLN 1HG : -0.772: 0
: 2503:A 148 LEU 2HB :A 137 PHE 2HB : -0.771: 0
: 2503:A 150 HIS HA :A 138 GLY O : -0.727: 0
: 2503:A 152 HIS H :A 134 ALA 1HB : -0.680: 0
: 2503:A 150 HIS 1HB :A 64 LYS 1HB : -0.638: 0
: 2503:A 148 LEU 3HD1 :A 141 THR 1HG2 : -0.580: 0
: 2503:A 153 HIS 1HB :A 152 HIS O : -0.571: 0
: 2503:A 150 HIS O :A 134 ALA HA : -0.566: 0
: 2503:A 150 HIS HE1 :A 67 VAL 1HG2 : -0.558: 0
: 2503:A 144 TYR HA :A 35 GLN CG : -0.551: 0
: 2503:A 150 HIS CE1 :A 143 PRO 2HD : -0.543: 0
: 2503:A 133 TYR HA :A 137 PHE CD1 : -0.538: 0
: 2503:A 64 LYS CB :A 150 HIS 1HB : -0.516: 0
: 2503:A 152 HIS 1HB :A 64 LYS 1HE : -0.510: 0
: 2503:A 143 PRO 1HD :A 142 VAL 3HG1 : -0.507: 0
: 2503:A 150 HIS CB :A 64 LYS 1HB : -0.506: 0
: 2503:A 36 ILE 1HD1 :A 67 VAL 3HG1 : -0.500: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.492: 0
: 2503:A 67 VAL 1HG2 :A 150 HIS CE1 : -0.468: 0
: 2503:A 133 TYR HA :A 137 PHE CE1 : -0.468: 0
: 2503:A 143 PRO O :A 35 GLN 1HG : -0.466: 0
: 2503:A 142 VAL 1HG2 :A 28 VAL 3HG1 : -0.444: 0
: 2503:A 149 GLU 2HG :A 150 HIS N : -0.436: 0
: 2503:A 133 TYR HD2 :A 149 GLU CB : -0.435: 0
: 2503:A 24 GLU 1HG :A 21 SER 2HB : -0.432: 0
: 2503:A 147 GLY C :A 148 LEU 2HD1 : -0.432: 0
: 2503:A 149 GLU 1HG :A 133 TYR 2HB : -0.430: 0
: 2503:A 141 THR 1HG2 :A 148 LEU 1HB : -0.425: 0
: 2503:A 150 HIS N :A 149 GLU CG : -0.423: 0
: 2503:A 150 HIS NE2 :A 143 PRO 2HD : -0.423: 0
: 2503:A 150 HIS H :A 149 GLU CD : -0.404: 0
: 2503:A 151 HIS H :A 139 GLU HA : -0.765: 0
: 2503:A 151 HIS H :A 139 GLU CA : -0.632: 0
: 2503:A 151 HIS 2HB :A 139 GLU 2HB : -0.621: 0
: 2503:A 139 GLU CD :A 139 GLU H : -0.562: 0
: 2503:A 139 GLU HA :A 151 HIS N : -0.443: 0
: 2503:A 135 ASP HA :A 151 HIS CD2 : -0.401: 0
: 2503:A 102 PRO 1HB :A 108 VAL 2HG2 : -0.669: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.573: 0
: 2503:A 104 SER O :A 107 GLU 2HB : -0.427: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.628: 0
: 2503:A 33 TYR CZ :A 49 ILE 3HG2 : -0.597: 0
: 2503:A 33 TYR CD1 :A 41 ILE 1HD1 : -0.498: 0
: 2503:A 45 TYR C :A 49 ILE 2HD1 : -0.436: 0
: 2503:A 120 LEU 3HD2 :A 77 ARG HA : -0.588: 0
: 2503:A 120 LEU N :A 121 PRO 1HD : -0.575: 0
: 2503:A 124 VAL 3HG2 :A 120 LEU O : -0.448: 0
: 2503:A 89 ALA 1HB :A 120 LEU 3HD1 : -0.443: 0
: 2503:A 74 PRO HA :A 77 ARG 2HB : -0.437: 0
: 2503:A 100 ARG O :A 94 PHE 2HB : -0.578: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.577: 0
: 2503:A 34 ARG 2HD :A 40 ASP OD1 : -0.531: 0
: 2503:A 98 LEU 1HD1 :A 127 LEU 2HD2 : -0.497: 0
: 2503:A 127 LEU 2HD1 :A 97 ILE 2HD1 : -0.429: 0
: 2503:A 115 VAL 2HG1 :A 112 PHE HA : -0.496: 0
: 2503:A 15 ALA O :A 20 LEU 1HD1 : -0.489: 0
: 2503:A 66 PHE O :A 70 LEU HG : -0.488: 0
: 2503:A 53 GLU 2HB :A 50 SER O : -0.451: 0
: 2503:A 52 LEU HG :A 48 SER O : -0.441: 0
: 2503:A 80 PHE HD2 :A 92 LEU 3HD1 : -0.422: 0
: 2503:A 146 ARG 2HG :A 146 ARG O : -0.406: 0
: 2503:A 90 LEU 2HD1 :A 123 LEU 1HD2 : -0.406: 0
: 2503:A 29 ILE 2HG1 :A 25 LYS O : -0.403: 0
#sum2 ::28.77 clashscore : 28.77 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278925 potential dots:17430.0 A^2:72 bumps:72 bumps B<40:517.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 133 TYR HA :A 137 PHE HD2 : -0.940: 0
: 2503:A 133 TYR HA :A 137 PHE CD2 : -0.672: 0
: 2503:A 137 PHE 1HB :A 133 TYR O : -0.455: 0
: 2503:A 147 GLY 1HA :A 35 GLN HA : -0.765: 0
: 2503:A 35 GLN 1HG :A 147 GLY 2HA : -0.449: 0
: 2503:A 141 THR 3HG2 :A 13 LYS 2HB : -0.753: 0
: 2503:A 49 ILE HB :A 46 SER HA : -0.708: 0
: 2503:A 45 TYR CE2 :A 42 THR HB : -0.549: 0
: 2503:A 43 LYS 2HG :A 42 THR 2HG2 : -0.519: 0
: 2503:A 46 SER 2HB :A 50 SER OG : -0.458: 0
: 2503:A 49 ILE 2HD1 :A 45 TYR O : -0.454: 0
: 2503:A 55 GLN 1HG :A 51 TYR O : -0.643: 0
: 2503:A 142 VAL HB :A 14 TYR 1HB : -0.615: 0
: 2503:A 36 ILE 1HG1 :A 32 ALA O : -0.496: 0
: 2503:A 63 MET O :A 67 VAL 3HG2 : -0.464: 0
: 2503:A 67 VAL 3HG1 :A 36 ILE 2HD1 : -0.445: 0
: 2503:A 32 ALA HA :A 142 VAL CG1 : -0.429: 0
: 2503:A 143 PRO 1HD :A 142 VAL 3HG1 : -0.417: 0
: 2503:A 140 GLU O :A 15 ALA HA : -0.590: 0
: 2503:A 120 LEU N :A 121 PRO 1HD : -0.572: 0
: 2503:A 120 LEU 2HD2 :A 81 PHE 1HB : -0.547: 0
: 2503:A 120 LEU 3HD2 :A 77 ARG HA : -0.537: 0
: 2503:A 16 MET 1HG :A 28 VAL 1HG1 : -0.552: 0
: 2503:A 16 MET SD :A 56 VAL 2HG2 : -0.463: 0
: 2503:A 28 VAL 1HG1 :A 16 MET CG : -0.432: 0
: 2503:A 52 LEU HG :A 48 SER O : -0.545: 0
: 2503:A 80 PHE HE1 :A 92 LEU 2HD2 : -0.535: 0
: 2503:A 24 GLU 1HG :A 21 SER 1HB : -0.533: 0
: 2503:A 127 LEU 2HD1 :A 97 ILE 2HD1 : -0.528: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.515: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.504: 0
: 2503:A 108 VAL CG2 :A 102 PRO 2HB : -0.489: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.483: 0
: 2503:A 108 VAL 2HG2 :A 102 PRO 2HB : -0.467: 0
: 2503:A 100 ARG 1HH2 :A 103 SER 2HB : -0.482: 0
: 2503:A 100 ARG NH2 :A 103 SER 2HB : -0.416: 0
: 2503:A 95 ARG O :A 146 ARG 2HD : -0.468: 0
: 2503:A 85 ILE 2HG1 :A 88 ARG H : -0.455: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.439: 0
: 2503:A 87 SER O :A 91 GLU 2HG : -0.436: 0
: 2503:A 53 GLU CD :A 57 ARG 1HH2 : -0.435: 0
: 2503:A 29 ILE 1HG1 :A 25 LYS O : -0.435: 0
: 2503:A 129 ASP OD2 :A 126 ALA HA : -0.404: 0
#sum2 ::17.18 clashscore : 17.18 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278952 potential dots:17430.0 A^2:43 bumps:43 bumps B<40:573.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 150 HIS H :A 148 LEU HG : -0.807: 0
: 2503:A 148 LEU H :A 148 LEU 3HD2 : -0.474: 0
: 2503:A 151 HIS 1HB :A 150 HIS O : -0.401: 0
: 2503:A 79 GLN HA :A 79 GLN 2HE2 : -0.781: 0
: 2503:A 79 GLN 2HE2 :A 79 GLN CA : -0.505: 0
: 2503:A 45 TYR 2HB :A 75 LEU 3HD2 : -0.684: 0
: 2503:A 75 LEU 1HD1 :A 42 THR HB : -0.624: 0
: 2503:A 45 TYR 2HB :A 75 LEU CD2 : -0.509: 0
: 2503:A 120 LEU N :A 121 PRO 1HD : -0.624: 0
: 2503:A 89 ALA 2HB :A 81 PHE HA : -0.482: 0
: 2503:A 120 LEU 2HD2 :A 81 PHE 1HB : -0.450: 0
: 2503:A 77 ARG 1HG :A 120 LEU 3HD2 : -0.438: 0
: 2503:A 124 VAL 3HG2 :A 120 LEU O : -0.433: 0
: 2503:A 120 LEU N :A 121 PRO CD : -0.405: 0
: 2503:A 53 GLU 1HB :A 29 ILE 3HD1 : -0.591: 0
: 2503:A 53 GLU 1HB :A 29 ILE 1HG2 : -0.562: 0
: 2503:A 53 GLU 1HG :A 50 SER O : -0.518: 0
: 2503:A 139 GLU CD :A 139 GLU H : -0.588: 0
: 2503:A 52 LEU HG :A 48 SER O : -0.573: 0
: 2503:A 65 GLU 2HB :A 69 ARG 1HH1 : -0.569: 0
: 2503:A 69 ARG NH1 :A 65 GLU 2HB : -0.550: 0
: 2503:A 52 LEU 3HD1 :A 69 ARG 2HB : -0.500: 0
: 2503:A 61 ILE HB :A 65 GLU 1HB : -0.410: 0
: 2503:A 55 GLN 2HG :A 51 TYR O : -0.554: 0
: 2503:A 55 GLN 2HB :A 60 ASP 1HB : -0.433: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.548: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.538: 0
: 2503:A 85 ILE HB :A 84 PHE O : -0.522: 0
: 2503:A 88 ARG H :A 85 ILE 3HG2 : -0.519: 0
: 2503:A 57 ARG NH2 :A 22 ALA 1HB : -0.495: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.495: 0
: 2503:A 40 ASP OD2 :A 43 LYS 2HE : -0.481: 0
: 2503:A 136 TYR 1HB :A 132 GLU O : -0.481: 0
: 2503:A 90 LEU O :A 94 PHE 1HB : -0.471: 0
: 2503:A 66 PHE O :A 70 LEU HG : -0.459: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.457: 0
: 2503:A 91 GLU O :A 95 ARG 1HG : -0.439: 0
: 2503:A 143 PRO 2HG :A 133 TYR OH : -0.438: 0
: 2503:A 64 LYS 1HE :A 64 LYS 2HB : -0.430: 0
: 2503:A 123 LEU O :A 127 LEU HG : -0.411: 0
: 2503:A 63 MET O :A 67 VAL 3HG2 : -0.410: 0
#sum2 ::16.38 clashscore : 16.38 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278881 potential dots:17430.0 A^2:41 bumps:41 bumps B<40:646.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 143 PRO 2HB :A 146 ARG 1HD : -0.768: 0
: 2503:A 146 ARG 1HG :A 99 GLY 1HA : -0.636: 0
: 2503:A 143 PRO CB :A 146 ARG 1HD : -0.552: 0
: 2503:A 35 GLN 1HG :A 143 PRO 1HB : -0.498: 0
: 2503:A 146 ARG 2HD :A 96 HIS O : -0.469: 0
: 2503:A 84 PHE HD2 :A 82 GLU 2HB : -0.707: 0
: 2503:A 82 GLU 2HB :A 84 PHE CD2 : -0.512: 0
: 2503:A 42 THR HB :A 45 TYR 1HB : -0.604: 0
: 2503:A 42 THR O :A 45 TYR 1HB : -0.533: 0
: 2503:A 42 THR HB :A 45 TYR CB : -0.408: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.589: 0
: 2503:A 64 LYS CE :A 129 ASP HA : -0.415: 0
: 2503:A 68 ARG 1HH2 :A 129 ASP CG : -0.414: 0
: 2503:A 142 VAL 1HG2 :A 28 VAL 3HG1 : -0.584: 0
: 2503:A 24 GLU 1HB :A 20 LEU 2HB : -0.474: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.445: 0
: 2503:A 21 SER 2HB :A 24 GLU OE1 : -0.418: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.580: 0
: 2503:A 98 LEU 1HD1 :A 127 LEU 2HD2 : -0.579: 0
: 2503:A 94 PHE CD2 :A 98 LEU 2HD1 : -0.440: 0
: 2503:A 120 LEU N :A 121 PRO 1HD : -0.549: 0
: 2503:A 76 TYR HD2 :A 120 LEU 1HD2 : -0.518: 0
: 2503:A 124 VAL 3HG2 :A 120 LEU O : -0.475: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.543: 0
: 2503:A 104 SER 1HB :A 107 GLU 1HB : -0.504: 0
: 2503:A 29 ILE 1HG1 :A 25 LYS O : -0.506: 0
: 2503:A 87 SER H :A 85 ILE 1HG1 : -0.489: 0
: 2503:A 49 ILE HB :A 43 LYS O : -0.486: 0
: 2503:A 43 LYS 1HD :A 43 LYS H : -0.450: 0
: 2503:A 55 GLN 2HG :A 51 TYR O : -0.464: 0
: 2503:A 61 ILE HB :A 65 GLU 1HB : -0.459: 0
: 2503:A 139 GLU H :A 139 GLU CD : -0.438: 0
: 2503:A 139 GLU 1HB :A 62 SER CB : -0.426: 0
: 2503:A 134 ALA 3HB :A 131 GLN HA : -0.434: 0
: 2503:A 52 LEU HG :A 48 SER O : -0.427: 0
: 2503:A 33 TYR CZ :A 66 PHE HZ : -0.421: 0
: 2503:A 66 PHE O :A 70 LEU HG : -0.403: 0
: 2503:A 123 LEU 1HB :A 115 VAL HB : -0.410: 0
: 2503:A 30 LYS 2HD :A 30 LYS O : -0.403: 0
#sum2 ::15.58 clashscore : 15.58 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279024 potential dots:17440.0 A^2:39 bumps:39 bumps B<40:644.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 146 ARG 1HB :A 137 PHE 2HB : -0.949: 0
: 2503:A 15 ALA HA :A 141 THR HA : -0.591: 0
: 2503:A 133 TYR O :A 136 TYR 1HB : -0.562: 0
: 2503:A 146 ARG 1HB :A 137 PHE CB : -0.540: 0
: 2503:A 146 ARG HA :A 136 TYR 2HB : -0.533: 0
: 2503:A 141 THR 2HG2 :A 15 ALA 2HB : -0.483: 0
: 2503:A 24 GLU 1HG :A 21 SER 2HB : -0.437: 0
: 2503:A 24 GLU 1HB :A 20 LEU 2HB : -0.431: 0
: 2503:A 146 ARG 2HG :A 141 THR OG1 : -0.421: 0
: 2503:A 15 ALA O :A 20 LEU 1HD1 : -0.420: 0
: 2503:A 148 LEU 2HD1 :A 138 GLY 1HA : -0.877: 0
: 2503:A 134 ALA HA :A 148 LEU HA : -0.522: 0
: 2503:A 134 ALA 3HB :A 131 GLN HA : -0.474: 0
: 2503:A 134 ALA CA :A 148 LEU HA : -0.469: 0
: 2503:A 148 LEU CA :A 134 ALA HA : -0.462: 0
: 2503:A 64 LYS 2HD :A 148 LEU O : -0.453: 0
: 2503:A 138 GLY 1HA :A 148 LEU CD1 : -0.447: 0
: 2503:A 138 GLY CA :A 148 LEU 1HB : -0.414: 0
: 2503:A 138 GLY 1HA :A 148 LEU 1HB : -0.413: 0
: 2503:A 121 PRO 2HB :A 72 LYS 2HG : -0.741: 0
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.579: 0
: 2503:A 120 LEU 3HD2 :A 77 ARG HA : -0.570: 0
: 2503:A 120 LEU 2HD2 :A 81 PHE 1HB : -0.554: 0
: 2503:A 55 GLN 2HG :A 51 TYR O : -0.639: 0
: 2503:A 102 PRO 1HB :A 108 VAL 2HG2 : -0.636: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.533: 0
: 2503:A 107 GLU CB :A 104 SER 1HB : -0.472: 0
: 2503:A 102 PRO HA :A 107 GLU OE1 : -0.450: 0
: 2503:A 53 GLU 2HG :A 29 ILE 1HG2 : -0.575: 0
: 2503:A 33 TYR CE2 :A 29 ILE 2HG2 : -0.432: 0
: 2503:A 29 ILE 2HG1 :A 25 LYS O : -0.425: 0
: 2503:A 33 TYR HD2 :A 30 LYS HA : -0.412: 0
: 2503:A 41 ILE 1HG1 :A 33 TYR 2HB : -0.400: 0
: 2503:A 143 PRO 1HD :A 142 VAL 3HG1 : -0.566: 0
: 2503:A 142 VAL CG2 :A 28 VAL 3HG1 : -0.404: 0
: 2503:A 68 ARG 2HB :A 128 VAL 1HG1 : -0.545: 0
: 2503:A 97 ILE 1HD1 :A 124 VAL 3HG1 : -0.519: 0
: 2503:A 71 ALA 3HB :A 124 VAL 1HG1 : -0.486: 0
: 2503:A 124 VAL O :A 128 VAL 3HG2 : -0.482: 0
: 2503:A 66 PHE O :A 70 LEU HG : -0.528: 0
: 2503:A 83 PRO 1HD :A 82 GLU N : -0.497: 0
: 2503:A 110 LYS 1HB :A 106 GLU O : -0.486: 0
: 2503:A 114 ILE 2HG1 :A 110 LYS O : -0.430: 0
: 2503:A 145 LEU CD2 :A 99 GLY 2HA : -0.484: 0
: 2503:A 99 GLY 1HA :A 95 ARG O : -0.453: 0
: 2503:A 92 LEU 1HB :A 80 PHE CZ : -0.466: 0
: 2503:A 92 LEU HG :A 88 ARG O : -0.448: 0
: 2503:A 152 HIS 1HB :A 155 HIS O : -0.464: 0
: 2503:A 140 GLU H :A 140 GLU CD : -0.437: 0
: 2503:A 115 VAL HB :A 123 LEU 2HD2 : -0.434: 0
: 2503:A 90 LEU 2HD1 :A 123 LEU 1HD2 : -0.405: 0
: 2503:A 49 ILE 2HG1 :A 45 TYR 2HB : -0.429: 0
: 2503:A 85 ILE N :A 85 ILE 3HD1 : -0.426: 0
: 2503:A 85 ILE 3HD1 :A 85 ILE H : -0.421: 0
: 2503:A 61 ILE HB :A 65 GLU 1HB : -0.422: 0
: 2503:A 16 MET SD :A 56 VAL 2HG2 : -0.420: 0
: 2503:A 126 ALA HA :A 129 ASP OD2 : -0.416: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.411: 0
: 2503:A 57 ARG 1HH1 :A 57 ARG 2HD : -0.402: 0
#sum2 ::23.57 clashscore : 23.57 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278792 potential dots:17420.0 A^2:59 bumps:59 bumps B<40:584.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 64 LYS 1HE :A 129 ASP HA : -0.716: 0
: 2503:A 17 LYS 1HB :A 20 LEU 2HB : -0.699: 0
: 2503:A 20 LEU 2HD1 :A 17 LYS O : -0.616: 0
: 2503:A 20 LEU 3HD2 :A 24 GLU CB : -0.516: 0
: 2503:A 20 LEU C :A 20 LEU 2HD2 : -0.510: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.492: 0
: 2503:A 16 MET 2HG :A 20 LEU 1HD1 : -0.448: 0
: 2503:A 16 MET SD :A 56 VAL 2HG2 : -0.400: 0
: 2503:A 98 LEU 1HD1 :A 127 LEU 2HD2 : -0.693: 0
: 2503:A 94 PHE HD1 :A 98 LEU 2HD1 : -0.440: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.668: 0
: 2503:A 104 SER 2HB :A 106 GLU OE1 : -0.641: 0
: 2503:A 108 VAL 2HG2 :A 102 PRO 2HB : -0.580: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.535: 0
: 2503:A 108 VAL HB :A 105 ARG O : -0.435: 0
: 2503:A 104 SER OG :A 107 GLU 1HB : -0.402: 0
: 2503:A 45 TYR HE2 :A 41 ILE HA : -0.626: 0
: 2503:A 33 TYR CZ :A 49 ILE 3HG2 : -0.541: 0
: 2503:A 49 ILE 3HD1 :A 41 ILE 2HD1 : -0.464: 0
: 2503:A 41 ILE HA :A 45 TYR CE2 : -0.458: 0
: 2503:A 11 ARG NE :A 11 ARG HA : -0.622: 0
: 2503:A 11 ARG HA :A 11 ARG HE : -0.406: 0
: 2503:A 82 GLU 1HB :A 83 PRO 2HD : -0.617: 0
: 2503:A 82 GLU 1HB :A 83 PRO CD : -0.464: 0
: 2503:A 78 LYS HA :A 82 GLU 1HG : -0.420: 0
: 2503:A 120 LEU N :A 121 PRO 1HD : -0.609: 0
: 2503:A 120 LEU 3HD2 :A 77 ARG HA : -0.586: 0
: 2503:A 74 PRO HA :A 77 ARG 2HB : -0.427: 0
: 2503:A 149 GLU 2HB :A 152 HIS 2HB : -0.531: 0
: 2503:A 137 PHE H :A 137 PHE HD1 : -0.501: 0
: 2503:A 134 ALA HA :A 137 PHE HE1 : -0.493: 0
: 2503:A 137 PHE HD1 :A 133 TYR O : -0.444: 0
: 2503:A 134 ALA 3HB :A 131 GLN HA : -0.433: 0
: 2503:A 36 ILE 1HD1 :A 67 VAL 3HG1 : -0.487: 0
: 2503:A 72 LYS O :A 72 LYS 2HD : -0.486: 0
: 2503:A 72 LYS 1HB :A 68 ARG O : -0.467: 0
: 2503:A 68 ARG 1HH2 :A 65 GLU CD : -0.451: 0
: 2503:A 125 ASP OD1 :A 68 ARG 1HD : -0.411: 0
: 2503:A 115 VAL HB :A 123 LEU 2HD2 : -0.450: 0
: 2503:A 123 LEU CD1 :A 111 TYR 2HB : -0.438: 0
: 2503:A 115 VAL 2HG1 :A 112 PHE HA : -0.408: 0
: 2503:A 130 SER 1HB :A 126 ALA O : -0.438: 0
: 2503:A 25 LYS 2HE :A 25 LYS 1HB : -0.429: 0
: 2503:A 86 ASN HA :A 89 ALA 3HB : -0.428: 0
: 2503:A 15 ALA HA :A 141 THR HA : -0.423: 0
: 2503:A 71 ALA 3HB :A 124 VAL 1HG1 : -0.419: 0
: 2503:A 53 GLU 2HG :A 29 ILE 1HG2 : -0.411: 0
#sum2 ::18.78 clashscore : 18.78 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279117 potential dots:17440.0 A^2:47 bumps:47 bumps B<40:596 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 8 ALA 1HB :A 67 VAL 1HG2 : -0.905: 0
: 2503:A 143 PRO CD :A 8 ALA 3HB : -0.695: 0
: 2503:A 143 PRO 2HD :A 8 ALA 3HB : -0.675: 0
: 2503:A 36 ILE 1HG1 :A 32 ALA O : -0.643: 0
: 2503:A 8 ALA C :A 143 PRO 1HG : -0.596: 0
: 2503:A 20 LEU 2HD2 :A 24 GLU 1HG : -0.592: 0
: 2503:A 28 VAL 2HG2 :A 14 TYR 2HB : -0.592: 0
: 2503:A 20 LEU 1HD2 :A 17 LYS 1HE : -0.570: 0
: 2503:A 20 LEU 1HB :A 25 LYS 1HE : -0.565: 0
: 2503:A 11 ARG 2HB :A 142 VAL CG1 : -0.555: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.552: 0
: 2503:A 66 PHE O :A 70 LEU HG : -0.546: 0
: 2503:A 36 ILE 1HG2 :A 70 LEU 2HB : -0.517: 0
: 2503:A 36 ILE 1HD1 :A 67 VAL 2HG2 : -0.462: 0
: 2503:A 11 ARG HA :A 11 ARG 1HD : -0.453: 0
: 2503:A 143 PRO 1HB :A 10 LYS H : -0.452: 0
: 2503:A 35 GLN HA :A 35 GLN NE2 : -0.451: 0
: 2503:A 143 PRO 2HD :A 142 VAL HA : -0.451: 0
: 2503:A 14 TYR O :A 142 VAL 3HG2 : -0.444: 0
: 2503:A 95 ARG O :A 10 LYS 2HD : -0.429: 0
: 2503:A 35 GLN 1HG :A 11 ARG HA : -0.427: 0
: 2503:A 11 ARG 1HG :A 31 ALA 1HB : -0.418: 0
: 2503:A 142 VAL 1HG1 :A 11 ARG 2HB : -0.401: 0
: 2503:A 6 ASN HA :A 64 LYS 2HD : -0.814: 0
: 2503:A 6 ASN 2HB :A 64 LYS 1HB : -0.738: 0
: 2503:A 64 LYS 2HD :A 7 ALA H : -0.650: 0
: 2503:A 6 ASN 1HB :A 139 GLU 2HB : -0.610: 0
: 2503:A 7 ALA O :A 64 LYS HA : -0.586: 0
: 2503:A 6 ASN CB :A 139 GLU 2HB : -0.573: 0
: 2503:A 64 LYS 2HD :A 6 ASN CA : -0.521: 0
: 2503:A 6 ASN HA :A 64 LYS CD : -0.513: 0
: 2503:A 6 ASN 2HB :A 64 LYS CB : -0.459: 0
: 2503:A 64 LYS 2HD :A 7 ALA N : -0.455: 0
: 2503:A 64 LYS 1HD :A 128 VAL 2HG1 : -0.452: 0
: 2503:A 64 LYS O :A 68 ARG 1HB : -0.415: 0
: 2503:A 12 GLN HA :A 12 GLN 2HE2 : -0.760: 0
: 2503:A 12 GLN 2HE2 :A 12 GLN CA : -0.498: 0
: 2503:A 12 GLN HA :A 12 GLN NE2 : -0.404: 0
: 2503:A 37 PHE HE1 :A 76 TYR 1HB : -0.712: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.570: 0
: 2503:A 37 PHE O :A 38 GLU 2HB : -0.505: 0
: 2503:A 76 TYR 1HB :A 37 PHE CE1 : -0.486: 0
: 2503:A 140 GLU O :A 15 ALA HA : -0.648: 0
: 2503:A 55 GLN 1HG :A 51 TYR O : -0.633: 0
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.591: 0
: 2503:A 82 GLU 1HB :A 83 PRO 2HD : -0.591: 0
: 2503:A 120 LEU 2HD2 :A 81 PHE 1HB : -0.571: 0
: 2503:A 120 LEU 3HD2 :A 77 ARG HA : -0.566: 0
: 2503:A 83 PRO 1HD :A 80 PHE C : -0.482: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.577: 0
: 2503:A 149 GLU H :A 147 GLY C : -0.552: 0
: 2503:A 150 HIS H :A 149 GLU 2HG : -0.434: 0
: 2503:A 151 HIS H :A 149 GLU C : -0.428: 0
: 2503:A 94 PHE 2HB :A 101 GLY 1HA : -0.527: 0
: 2503:A 148 LEU 3HD1 :A 148 LEU O : -0.525: 0
: 2503:A 127 LEU 2HD1 :A 97 ILE 2HD1 : -0.511: 0
: 2503:A 9 ALA 1HB :A 97 ILE HA : -0.506: 0
: 2503:A 98 LEU 1HD1 :A 127 LEU 2HD2 : -0.496: 0
: 2503:A 9 ALA CB :A 97 ILE HA : -0.432: 0
: 2503:A 16 MET SD :A 56 VAL 2HG2 : -0.491: 0
: 2503:A 53 GLU 2HG :A 29 ILE 1HG2 : -0.466: 0
: 2503:A 146 ARG 2HB :A 144 TYR CE1 : -0.436: 0
: 2503:A 146 ARG 2HB :A 144 TYR CD1 : -0.417: 0
: 2503:A 75 LEU O :A 79 GLN 1HG : -0.435: 0
: 2503:A 109 GLN HA :A 112 PHE 2HB : -0.415: 0
: 2503:A 115 VAL 2HG1 :A 112 PHE HA : -0.413: 0
#sum2 ::26.37 clashscore : 26.37 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279132 potential dots:17450.0 A^2:66 bumps:66 bumps B<40:543.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 77 ARG 1HG :A 120 LEU 3HD2 : -0.804: 0
: 2503:A 120 LEU N :A 121 PRO 1HD : -0.606: 0
: 2503:A 120 LEU 2HD2 :A 81 PHE 1HB : -0.513: 0
: 2503:A 120 LEU N :A 121 PRO CD : -0.405: 0
: 2503:A 120 LEU 2HD2 :A 81 PHE CB : -0.400: 0
: 2503:A 41 ILE 1HG2 :A 75 LEU 1HD2 : -0.684: 0
: 2503:A 45 TYR HE1 :A 41 ILE HB : -0.626: 0
: 2503:A 39 ARG C :A 41 ILE H : -0.514: 0
: 2503:A 41 ILE HB :A 45 TYR CE1 : -0.472: 0
: 2503:A 37 PHE HA :A 76 TYR HE1 : -0.683: 0
: 2503:A 37 PHE HA :A 76 TYR CE1 : -0.575: 0
: 2503:A 70 LEU 3HD1 :A 37 PHE HE1 : -0.498: 0
: 2503:A 66 PHE O :A 70 LEU HG : -0.461: 0
: 2503:A 21 SER 2HB :A 24 GLU OE1 : -0.611: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.477: 0
: 2503:A 55 GLN 1HG :A 51 TYR O : -0.608: 0
: 2503:A 90 LEU 2HD1 :A 123 LEU 1HD2 : -0.598: 0
: 2503:A 115 VAL 2HG1 :A 112 PHE HA : -0.492: 0
: 2503:A 115 VAL HB :A 123 LEU 2HD2 : -0.466: 0
: 2503:A 123 LEU O :A 127 LEU HG : -0.456: 0
: 2503:A 100 ARG O :A 94 PHE 2HB : -0.595: 0
: 2503:A 111 TYR CD2 :A 94 PHE HZ : -0.424: 0
: 2503:A 139 GLU HA :A 64 LYS 1HB : -0.566: 0
: 2503:A 16 MET SD :A 56 VAL 2HG2 : -0.562: 0
: 2503:A 63 MET 1HB :A 16 MET 2HB : -0.414: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.555: 0
: 2503:A 78 LYS 2HE :A 82 GLU OE2 : -0.433: 0
: 2503:A 35 GLN NE2 :A 144 TYR 2HB : -0.524: 0
: 2503:A 80 PHE HZ :A 38 GLU 2HG : -0.515: 0
: 2503:A 92 LEU HG :A 88 ARG O : -0.515: 0
: 2503:A 38 GLU 2HG :A 80 PHE CZ : -0.425: 0
: 2503:A 88 ARG H :A 85 ILE 2HG1 : -0.404: 0
: 2503:A 102 PRO 1HB :A 108 VAL 2HG2 : -0.512: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.476: 0
: 2503:A 52 LEU HG :A 48 SER O : -0.486: 0
: 2503:A 141 THR HA :A 15 ALA CB : -0.456: 0
: 2503:A 140 GLU 2HG :A 141 THR N : -0.447: 0
: 2503:A 141 THR HB :A 137 PHE CZ : -0.405: 0
: 2503:A 137 PHE HE2 :A 141 THR O : -0.400: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.450: 0
: 2503:A 53 GLU 2HG :A 29 ILE 1HG2 : -0.443: 0
: 2503:A 33 TYR CE2 :A 29 ILE 2HG2 : -0.441: 0
: 2503:A 29 ILE 2HG1 :A 25 LYS O : -0.434: 0
: 2503:A 30 LYS HA :A 33 TYR HD2 : -0.422: 0
: 2503:A 130 SER OG :A 133 TYR 2HB : -0.431: 0
: 2503:A 46 SER 1HB :A 49 ILE 1HG1 : -0.424: 0
: 2503:A 91 GLU O :A 95 ARG 2HG : -0.414: 0
: 2503:A 69 ARG 2HD :A 69 ARG HA : -0.413: 0
: 2503:A 10 LYS 1HD :A 10 LYS HA : -0.410: 0
#sum2 ::19.58 clashscore : 19.58 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279211 potential dots:17450.0 A^2:49 bumps:49 bumps B<40:607.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 104 SER 2HB :A 107 GLU CB : -0.680: 0
: 2503:A 104 SER 2HB :A 107 GLU 2HB : -0.678: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.569: 0
: 2503:A 102 PRO CB :A 108 VAL 2HG2 : -0.458: 0
: 2503:A 96 HIS CE1 :A 36 ILE HA : -0.659: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.614: 0
: 2503:A 96 HIS HE1 :A 36 ILE HA : -0.608: 0
: 2503:A 80 PHE HE1 :A 92 LEU 2HD2 : -0.551: 0
: 2503:A 96 HIS 1HB :A 92 LEU O : -0.428: 0
: 2503:A 96 HIS CE1 :A 36 ILE 3HD1 : -0.424: 0
: 2503:A 93 ALA 2HB :A 80 PHE HZ : -0.421: 0
: 2503:A 80 PHE O :A 83 PRO 1HD : -0.418: 0
: 2503:A 36 ILE 3HD1 :A 36 ILE HA : -0.412: 0
: 2503:A 67 VAL 1HG2 :A 143 PRO 1HD : -0.616: 0
: 2503:A 67 VAL 1HG2 :A 143 PRO CD : -0.429: 0
: 2503:A 72 LYS 1HE :A 69 ARG 2HD : -0.614: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.587: 0
: 2503:A 64 LYS 2HG :A 128 VAL 3HG1 : -0.528: 0
: 2503:A 69 ARG 1HG :A 65 GLU O : -0.519: 0
: 2503:A 134 ALA 3HB :A 131 GLN HA : -0.483: 0
: 2503:A 134 ALA HA :A 64 LYS NZ : -0.448: 0
: 2503:A 65 GLU CD :A 69 ARG HE : -0.435: 0
: 2503:A 68 ARG O :A 72 LYS 1HG : -0.431: 0
: 2503:A 69 ARG HA :A 69 ARG 2HD : -0.428: 0
: 2503:A 68 ARG 1HH2 :A 65 GLU CD : -0.412: 0
: 2503:A 29 ILE 3HD1 :A 53 GLU 2HG : -0.608: 0
: 2503:A 56 VAL 2HG1 :A 53 GLU HA : -0.483: 0
: 2503:A 29 ILE 2HG1 :A 25 LYS O : -0.437: 0
: 2503:A 21 SER 2HB :A 24 GLU 2HG : -0.602: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.541: 0
: 2503:A 144 TYR CB :A 35 GLN 1HG : -0.538: 0
: 2503:A 144 TYR 1HB :A 35 GLN 1HG : -0.522: 0
: 2503:A 142 VAL O :A 144 TYR HD1 : -0.496: 0
: 2503:A 14 TYR HD2 :A 144 TYR CZ : -0.438: 0
: 2503:A 144 TYR HA :A 35 GLN 1HG : -0.431: 0
: 2503:A 14 TYR HD1 :A 28 VAL 2HG2 : -0.421: 0
: 2503:A 144 TYR OH :A 13 LYS HA : -0.420: 0
: 2503:A 35 GLN 1HG :A 144 TYR CA : -0.400: 0
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.598: 0
: 2503:A 77 ARG 1HG :A 120 LEU 3HD2 : -0.459: 0
: 2503:A 6 ASN HA :A 3 SER 1HB : -0.582: 0
: 2503:A 62 SER 1HB :A 139 GLU 2HB : -0.549: 0
: 2503:A 115 VAL HB :A 123 LEU 2HD2 : -0.543: 0
: 2503:A 74 PRO O :A 78 LYS 1HG : -0.522: 0
: 2503:A 127 LEU 2HD1 :A 97 ILE 2HD1 : -0.513: 0
: 2503:A 98 LEU 1HD1 :A 127 LEU 2HD2 : -0.480: 0
: 2503:A 114 ILE 2HG1 :A 110 LYS O : -0.503: 0
: 2503:A 111 TYR 2HB :A 90 LEU 1HD1 : -0.493: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.458: 0
: 2503:A 90 LEU O :A 94 PHE 1HB : -0.436: 0
: 2503:A 94 PHE HD1 :A 100 ARG O : -0.427: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.473: 0
: 2503:A 71 ALA 3HB :A 124 VAL 1HG1 : -0.470: 0
: 2503:A 137 PHE 1HB :A 133 TYR O : -0.464: 0
: 2503:A 42 THR HB :A 45 TYR CE1 : -0.459: 0
: 2503:A 49 ILE HB :A 46 SER HA : -0.453: 0
: 2503:A 88 ARG 1HD :A 88 ARG HA : -0.436: 0
: 2503:A 30 LYS HA :A 33 TYR HD2 : -0.435: 0
: 2503:A 11 ARG 2HD :A 11 ARG H : -0.416: 0
: 2503:A 125 ASP O :A 129 ASP 2HB : -0.402: 0
#sum2 ::23.97 clashscore : 23.97 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279036 potential dots:17440.0 A^2:60 bumps:60 bumps B<40:600.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 139 GLU 1HB :A 64 LYS 1HB : -0.754: 0
: 2503:A 139 GLU 1HB :A 64 LYS CB : -0.554: 0
: 2503:A 64 LYS 1HB :A 139 GLU CB : -0.516: 0
: 2503:A 64 LYS 2HE :A 129 ASP HA : -0.444: 0
: 2503:A 15 ALA 2HB :A 13 LYS 1HE : -0.652: 0
: 2503:A 13 LYS 2HG :A 141 THR 3HG2 : -0.529: 0
: 2503:A 13 LYS 2HE :A 141 THR OG1 : -0.428: 0
: 2503:A 13 LYS 2HD :A 13 LYS H : -0.425: 0
: 2503:A 84 PHE HD1 :A 80 PHE HA : -0.638: 0
: 2503:A 80 PHE HA :A 84 PHE CD1 : -0.434: 0
: 2503:A 143 PRO 1HG :A 36 ILE 1HD1 : -0.621: 0
: 2503:A 53 GLU 2HG :A 29 ILE 1HG2 : -0.582: 0
: 2503:A 29 ILE 2HG1 :A 25 LYS O : -0.418: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.578: 0
: 2503:A 144 TYR HA :A 35 GLN OE1 : -0.572: 0
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.547: 0
: 2503:A 120 LEU 3HD2 :A 77 ARG HA : -0.496: 0
: 2503:A 16 MET SD :A 56 VAL 2HG2 : -0.541: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.529: 0
: 2503:A 138 GLY 1HA :A 134 ALA O : -0.522: 0
: 2503:A 134 ALA 3HB :A 131 GLN HA : -0.477: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.515: 0
: 2503:A 14 TYR 2HB :A 28 VAL 3HG1 : -0.465: 0
: 2503:A 52 LEU 2HD2 :A 69 ARG 2HD : -0.496: 0
: 2503:A 127 LEU 2HD1 :A 97 ILE 2HD1 : -0.473: 0
: 2503:A 71 ALA 3HB :A 124 VAL 1HG1 : -0.457: 0
: 2503:A 105 ARG HA :A 108 VAL CG2 : -0.449: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.418: 0
: 2503:A 61 ILE HB :A 65 GLU 2HB : -0.438: 0
: 2503:A 90 LEU 2HD1 :A 123 LEU 1HD2 : -0.437: 0
: 2503:A 115 VAL HB :A 123 LEU 2HD2 : -0.425: 0
: 2503:A 55 GLN 2HG :A 51 TYR O : -0.433: 0
: 2503:A 94 PHE HD1 :A 98 LEU 2HD1 : -0.430: 0
: 2503:A 148 LEU 2HD2 :A 148 LEU HA : -0.430: 0
: 2503:A 72 LYS 2HE :A 72 LYS 2HB : -0.417: 0
: 2503:A 88 ARG H :A 85 ILE 3HG2 : -0.412: 0
: 2503:A 86 ASN C :A 86 ASN 2HD2 : -0.404: 0
: 2503:A 145 LEU O :A 146 ARG 1HB : -0.401: 0
#sum2 ::15.18 clashscore : 15.18 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279068 potential dots:17440.0 A^2:38 bumps:38 bumps B<40:609 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 64 LYS 1HE :A 134 ALA HA : -0.860: 0
: 2503:A 139 GLU HA :A 64 LYS 2HD : -0.622: 0
: 2503:A 68 ARG 2HD :A 128 VAL HB : -0.579: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.578: 0
: 2503:A 64 LYS 2HG :A 128 VAL 3HG1 : -0.553: 0
: 2503:A 124 VAL HA :A 97 ILE CD1 : -0.482: 0
: 2503:A 128 VAL 1HG2 :A 68 ARG 1HB : -0.447: 0
: 2503:A 128 VAL CG1 :A 64 LYS 2HG : -0.426: 0
: 2503:A 124 VAL O :A 128 VAL 3HG2 : -0.417: 0
: 2503:A 127 LEU 2HD1 :A 97 ILE 2HD1 : -0.411: 0
: 2503:A 16 MET 1HB :A 63 MET 1HB : -0.834: 0
: 2503:A 63 MET SD :A 142 VAL 2HG2 : -0.460: 0
: 2503:A 63 MET O :A 67 VAL 3HG2 : -0.415: 0
: 2503:A 49 ILE HB :A 46 SER HA : -0.656: 0
: 2503:A 49 ILE 2HD1 :A 45 TYR C : -0.402: 0
: 2503:A 133 TYR HA :A 137 PHE HD2 : -0.630: 0
: 2503:A 137 PHE 1HB :A 133 TYR O : -0.516: 0
: 2503:A 98 LEU 1HD2 :A 133 TYR 2HB : -0.497: 0
: 2503:A 72 LYS 2HG :A 121 PRO HA : -0.626: 0
: 2503:A 50 SER HA :A 53 GLU 2HB : -0.580: 0
: 2503:A 29 ILE 2HG1 :A 25 LYS O : -0.571: 0
: 2503:A 29 ILE 3HD1 :A 53 GLU 1HG : -0.563: 0
: 2503:A 29 ILE 1HD1 :A 57 ARG 1HB : -0.496: 0
: 2503:A 14 TYR 2HB :A 28 VAL 3HG1 : -0.578: 0
: 2503:A 21 SER 2HB :A 24 GLU 2HG : -0.534: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.481: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.566: 0
: 2503:A 82 GLU 2HB :A 83 PRO CD : -0.406: 0
: 2503:A 88 ARG 1HB :A 84 PHE 2HB : -0.550: 0
: 2503:A 84 PHE 2HB :A 88 ARG CB : -0.416: 0
: 2503:A 76 TYR O :A 80 PHE 1HB : -0.543: 0
: 2503:A 80 PHE HD1 :A 92 LEU 3HD1 : -0.424: 0
: 2503:A 76 TYR CD2 :A 120 LEU 3HD2 : -0.408: 0
: 2503:A 66 PHE O :A 70 LEU HG : -0.519: 0
: 2503:A 115 VAL O :A 119 GLY 1HA : -0.515: 0
: 2503:A 115 VAL 2HG1 :A 112 PHE HA : -0.428: 0
: 2503:A 115 VAL HB :A 123 LEU 2HD2 : -0.424: 0
: 2503:A 132 GLU H :A 132 GLU CD : -0.504: 0
: 2503:A 55 GLN 1HG :A 51 TYR O : -0.499: 0
: 2503:A 34 ARG 2HG :A 30 LYS O : -0.490: 0
: 2503:A 30 LYS HA :A 33 TYR HD2 : -0.473: 0
: 2503:A 149 GLU OE1 :A 146 ARG 1HG : -0.489: 0
: 2503:A 146 ARG HA :A 149 GLU 1HG : -0.474: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.480: 0
: 2503:A 111 TYR CD2 :A 94 PHE HZ : -0.425: 0
: 2503:A 104 SER 2HB :A 107 GLU OE1 : -0.411: 0
: 2503:A 111 TYR HD2 :A 107 GLU O : -0.410: 0
: 2503:A 9 ALA C :A 10 LYS 1HG : -0.479: 0
: 2503:A 73 SER 1HB :A 74 PRO 1HD : -0.462: 0
: 2503:A 95 ARG 2HB :A 145 LEU 1HD2 : -0.456: 0
: 2503:A 145 LEU N :A 145 LEU 2HD1 : -0.434: 0
: 2503:A 36 ILE 1HG1 :A 32 ALA O : -0.435: 0
: 2503:A 105 ARG 1HH1 :A 105 ARG 1HD : -0.421: 0
: 2503:A 106 GLU N :A 105 ARG 2HG : -0.411: 0
#sum2 ::21.57 clashscore : 21.57 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279315 potential dots:17460.0 A^2:54 bumps:54 bumps B<40:551 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 99 GLY 1HA :A 145 LEU HG : -0.779: 0
: 2503:A 99 GLY CA :A 145 LEU HG : -0.605: 0
: 2503:A 145 LEU N :A 145 LEU 2HD1 : -0.418: 0
: 2503:A 125 ASP 1HB :A 72 LYS 1HD : -0.715: 0
: 2503:A 125 ASP OD1 :A 68 ARG 2HD : -0.511: 0
: 2503:A 64 LYS 1HE :A 68 ARG NH2 : -0.497: 0
: 2503:A 139 GLU HA :A 64 LYS 1HB : -0.458: 0
: 2503:A 64 LYS 2HE :A 128 VAL O : -0.430: 0
: 2503:A 53 GLU 1HG :A 29 ILE 1HG2 : -0.615: 0
: 2503:A 142 VAL O :A 144 TYR HD1 : -0.579: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.572: 0
: 2503:A 63 MET SD :A 142 VAL 2HG2 : -0.562: 0
: 2503:A 28 VAL 2HG2 :A 14 TYR 2HB : -0.552: 0
: 2503:A 36 ILE 1HD1 :A 67 VAL 2HG2 : -0.552: 0
: 2503:A 35 GLN 1HE2 :A 144 TYR 2HB : -0.481: 0
: 2503:A 14 TYR O :A 142 VAL 3HG2 : -0.425: 0
: 2503:A 63 MET O :A 67 VAL 3HG2 : -0.407: 0
: 2503:A 15 ALA 3HB :A 17 LYS 2HE : -0.565: 0
: 2503:A 140 GLU OE2 :A 17 LYS 1HE : -0.534: 0
: 2503:A 18 PRO 2HD :A 17 LYS HA : -0.430: 0
: 2503:A 140 GLU H :A 140 GLU 1HG : -0.414: 0
: 2503:A 120 LEU 3HD2 :A 77 ARG HA : -0.564: 0
: 2503:A 39 ARG O :A 34 ARG 1HD : -0.564: 0
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.563: 0
: 2503:A 120 LEU 2HD2 :A 81 PHE 1HB : -0.536: 0
: 2503:A 39 ARG O :A 40 ASP 1HB : -0.507: 0
: 2503:A 75 LEU O :A 79 GLN 1HG : -0.546: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.541: 0
: 2503:A 82 GLU 2HB :A 83 PRO CD : -0.448: 0
: 2503:A 52 LEU HG :A 48 SER O : -0.532: 0
: 2503:A 52 LEU 2HD2 :A 69 ARG 1HD : -0.527: 0
: 2503:A 134 ALA 3HB :A 131 GLN HA : -0.520: 0
: 2503:A 45 TYR HD1 :A 42 THR HG1 : -0.511: 0
: 2503:A 42 THR HB :A 45 TYR 1HB : -0.415: 0
: 2503:A 71 ALA 1HB :A 124 VAL 1HG1 : -0.507: 0
: 2503:A 4 TYR HD2 :A 6 ASN 2HD2 : -0.502: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.494: 0
: 2503:A 94 PHE 2HB :A 101 GLY 1HA : -0.483: 0
: 2503:A 90 LEU O :A 94 PHE HD1 : -0.455: 0
: 2503:A 111 TYR CD1 :A 94 PHE HZ : -0.436: 0
: 2503:A 94 PHE 2HB :A 101 GLY CA : -0.409: 0
: 2503:A 80 PHE HA :A 84 PHE HD2 : -0.492: 0
: 2503:A 10 LYS H :A 8 ALA C : -0.476: 0
: 2503:A 108 VAL 2HG2 :A 102 PRO 2HB : -0.473: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.471: 0
: 2503:A 33 TYR HD1 :A 37 PHE HE2 : -0.444: 0
: 2503:A 30 LYS HA :A 33 TYR HD2 : -0.406: 0
: 2503:A 143 PRO 2HB :A 133 TYR CE1 : -0.410: 0
#sum2 ::19.18 clashscore : 19.18 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279070 potential dots:17440.0 A^2:48 bumps:48 bumps B<40:564.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 17 LYS 1HB :A 20 LEU 2HB : -0.764: 0
: 2503:A 20 LEU 2HD1 :A 17 LYS O : -0.585: 0
: 2503:A 20 LEU 3HD2 :A 24 GLU 1HB : -0.558: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.494: 0
: 2503:A 20 LEU 3HD1 :A 20 LEU O : -0.481: 0
: 2503:A 25 LYS 1HE :A 20 LEU 1HD1 : -0.480: 0
: 2503:A 20 LEU CD2 :A 24 GLU 1HB : -0.462: 0
: 2503:A 29 ILE 2HG1 :A 25 LYS O : -0.449: 0
: 2503:A 20 LEU 2HD2 :A 21 SER O : -0.445: 0
: 2503:A 25 LYS 2HD :A 57 ARG HA : -0.422: 0
: 2503:A 20 LEU HG :A 17 LYS H : -0.410: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.747: 0
: 2503:A 69 ARG 1HG :A 65 GLU O : -0.744: 0
: 2503:A 69 ARG 1HH1 :A 69 ARG 1HD : -0.410: 0
: 2503:A 82 GLU 1HG :A 78 LYS 2HG : -0.611: 0
: 2503:A 82 GLU 1HB :A 83 PRO 2HD : -0.582: 0
: 2503:A 82 GLU 2HG :A 78 LYS 2HE : -0.484: 0
: 2503:A 78 LYS 2HG :A 82 GLU CG : -0.471: 0
: 2503:A 75 LEU O :A 79 GLN 1HG : -0.589: 0
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.579: 0
: 2503:A 115 VAL HB :A 123 LEU 2HD2 : -0.526: 0
: 2503:A 127 LEU 2HB :A 98 LEU 1HD1 : -0.520: 0
: 2503:A 98 LEU HA :A 133 TYR CE1 : -0.497: 0
: 2503:A 120 LEU HA :A 115 VAL 3HG2 : -0.457: 0
: 2503:A 90 LEU 2HD1 :A 123 LEU 1HD2 : -0.421: 0
: 2503:A 123 LEU O :A 127 LEU HG : -0.406: 0
: 2503:A 98 LEU 2HD1 :A 97 ILE HB : -0.403: 0
: 2503:A 127 LEU 2HD2 :A 98 LEU 1HD1 : -0.400: 0
: 2503:A 71 ALA HA :A 76 TYR CD2 : -0.564: 0
: 2503:A 124 VAL 1HG1 :A 71 ALA CB : -0.491: 0
: 2503:A 132 GLU H :A 132 GLU CD : -0.551: 0
: 2503:A 136 TYR HD2 :A 132 GLU O : -0.544: 0
: 2503:A 80 PHE HA :A 84 PHE HD2 : -0.522: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.507: 0
: 2503:A 108 VAL 2HG2 :A 102 PRO 2HB : -0.494: 0
: 2503:A 66 PHE O :A 70 LEU HG : -0.484: 0
: 2503:A 70 LEU 1HD1 :A 66 PHE CE2 : -0.411: 0
: 2503:A 72 LYS O :A 72 LYS 2HD : -0.475: 0
: 2503:A 107 GLU OE1 :A 110 LYS 2HD : -0.471: 0
: 2503:A 39 ARG 2HD :A 40 ASP N : -0.467: 0
: 2503:A 46 SER 1HB :A 49 ILE 1HG1 : -0.453: 0
: 2503:A 52 LEU HG :A 48 SER O : -0.440: 0
: 2503:A 145 LEU 1HD2 :A 99 GLY CA : -0.424: 0
: 2503:A 145 LEU 1HD2 :A 99 GLY 1HA : -0.407: 0
: 2503:A 55 GLN 2HG :A 51 TYR O : -0.415: 0
: 2503:A 148 LEU N :A 148 LEU 3HD2 : -0.410: 0
#sum2 ::18.38 clashscore : 18.38 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279275 potential dots:17450.0 A^2:46 bumps:46 bumps B<40:566.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 17 LYS 2HG :A 20 LEU 2HB : -0.713: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.577: 0
: 2503:A 28 VAL 2HG2 :A 14 TYR 2HB : -0.552: 0
: 2503:A 20 LEU 3HD2 :A 24 GLU 2HB : -0.542: 0
: 2503:A 20 LEU CD1 :A 20 LEU H : -0.462: 0
: 2503:A 18 PRO 2HD :A 17 LYS HA : -0.420: 0
: 2503:A 17 LYS H :A 15 ALA C : -0.412: 0
: 2503:A 100 ARG 1HB :A 147 GLY 2HA : -0.687: 0
: 2503:A 90 LEU 2HD1 :A 123 LEU 1HD2 : -0.575: 0
: 2503:A 120 LEU N :A 121 PRO 1HD : -0.571: 0
: 2503:A 120 LEU HA :A 115 VAL 3HG2 : -0.559: 0
: 2503:A 125 ASP 1HB :A 121 PRO O : -0.558: 0
: 2503:A 120 LEU 3HD2 :A 77 ARG HA : -0.547: 0
: 2503:A 115 VAL HB :A 123 LEU 2HD2 : -0.546: 0
: 2503:A 94 PHE CB :A 101 GLY 1HA : -0.511: 0
: 2503:A 100 ARG O :A 94 PHE 2HB : -0.491: 0
: 2503:A 94 PHE 2HB :A 101 GLY 1HA : -0.425: 0
: 2503:A 100 ARG NE :A 100 ARG HA : -0.424: 0
: 2503:A 90 LEU O :A 94 PHE HD1 : -0.416: 0
: 2503:A 74 PRO HA :A 77 ARG 2HD : -0.408: 0
: 2503:A 64 LYS 2HE :A 128 VAL O : -0.597: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.400: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.586: 0
: 2503:A 137 PHE HD1 :A 133 TYR HA : -0.556: 0
: 2503:A 137 PHE CD2 :A 146 ARG 2HD : -0.547: 0
: 2503:A 133 TYR HA :A 137 PHE CD1 : -0.482: 0
: 2503:A 143 PRO O :A 35 GLN 1HG : -0.473: 0
: 2503:A 143 PRO 2HG :A 133 TYR OH : -0.437: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.530: 0
: 2503:A 102 PRO 1HB :A 108 VAL 2HG2 : -0.500: 0
: 2503:A 97 ILE 1HD1 :A 124 VAL 3HG1 : -0.526: 0
: 2503:A 124 VAL 1HG1 :A 71 ALA CB : -0.431: 0
: 2503:A 124 VAL 1HG1 :A 71 ALA 3HB : -0.416: 0
: 2503:A 70 LEU 2HD2 :A 37 PHE HE2 : -0.523: 0
: 2503:A 66 PHE O :A 70 LEU HG : -0.520: 0
: 2503:A 53 GLU 2HG :A 29 ILE 1HG2 : -0.522: 0
: 2503:A 56 VAL 2HG1 :A 53 GLU HA : -0.408: 0
: 2503:A 80 PHE 1HB :A 79 GLN O : -0.476: 0
: 2503:A 52 LEU HG :A 48 SER O : -0.472: 0
: 2503:A 25 LYS 2HE :A 25 LYS 1HB : -0.454: 0
: 2503:A 25 LYS 2HD :A 57 ARG HA : -0.406: 0
: 2503:A 114 ILE 2HG1 :A 110 LYS O : -0.445: 0
: 2503:A 44 ALA 3HB :A 43 LYS O : -0.419: 0
: 2503:A 12 GLN 2HB :A 9 ALA 1HB : -0.418: 0
: 2503:A 139 GLU H :A 139 GLU CD : -0.413: 0
: 2503:A 47 GLN 2HG :A 47 GLN H : -0.408: 0
: 2503:A 5 PHE O :A 6 ASN 2HB : -0.400: 0
#sum2 ::18.78 clashscore : 18.78 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278871 potential dots:17430.0 A^2:47 bumps:47 bumps B<40:622.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 139 GLU 1HB :A 64 LYS 1HB : -0.785: 0
: 2503:A 64 LYS 1HE :A 129 ASP HA : -0.599: 0
: 2503:A 64 LYS 1HD :A 139 GLU CB : -0.422: 0
: 2503:A 92 LEU 2HB :A 80 PHE HE1 : -0.672: 0
: 2503:A 92 LEU O :A 92 LEU 3HD2 : -0.418: 0
: 2503:A 61 ILE HB :A 65 GLU 1HB : -0.671: 0
: 2503:A 61 ILE HB :A 65 GLU CB : -0.401: 0
: 2503:A 49 ILE 3HD1 :A 41 ILE 2HD1 : -0.668: 0
: 2503:A 55 GLN 1HG :A 51 TYR O : -0.658: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.624: 0
: 2503:A 82 GLU 2HB :A 78 LYS O : -0.467: 0
: 2503:A 78 LYS HA :A 78 LYS 2HD : -0.418: 0
: 2503:A 53 GLU 2HG :A 29 ILE 1HG2 : -0.594: 0
: 2503:A 33 TYR CE2 :A 29 ILE 2HG2 : -0.436: 0
: 2503:A 96 HIS NE2 :A 36 ILE HA : -0.572: 0
: 2503:A 36 ILE 1HD1 :A 67 VAL 2HG2 : -0.468: 0
: 2503:A 98 LEU 1HD1 :A 127 LEU 2HD2 : -0.571: 0
: 2503:A 127 LEU 2HD1 :A 97 ILE 2HD1 : -0.518: 0
: 2503:A 98 LEU HA :A 137 PHE CZ : -0.431: 0
: 2503:A 120 LEU N :A 121 PRO 1HD : -0.570: 0
: 2503:A 76 TYR HD2 :A 120 LEU 1HD2 : -0.503: 0
: 2503:A 154 HIS 1HB :A 153 HIS O : -0.565: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.561: 0
: 2503:A 102 PRO 2HG :A 91 GLU 1HG : -0.451: 0
: 2503:A 108 VAL 2HG2 :A 102 PRO 2HB : -0.434: 0
: 2503:A 14 TYR 2HB :A 28 VAL 3HG1 : -0.554: 0
: 2503:A 17 LYS 2HE :A 20 LEU 1HD2 : -0.529: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.518: 0
: 2503:A 24 GLU 1HB :A 20 LEU 2HB : -0.456: 0
: 2503:A 18 PRO 2HD :A 17 LYS HA : -0.411: 0
: 2503:A 95 ARG O :A 145 LEU 2HD2 : -0.538: 0
: 2503:A 15 ALA HA :A 141 THR HA : -0.538: 0
: 2503:A 68 ARG O :A 72 LYS 1HG : -0.516: 0
: 2503:A 133 TYR HA :A 136 TYR 2HB : -0.503: 0
: 2503:A 90 LEU O :A 94 PHE HD1 : -0.502: 0
: 2503:A 101 GLY H :A 94 PHE 2HB : -0.454: 0
: 2503:A 66 PHE O :A 70 LEU HG : -0.433: 0
: 2503:A 37 PHE HE2 :A 70 LEU 3HD1 : -0.431: 0
: 2503:A 71 ALA 3HB :A 124 VAL 1HG1 : -0.426: 0
: 2503:A 43 LYS 2HG :A 43 LYS O : -0.421: 0
#sum2 ::15.98 clashscore : 15.98 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:278860 potential dots:17430.0 A^2:40 bumps:40 bumps B<40:624.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 139 GLU 1HB :A 64 LYS 1HB : -0.732: 0
: 2503:A 139 GLU 1HB :A 64 LYS CB : -0.529: 0
: 2503:A 64 LYS O :A 68 ARG 2HG : -0.442: 0
: 2503:A 61 ILE HB :A 65 GLU 1HB : -0.723: 0
: 2503:A 61 ILE HB :A 65 GLU CB : -0.563: 0
: 2503:A 96 HIS HA :A 145 LEU 1HD2 : -0.721: 0
: 2503:A 137 PHE HD2 :A 141 THR HB : -0.697: 0
: 2503:A 141 THR HB :A 137 PHE CD2 : -0.512: 0
: 2503:A 137 PHE HD1 :A 136 TYR HD2 : -0.436: 0
: 2503:A 16 MET SD :A 56 VAL 2HG2 : -0.596: 0
: 2503:A 55 GLN 2HG :A 51 TYR O : -0.587: 0
: 2503:A 63 MET SD :A 142 VAL 2HG2 : -0.571: 0
: 2503:A 36 ILE 1HD1 :A 67 VAL 2HG2 : -0.550: 0
: 2503:A 63 MET O :A 67 VAL 3HG2 : -0.455: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.555: 0
: 2503:A 123 LEU CD1 :A 111 TYR 2HB : -0.501: 0
: 2503:A 111 TYR HD1 :A 107 GLU O : -0.458: 0
: 2503:A 114 ILE 2HG1 :A 110 LYS O : -0.428: 0
: 2503:A 104 SER 2HB :A 107 GLU 1HB : -0.423: 0
: 2503:A 92 LEU 2HD1 :A 89 ALA HA : -0.554: 0
: 2503:A 95 ARG HA :A 100 ARG O : -0.548: 0
: 2503:A 95 ARG 1HG :A 101 GLY 1HA : -0.416: 0
: 2503:A 100 ARG 1HG :A 101 GLY N : -0.413: 0
: 2503:A 120 LEU HA :A 115 VAL 3HG2 : -0.531: 0
: 2503:A 120 LEU N :A 121 PRO 1HD : -0.530: 0
: 2503:A 17 LYS 1HG :A 20 LEU HG : -0.530: 0
: 2503:A 53 GLU 2HG :A 29 ILE 1HG2 : -0.469: 0
: 2503:A 29 ILE 2HG1 :A 25 LYS O : -0.445: 0
: 2503:A 20 LEU O :A 25 LYS 2HE : -0.430: 0
: 2503:A 29 ILE 3HD1 :A 53 GLU 2HG : -0.408: 0
: 2503:A 50 SER HA :A 53 GLU 2HB : -0.400: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.522: 0
: 2503:A 71 ALA 3HB :A 124 VAL 1HG1 : -0.509: 0
: 2503:A 49 ILE 1HD1 :A 45 TYR 1HB : -0.509: 0
: 2503:A 45 TYR O :A 49 ILE 2HG1 : -0.475: 0
: 2503:A 124 VAL 1HG1 :A 71 ALA CB : -0.469: 0
: 2503:A 74 PRO O :A 78 LYS 1HG : -0.498: 0
: 2503:A 57 ARG 2HB :A 54 SER HA : -0.495: 0
: 2503:A 35 GLN 1HG :A 31 ALA O : -0.487: 0
: 2503:A 83 PRO 1HD :A 82 GLU N : -0.455: 0
: 2503:A 24 GLU 1HG :A 21 SER 1HB : -0.446: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.444: 0
: 2503:A 88 ARG NE :A 88 ARG HA : -0.433: 0
: 2503:A 11 ARG 1HH1 :A 11 ARG 2HD : -0.417: 0
: 2503:A 80 PHE 1HB :A 79 GLN O : -0.415: 0
: 2503:A 84 PHE 1HB :A 80 PHE O : -0.401: 0
: 2503:A 46 SER O :A 47 GLN 2HB : -0.412: 0
: 2503:A 33 TYR CD1 :A 41 ILE 1HD1 : -0.404: 0
#sum2 ::19.18 clashscore : 19.18 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279087 potential dots:17440.0 A^2:48 bumps:48 bumps B<40:612.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 64 LYS 1HE :A 134 ALA HA : -0.752: 0
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.597: 0
: 2503:A 64 LYS CE :A 134 ALA HA : -0.596: 0
: 2503:A 134 ALA 3HB :A 131 GLN HA : -0.577: 0
: 2503:A 72 LYS 1HG :A 121 PRO HA : -0.530: 0
: 2503:A 72 LYS 2HG :A 68 ARG O : -0.527: 0
: 2503:A 71 ALA 3HB :A 124 VAL 1HG1 : -0.504: 0
: 2503:A 62 SER 1HB :A 139 GLU O : -0.479: 0
: 2503:A 120 LEU 2HD2 :A 81 PHE 1HB : -0.475: 0
: 2503:A 128 VAL CG1 :A 64 LYS 2HG : -0.475: 0
: 2503:A 139 GLU HA :A 64 LYS 2HD : -0.462: 0
: 2503:A 120 LEU 3HD2 :A 77 ARG HA : -0.452: 0
: 2503:A 97 ILE 1HD1 :A 124 VAL 3HG1 : -0.446: 0
: 2503:A 68 ARG 2HD :A 128 VAL HB : -0.431: 0
: 2503:A 124 VAL O :A 128 VAL 3HG2 : -0.416: 0
: 2503:A 25 LYS 2HD :A 57 ARG HA : -0.707: 0
: 2503:A 53 GLU 2HG :A 29 ILE 1HG2 : -0.439: 0
: 2503:A 53 GLU 2HB :A 50 SER O : -0.425: 0
: 2503:A 25 LYS 2HE :A 25 LYS 1HB : -0.416: 0
: 2503:A 57 ARG 2HG :A 29 ILE CD1 : -0.411: 0
: 2503:A 61 ILE HB :A 65 GLU 1HB : -0.652: 0
: 2503:A 61 ILE HB :A 65 GLU CB : -0.442: 0
: 2503:A 136 TYR 1HB :A 132 GLU O : -0.587: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.578: 0
: 2503:A 36 ILE 1HD1 :A 67 VAL 2HG2 : -0.578: 0
: 2503:A 96 HIS NE2 :A 36 ILE HA : -0.418: 0
: 2503:A 92 LEU 2HD1 :A 89 ALA HA : -0.574: 0
: 2503:A 80 PHE HD2 :A 92 LEU 3HD1 : -0.402: 0
: 2503:A 13 LYS 2HG :A 12 GLN 1HG : -0.571: 0
: 2503:A 141 THR 1HG2 :A 13 LYS 1HD : -0.472: 0
: 2503:A 82 GLU 1HB :A 78 LYS HA : -0.568: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.562: 0
: 2503:A 78 LYS O :A 83 PRO 2HD : -0.478: 0
: 2503:A 33 TYR CB :A 39 ARG 1HG : -0.549: 0
: 2503:A 33 TYR 2HB :A 39 ARG 1HG : -0.506: 0
: 2503:A 39 ARG O :A 41 ILE 3HG2 : -0.457: 0
: 2503:A 33 TYR 2HB :A 39 ARG HA : -0.429: 0
: 2503:A 52 LEU HG :A 48 SER O : -0.533: 0
: 2503:A 88 ARG 2HG :A 85 ILE 2HG1 : -0.526: 0
: 2503:A 102 PRO 1HB :A 108 VAL 2HG2 : -0.513: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.476: 0
: 2503:A 90 LEU O :A 94 PHE HD1 : -0.495: 0
: 2503:A 100 ARG O :A 94 PHE 2HB : -0.423: 0
: 2503:A 140 GLU O :A 15 ALA HA : -0.493: 0
: 2503:A 43 LYS 2HD :A 43 LYS N : -0.488: 0
: 2503:A 123 LEU CD1 :A 111 TYR 2HB : -0.487: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.449: 0
: 2503:A 28 VAL HA :A 14 TYR CD1 : -0.433: 0
: 2503:A 14 TYR HD1 :A 28 VAL HA : -0.405: 0
: 2503:A 142 VAL 2HG2 :A 63 MET 2HG : -0.442: 0
: 2503:A 11 ARG 2HD :A 11 ARG H : -0.436: 0
#sum2 ::20.38 clashscore : 20.38 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279328 potential dots:17460.0 A^2:51 bumps:51 bumps B<40:528.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 47 GLN 2HG :A 48 SER H : -0.823: 0
: 2503:A 52 LEU HG :A 48 SER O : -0.440: 0
: 2503:A 47 GLN 1HB :A 47 GLN 2HE2 : -0.432: 0
: 2503:A 47 GLN 2HG :A 48 SER N : -0.406: 0
: 2503:A 49 ILE HB :A 46 SER HA : -0.787: 0
: 2503:A 49 ILE HB :A 46 SER CA : -0.639: 0
: 2503:A 49 ILE HB :A 46 SER CB : -0.442: 0
: 2503:A 80 PHE HA :A 84 PHE HD2 : -0.674: 0
: 2503:A 84 PHE CD2 :A 80 PHE HA : -0.507: 0
: 2503:A 64 LYS 2HE :A 129 ASP HA : -0.644: 0
: 2503:A 64 LYS CE :A 129 ASP HA : -0.539: 0
: 2503:A 64 LYS O :A 68 ARG 2HG : -0.474: 0
: 2503:A 40 ASP O :A 41 ILE 1HG1 : -0.641: 0
: 2503:A 45 TYR 1HB :A 41 ILE 2HD1 : -0.554: 0
: 2503:A 69 ARG 1HG :A 65 GLU O : -0.634: 0
: 2503:A 11 ARG NE :A 11 ARG HA : -0.633: 0
: 2503:A 11 ARG HA :A 11 ARG HE : -0.597: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.628: 0
: 2503:A 57 ARG 1HB :A 53 GLU O : -0.627: 0
: 2503:A 106 GLU CD :A 106 GLU H : -0.618: 0
: 2503:A 104 SER 2HB :A 107 GLU 1HB : -0.604: 0
: 2503:A 102 PRO 1HB :A 108 VAL 2HG2 : -0.562: 0
: 2503:A 104 SER O :A 107 GLU 2HB : -0.554: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.524: 0
: 2503:A 109 GLN 1HG :A 105 ARG O : -0.513: 0
: 2503:A 104 SER 2HB :A 107 GLU CB : -0.489: 0
: 2503:A 111 TYR HD1 :A 107 GLU O : -0.478: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.463: 0
: 2503:A 102 PRO CB :A 108 VAL 2HG2 : -0.452: 0
: 2503:A 108 VAL HB :A 105 ARG O : -0.439: 0
: 2503:A 114 ILE 2HG1 :A 110 LYS O : -0.429: 0
: 2503:A 102 PRO 1HD :A 91 GLU 2HG : -0.422: 0
: 2503:A 112 PHE 1HB :A 108 VAL O : -0.410: 0
: 2503:A 106 GLU OE2 :A 104 SER 1HB : -0.405: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.594: 0
: 2503:A 16 MET 1HG :A 56 VAL 2HG2 : -0.588: 0
: 2503:A 23 LEU 2HD2 :A 23 LEU C : -0.583: 0
: 2503:A 26 ASN 2HB :A 23 LEU HA : -0.437: 0
: 2503:A 23 LEU 3HD1 :A 21 SER 2HB : -0.412: 0
: 2503:A 21 SER 2HB :A 23 LEU CD1 : -0.402: 0
: 2503:A 124 VAL 1HG1 :A 71 ALA CB : -0.580: 0
: 2503:A 97 ILE 1HD1 :A 124 VAL 3HG1 : -0.548: 0
: 2503:A 128 VAL 2HG2 :A 97 ILE 3HG2 : -0.416: 0
: 2503:A 128 VAL 3HG2 :A 124 VAL O : -0.400: 0
: 2503:A 120 LEU 2HB :A 121 PRO 2HD : -0.562: 0
: 2503:A 126 ALA O :A 130 SER 2HB : -0.559: 0
: 2503:A 133 TYR HD2 :A 130 SER 1HB : -0.553: 0
: 2503:A 133 TYR CD2 :A 130 SER 1HB : -0.531: 0
: 2503:A 15 ALA HA :A 141 THR HA : -0.547: 0
: 2503:A 90 LEU 2HD1 :A 123 LEU 1HD2 : -0.508: 0
: 2503:A 115 VAL HB :A 123 LEU 2HD2 : -0.507: 0
: 2503:A 29 ILE 1HG1 :A 25 LYS O : -0.500: 0
: 2503:A 55 GLN 1HG :A 51 TYR O : -0.490: 0
: 2503:A 74 PRO HA :A 77 ARG 2HB : -0.487: 0
: 2503:A 12 GLN O :A 13 LYS 1HB : -0.480: 0
: 2503:A 92 LEU HG :A 88 ARG O : -0.472: 0
: 2503:A 98 LEU 1HD1 :A 127 LEU 2HD2 : -0.444: 0
: 2503:A 66 PHE CE2 :A 70 LEU 1HD1 : -0.441: 0
: 2503:A 66 PHE O :A 70 LEU HG : -0.432: 0
: 2503:A 43 LYS 1HG :A 43 LYS O : -0.437: 0
: 2503:A 35 GLN HA :A 35 GLN OE1 : -0.430: 0
: 2503:A 18 PRO 2HD :A 17 LYS HA : -0.416: 0
: 2503:A 63 MET O :A 67 VAL 3HG2 : -0.412: 0
#sum2 ::25.17 clashscore : 25.17 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279088 potential dots:17440.0 A^2:63 bumps:63 bumps B<40:560.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 42 THR 3HG2 :A 43 LYS 2HG : -0.784: 0
: 2503:A 65 GLU 2HB :A 69 ARG 1HH2 : -0.759: 0
: 2503:A 52 LEU HG :A 48 SER O : -0.560: 0
: 2503:A 61 ILE HB :A 65 GLU 1HB : -0.460: 0
: 2503:A 52 LEU 3HD1 :A 69 ARG 2HB : -0.437: 0
: 2503:A 69 ARG 1HG :A 52 LEU 1HD2 : -0.427: 0
: 2503:A 52 LEU CD2 :A 69 ARG 1HG : -0.420: 0
: 2503:A 13 LYS 1HD :A 13 LYS N : -0.640: 0
: 2503:A 54 SER HA :A 57 ARG CG : -0.619: 0
: 2503:A 29 ILE 2HG1 :A 25 LYS O : -0.607: 0
: 2503:A 25 LYS 1HD :A 57 ARG O : -0.571: 0
: 2503:A 54 SER HA :A 57 ARG 2HG : -0.563: 0
: 2503:A 54 SER O :A 57 ARG 2HG : -0.471: 0
: 2503:A 57 ARG 1HD :A 57 ARG C : -0.470: 0
: 2503:A 54 SER CA :A 57 ARG 2HG : -0.446: 0
: 2503:A 26 ASN HA :A 29 ILE 2HD1 : -0.439: 0
: 2503:A 29 ILE CD1 :A 56 VAL 3HG1 : -0.431: 0
: 2503:A 85 ILE 2HG1 :A 88 ARG H : -0.590: 0
: 2503:A 92 LEU HG :A 88 ARG O : -0.470: 0
: 2503:A 88 ARG 2HB :A 84 PHE 2HB : -0.432: 0
: 2503:A 66 PHE O :A 70 LEU HG : -0.588: 0
: 2503:A 70 LEU 2HD2 :A 37 PHE HE2 : -0.503: 0
: 2503:A 66 PHE CE2 :A 70 LEU 1HD1 : -0.497: 0
: 2503:A 82 GLU 2HB :A 83 PRO 2HD : -0.584: 0
: 2503:A 120 LEU N :A 121 PRO 1HD : -0.578: 0
: 2503:A 120 LEU 2HD2 :A 81 PHE 1HB : -0.536: 0
: 2503:A 71 ALA 3HB :A 124 VAL 1HG1 : -0.512: 0
: 2503:A 121 PRO 2HB :A 72 LYS 1HG : -0.435: 0
: 2503:A 124 VAL 3HG2 :A 120 LEU O : -0.402: 0
: 2503:A 128 VAL 3HG2 :A 124 VAL O : -0.401: 0
: 2503:A 74 PRO O :A 78 LYS 1HB : -0.577: 0
: 2503:A 108 VAL 3HG1 :A 90 LEU 3HD2 : -0.569: 0
: 2503:A 94 PHE CE2 :A 90 LEU HG : -0.504: 0
: 2503:A 102 PRO 2HG :A 94 PHE HD2 : -0.485: 0
: 2503:A 108 VAL CG2 :A 102 PRO 2HB : -0.485: 0
: 2503:A 108 VAL 2HG2 :A 102 PRO 2HB : -0.477: 0
: 2503:A 14 TYR 2HB :A 28 VAL 3HG1 : -0.559: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.432: 0
: 2503:A 28 VAL 2HG1 :A 63 MET CE : -0.401: 0
: 2503:A 45 TYR 2HB :A 49 ILE 2HD1 : -0.550: 0
: 2503:A 46 SER 2HB :A 45 TYR O : -0.424: 0
: 2503:A 15 ALA HA :A 141 THR HA : -0.541: 0
: 2503:A 99 GLY 1HA :A 95 ARG O : -0.512: 0
: 2503:A 75 LEU O :A 79 GLN 1HG : -0.487: 0
: 2503:A 153 HIS NE2 :A 155 HIS HA : -0.474: 0
: 2503:A 140 GLU H :A 140 GLU CD : -0.473: 0
: 2503:A 39 ARG O :A 40 ASP 1HB : -0.468: 0
: 2503:A 107 GLU O :A 111 TYR HD2 : -0.448: 0
: 2503:A 35 GLN HA :A 35 GLN OE1 : -0.439: 0
: 2503:A 20 LEU 2HD1 :A 16 MET HA : -0.431: 0
: 2503:A 68 ARG 2HH2 :A 129 ASP CG : -0.424: 0
: 2503:A 31 ALA O :A 34 ARG 2HB : -0.423: 0
: 2503:A 34 ARG O :A 38 GLU HA : -0.400: 0
#sum2 ::21.17 clashscore : 21.17 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279214 potential dots:17450.0 A^2:53 bumps:53 bumps B<40:560.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2503:A 72 LYS 2HE :A 125 ASP 2HB : -0.684: 0
: 2503:A 122 ALA HA :A 125 ASP OD2 : -0.457: 0
: 2503:A 39 ARG 1HG :A 40 ASP N : -0.620: 0
: 2503:A 45 TYR CE2 :A 41 ILE 2HG1 : -0.576: 0
: 2503:A 45 TYR CG :A 49 ILE 1HD1 : -0.568: 0
: 2503:A 41 ILE O :A 42 THR HB : -0.545: 0
: 2503:A 75 LEU 1HD2 :A 41 ILE HB : -0.517: 0
: 2503:A 45 TYR CD1 :A 49 ILE 1HD1 : -0.499: 0
: 2503:A 41 ILE 2HG1 :A 45 TYR HE2 : -0.456: 0
: 2503:A 40 ASP C :A 42 THR H : -0.414: 0
: 2503:A 49 ILE 1HD1 :A 45 TYR 1HB : -0.402: 0
: 2503:A 65 GLU 1HG :A 62 SER 2HB : -0.609: 0
: 2503:A 62 SER 1HB :A 139 GLU 2HB : -0.543: 0
: 2503:A 64 LYS 2HG :A 65 GLU OE1 : -0.501: 0
: 2503:A 64 LYS CD :A 139 GLU 1HG : -0.461: 0
: 2503:A 61 ILE HB :A 65 GLU 1HB : -0.422: 0
: 2503:A 64 LYS 2HD :A 139 GLU 1HG : -0.412: 0
: 2503:A 120 LEU N :A 121 PRO 1HD : -0.602: 0
: 2503:A 120 LEU HA :A 115 VAL 3HG2 : -0.465: 0
: 2503:A 119 GLY O :A 115 VAL HA : -0.429: 0
: 2503:A 120 LEU N :A 121 PRO CD : -0.412: 0
: 2503:A 71 ALA 3HB :A 124 VAL 1HG1 : -0.583: 0
: 2503:A 124 VAL 1HG2 :A 71 ALA 1HB : -0.429: 0
: 2503:A 83 PRO 1HD :A 82 GLU H : -0.582: 0
: 2503:A 83 PRO 1HD :A 82 GLU N : -0.420: 0
: 2503:A 94 PHE 2HB :A 101 GLY 1HA : -0.527: 0
: 2503:A 123 LEU CD1 :A 111 TYR 2HB : -0.524: 0
: 2503:A 111 TYR CD1 :A 94 PHE HZ : -0.457: 0
: 2503:A 94 PHE 2HB :A 101 GLY CA : -0.443: 0
: 2503:A 114 ILE 2HD1 :A 111 TYR HA : -0.441: 0
: 2503:A 131 GLN 2HE2 :A 131 GLN N : -0.523: 0
: 2503:A 131 GLN 2HE2 :A 131 GLN CA : -0.487: 0
: 2503:A 85 ILE 2HG1 :A 88 ARG H : -0.513: 0
: 2503:A 80 PHE O :A 84 PHE 1HB : -0.490: 0
: 2503:A 57 ARG 2HD :A 57 ARG C : -0.489: 0
: 2503:A 108 VAL 3HG2 :A 104 SER O : -0.487: 0
: 2503:A 98 LEU O :A 98 LEU 3HD1 : -0.485: 0
: 2503:A 68 ARG 1HB :A 128 VAL 1HG1 : -0.485: 0
: 2503:A 98 LEU HA :A 137 PHE HZ : -0.483: 0
: 2503:A 98 LEU 2HD2 :A 98 LEU HA : -0.409: 0
: 2503:A 144 TYR HD2 :A 142 VAL O : -0.484: 0
: 2503:A 133 TYR HA :A 136 TYR 2HB : -0.484: 0
: 2503:A 133 TYR HD2 :A 127 LEU O : -0.439: 0
: 2503:A 63 MET O :A 67 VAL 3HG2 : -0.459: 0
: 2503:A 86 ASN HA :A 89 ALA 3HB : -0.458: 0
: 2503:A 106 GLU CD :A 106 GLU H : -0.447: 0
: 2503:A 69 ARG NE :A 69 ARG HA : -0.442: 0
: 2503:A 29 ILE 2HG1 :A 25 LYS O : -0.436: 0
: 2503:A 24 GLU O :A 28 VAL 3HG2 : -0.428: 0
: 2503:A 10 LYS 1HG :A 10 LYS H : -0.408: 0
: 2503:A 10 LYS C :A 12 GLN H : -0.403: 0
#sum2 ::20.38 clashscore : 20.38 clashscore B<40
#summary::2503 atoms:2503 atoms B<40:279046 potential dots:17440.0 A^2:51 bumps:51 bumps B<40:633.2 score
Output from PDB validation software
Summary from PDB validation
May. 10, 20:39:11 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 HA TYR 133 - A HD2 PHE 137 2 Dist = 1.25
A 2HB ALA 8 - A 2HG2 VAL 67 7 Dist = 1.40
A HA GLU 139 - A H HIS 151 1 Dist = 1.40
A 2HB GLU 65 - A 1HH2 ARG 69 19 Dist = 1.42
A 2HB PHE 137 - A 1HB ARG 146 5 Dist = 1.43
A HG LEU 148 - A H HIS 150 3 Dist = 1.43
A 1HA GLY 138 - A 3HD1 LEU 148 5 Dist = 1.47
A HA ILE 36 - A HE2 HIS 96 15 Dist = 1.47
A 1HE LYS 64 - A HA ALA 134 11 Dist = 1.48
A HE1 PHE 37 - A 1HB TYR 76 7 Dist = 1.48
A HD2 PHE 137 - A HB THR 141 16 Dist = 1.48
A 3HB ALA 134 - A H HIS 152 1 Dist = 1.49
A 2HB GLU 82 - A HD2 PHE 84 4 Dist = 1.49
A H ALA 7 - A 2HD LYS 64 7 Dist = 1.50
A HE1 PHE 80 - A 2HB LEU 92 15 Dist = 1.51
A HA PHE 37 - A HE1 TYR 76 8 Dist = 1.51
A 2HG GLU 65 - A HE ARG 68 1 Dist = 1.52
A HD2 TYR 4 - A 2HD2 ASN 6 12 Dist = 1.52
A HA PHE 80 - A HD2 PHE 84 18 Dist = 1.53
A 1HG ARG 77 - A 2HD2 LEU 120 8 Dist = 1.54
A 1HB MET 16 - A 1HB MET 63 11 Dist = 1.54
A HA ASN 6 - A 2HD LYS 64 7 Dist = 1.55
A 1HG GLN 35 - A HA TYR 144 1 Dist = 1.55
A HA ILE 41 - A HE2 TYR 45 6 Dist = 1.56
A HA PHE 80 - A HD1 PHE 84 10 Dist = 1.56
A HA SER 46 - A HB ILE 49 18 Dist = 1.56
A HA GLU 65 - A 1HG ARG 68 1 Dist = 1.56
A 3HZ LYS 30 - A OD1 ASP 40 8 Dist = 1.57
A HD1 TYR 33 - A HE2 PHE 37 12 Dist = 1.57
A 2HB PRO 143 - A 1HD ARG 146 4 Dist = 1.57
A HA TYR 133 - A HD2 PHE 137 11 Dist = 1.57
A HA ILE 36 - A HE1 HIS 96 9 Dist = 1.58
A HA GLN 35 - A 1HA GLY 147 2 Dist = 1.58
A H SER 103 - A OE1 GLU 107 3 Dist = 1.58
A H SER 103 - A OE1 GLU 107 19 Dist = 1.58
A OE1 GLU 107 - A 3HZ LYS 110 16 Dist = 1.59
A O THR 42 - A H ALA 44 20 Dist = 1.59
A 2HB PHE 137 - A 2HB LEU 148 1 Dist = 1.59
A OE1 GLU 65 - A 1HH2 ARG 68 13 Dist = 1.59
A HG SER 130 - A OE1 GLU 132 18 Dist = 1.59
A HB ILE 41 - A HE1 TYR 45 8 Dist = 1.59
A 1HA GLY 99 - A HG LEU 145 12 Dist = 1.59
A 1HB LYS 64 - A 1HB GLU 139 15 Dist = 1.59
A 3HZ LYS 64 - A OD1 ASP 129 8 Dist = 1.59
A 1HB LYS 64 - A 1HB GLU 139 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
The following table contains a list of the covalent bonds
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 Bond Dictionary
Name ID Number Distance Value
------------------------------------------------------------------------
-0.026 LEU A 20 6 CG - CD2 1.495 1.521
0.022 LYS A 10 7 N - CA 1.480 1.458
-0.022 LEU A 20 13 CG - CD2 1.499 1.521
-0.025 LEU A 20 14 CG - CD2 1.496 1.521
-0.022 GLU A 149 15 N - CA 1.436 1.458
0.024 ILE A 41 18 N - CA 1.482 1.458
*** 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
--------------------------------------------------------------------------------
-5.1 PRO A 1 1 CA - N - CD 106.9 112.0
6.0 PRO A 1 1 N - CA - CB 109.0 103.0
-3.8 GLU A 149 1 N - CA - CB 106.7 110.5
-3.8 HIS A 154 1 N - CA - C 107.4 111.2
-6.7 PRO A 1 2 CA - N - CD 105.3 112.0
5.6 PRO A 1 2 N - CA - CB 108.6 103.0
-5.9 PRO A 1 3 CA - N - CD 106.1 112.0
6.0 PRO A 1 3 N - CA - CB 109.0 103.0
-7.0 PRO A 1 4 CA - N - CD 105.0 112.0
5.1 PRO A 1 4 N - CA - CB 108.1 103.0
-6.3 PRO A 1 5 CA - N - CD 105.7 112.0
5.9 PRO A 1 5 N - CA - CB 108.9 103.0
-6.2 PRO A 1 6 CA - N - CD 105.8 112.0
5.7 PRO A 1 6 N - CA - CB 108.7 103.0
3.8 LEU A 20 6 CB - CA - C 113.9 110.1
-5.0 PRO A 1 7 CA - N - CD 107.0 112.0
5.9 PRO A 1 7 N - CA - CB 108.9 103.0
-4.4 GLN A 12 7 N - CA - C 106.8 111.2
-6.7 PRO A 1 8 CA - N - CD 105.3 112.0
5.6 PRO A 1 8 N - CA - CB 108.6 103.0
-3.9 HIS A 153 8 N - CA - C 107.3 111.2
-6.6 PRO A 1 9 CA - N - CD 105.4 112.0
5.7 PRO A 1 9 N - CA - CB 108.7 103.0
-6.1 PRO A 1 10 CA - N - CD 105.9 112.0
6.1 PRO A 1 10 N - CA - CB 109.1 103.0
-6.7 PRO A 1 11 CA - N - CD 105.3 112.0
5.9 PRO A 1 11 N - CA - CB 108.9 103.0
-7.1 PRO A 1 12 CA - N - CD 104.9 112.0
5.7 PRO A 1 12 N - CA - CB 108.7 103.0
-4.0 ASP A 40 12 N - CA - C 107.2 111.2
-3.8 HIS A 152 12 N - CA - C 107.4 111.2
-6.1 PRO A 1 13 CA - N - CD 105.9 112.0
5.9 PRO A 1 13 N - CA - CB 108.9 103.0
3.9 LEU A 20 13 CB - CA - C 114.0 110.1
-6.6 PRO A 1 14 CA - N - CD 105.4 112.0
5.4 PRO A 1 14 N - CA - CB 108.4 103.0
3.9 LEU A 20 14 CB - CA - C 114.0 110.1
-5.9 PRO A 1 15 CA - N - CD 106.1 112.0
6.1 PRO A 1 15 N - CA - CB 109.1 103.0
-6.0 PRO A 1 16 CA - N - CD 106.0 112.0
6.0 PRO A 1 16 N - CA - CB 109.0 103.0
-6.1 PRO A 1 17 CA - N - CD 105.9 112.0
5.9 PRO A 1 17 N - CA - CB 108.9 103.0
4.1 ILE A 41 17 C - N - CA 125.8 121.7
-7.0 PRO A 1 18 CA - N - CD 105.0 112.0
5.3 PRO A 1 18 N - CA - CB 108.3 103.0
-5.8 PRO A 1 19 CA - N - CD 106.2 112.0
6.1 PRO A 1 19 N - CA - CB 109.1 103.0
-5.9 PRO A 1 20 CA - N - CD 106.1 112.0
5.9 PRO A 1 20 N - CA - CB 108.9 103.0
-4.3 HIS A 154 20 N - CA - C 106.9 111.2
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A GLN 2 1HE2
1 A GLN 2 2HE2
1 A ASN 6 1HD2
1 A ASN 6 2HD2
1 A GLN 12 1HE2
1 A GLN 12 2HE2
1 A ASN 26 1HD2
1 A ASN 26 2HD2
1 A GLN 35 1HE2
1 A GLN 35 2HE2
1 A GLN 47 1HE2
1 A GLN 47 2HE2
1 A GLN 55 1HE2
1 A GLN 55 2HE2
1 A ASN 58 1HD2
1 A ASN 58 2HD2
1 A GLN 79 1HE2
1 A GLN 79 2HE2
1 A ASN 86 1HD2
1 A ASN 86 2HD2
1 A GLN 109 1HE2
1 A GLN 109 2HE2
1 A GLN 131 1HE2
1 A GLN 131 2HE2
2 A GLN 2 1HE2
2 A GLN 2 2HE2
2 A ASN 6 1HD2
2 A ASN 6 2HD2
2 A GLN 12 1HE2
2 A GLN 12 2HE2
2 A ASN 26 1HD2
2 A ASN 26 2HD2
2 A GLN 35 1HE2
2 A GLN 35 2HE2
2 A GLN 47 1HE2
2 A GLN 47 2HE2
2 A GLN 55 1HE2
2 A GLN 55 2HE2
2 A ASN 58 1HD2
2 A ASN 58 2HD2
2 A GLN 79 1HE2
2 A GLN 79 2HE2
2 A ASN 86 1HD2
2 A ASN 86 2HD2
2 A GLN 109 1HE2
2 A GLN 109 2HE2
2 A GLN 131 1HE2
2 A GLN 131 2HE2
3 A GLN 2 1HE2
3 A GLN 2 2HE2
3 A ASN 6 1HD2
3 A ASN 6 2HD2
3 A GLN 12 1HE2
3 A GLN 12 2HE2
3 A ASN 26 1HD2
3 A ASN 26 2HD2
3 A GLN 35 1HE2
3 A GLN 35 2HE2
3 A GLN 47 1HE2
3 A GLN 47 2HE2
3 A GLN 55 1HE2
3 A GLN 55 2HE2
3 A ASN 58 1HD2
3 A ASN 58 2HD2
3 A GLN 79 1HE2
3 A GLN 79 2HE2
3 A ASN 86 1HD2
3 A ASN 86 2HD2
3 A GLN 109 1HE2
3 A GLN 109 2HE2
3 A GLN 131 1HE2
3 A GLN 131 2HE2
4 A GLN 2 1HE2
4 A GLN 2 2HE2
4 A ASN 6 1HD2
4 A ASN 6 2HD2
4 A GLN 12 1HE2
4 A GLN 12 2HE2
4 A ASN 26 1HD2
4 A ASN 26 2HD2
4 A GLN 35 1HE2
4 A GLN 35 2HE2
4 A GLN 47 1HE2
4 A GLN 47 2HE2
4 A GLN 55 1HE2
4 A GLN 55 2HE2
4 A ASN 58 1HD2
4 A ASN 58 2HD2
4 A GLN 79 1HE2
4 A GLN 79 2HE2
4 A ASN 86 1HD2
4 A ASN 86 2HD2
4 A GLN 109 1HE2
4 A GLN 109 2HE2
4 A GLN 131 1HE2
4 A GLN 131 2HE2
5 A GLN 2 1HE2
5 A GLN 2 2HE2
5 A ASN 6 1HD2
5 A ASN 6 2HD2
5 A GLN 12 1HE2
5 A GLN 12 2HE2
5 A ASN 26 1HD2
5 A ASN 26 2HD2
5 A GLN 35 1HE2
5 A GLN 35 2HE2
5 A GLN 47 1HE2
5 A GLN 47 2HE2
5 A GLN 55 1HE2
5 A GLN 55 2HE2
5 A ASN 58 1HD2
5 A ASN 58 2HD2
5 A GLN 79 1HE2
5 A GLN 79 2HE2
5 A ASN 86 1HD2
5 A ASN 86 2HD2
5 A GLN 109 1HE2
5 A GLN 109 2HE2
5 A GLN 131 1HE2
5 A GLN 131 2HE2
6 A GLN 2 1HE2
6 A GLN 2 2HE2
6 A ASN 6 1HD2
6 A ASN 6 2HD2
6 A GLN 12 1HE2
6 A GLN 12 2HE2
6 A ASN 26 1HD2
6 A ASN 26 2HD2
6 A GLN 35 1HE2
6 A GLN 35 2HE2
6 A GLN 47 1HE2
6 A GLN 47 2HE2
6 A GLN 55 1HE2
6 A GLN 55 2HE2
6 A ASN 58 1HD2
6 A ASN 58 2HD2
6 A GLN 79 1HE2
6 A GLN 79 2HE2
6 A ASN 86 1HD2
6 A ASN 86 2HD2
6 A GLN 109 1HE2
6 A GLN 109 2HE2
6 A GLN 131 1HE2
6 A GLN 131 2HE2
7 A GLN 2 1HE2
7 A GLN 2 2HE2
7 A ASN 6 1HD2
7 A ASN 6 2HD2
7 A GLN 12 1HE2
7 A GLN 12 2HE2
7 A ASN 26 1HD2
7 A ASN 26 2HD2
7 A GLN 35 1HE2
7 A GLN 35 2HE2
7 A GLN 47 1HE2
7 A GLN 47 2HE2
7 A GLN 55 1HE2
7 A GLN 55 2HE2
7 A ASN 58 1HD2
7 A ASN 58 2HD2
7 A GLN 79 1HE2
7 A GLN 79 2HE2
7 A ASN 86 1HD2
7 A ASN 86 2HD2
7 A GLN 109 1HE2
7 A GLN 109 2HE2
7 A GLN 131 1HE2
7 A GLN 131 2HE2
8 A GLN 2 1HE2
8 A GLN 2 2HE2
8 A ASN 6 1HD2
8 A ASN 6 2HD2
8 A GLN 12 1HE2
8 A GLN 12 2HE2
8 A ASN 26 1HD2
8 A ASN 26 2HD2
8 A GLN 35 1HE2
8 A GLN 35 2HE2
8 A GLN 47 1HE2
8 A GLN 47 2HE2
8 A GLN 55 1HE2
8 A GLN 55 2HE2
8 A ASN 58 1HD2
8 A ASN 58 2HD2
8 A GLN 79 1HE2
8 A GLN 79 2HE2
8 A ASN 86 1HD2
8 A ASN 86 2HD2
8 A GLN 109 1HE2
8 A GLN 109 2HE2
8 A GLN 131 1HE2
8 A GLN 131 2HE2
9 A GLN 2 1HE2
9 A GLN 2 2HE2
9 A ASN 6 1HD2
9 A ASN 6 2HD2
9 A GLN 12 1HE2
9 A GLN 12 2HE2
9 A ASN 26 1HD2
9 A ASN 26 2HD2
9 A GLN 35 1HE2
9 A GLN 35 2HE2
9 A GLN 47 1HE2
9 A GLN 47 2HE2
9 A GLN 55 1HE2
9 A GLN 55 2HE2
9 A ASN 58 1HD2
9 A ASN 58 2HD2
9 A GLN 79 1HE2
9 A GLN 79 2HE2
9 A ASN 86 1HD2
9 A ASN 86 2HD2
9 A GLN 109 1HE2
9 A GLN 109 2HE2
9 A GLN 131 1HE2
9 A GLN 131 2HE2
10 A GLN 2 1HE2
10 A GLN 2 2HE2
10 A ASN 6 1HD2
10 A ASN 6 2HD2
10 A GLN 12 1HE2
10 A GLN 12 2HE2
10 A ASN 26 1HD2
10 A ASN 26 2HD2
10 A GLN 35 1HE2
10 A GLN 35 2HE2
10 A GLN 47 1HE2
10 A GLN 47 2HE2
10 A GLN 55 1HE2
10 A GLN 55 2HE2
10 A ASN 58 1HD2
10 A ASN 58 2HD2
10 A GLN 79 1HE2
10 A GLN 79 2HE2
10 A ASN 86 1HD2
10 A ASN 86 2HD2
10 A GLN 109 1HE2
10 A GLN 109 2HE2
10 A GLN 131 1HE2
10 A GLN 131 2HE2
11 A GLN 2 1HE2
11 A GLN 2 2HE2
11 A ASN 6 1HD2
11 A ASN 6 2HD2
11 A GLN 12 1HE2
11 A GLN 12 2HE2
11 A ASN 26 1HD2
11 A ASN 26 2HD2
11 A GLN 35 1HE2
11 A GLN 35 2HE2
11 A GLN 47 1HE2
11 A GLN 47 2HE2
11 A GLN 55 1HE2
11 A GLN 55 2HE2
11 A ASN 58 1HD2
11 A ASN 58 2HD2
11 A GLN 79 1HE2
11 A GLN 79 2HE2
11 A ASN 86 1HD2
11 A ASN 86 2HD2
11 A GLN 109 1HE2
11 A GLN 109 2HE2
11 A GLN 131 1HE2
11 A GLN 131 2HE2
12 A GLN 2 1HE2
12 A GLN 2 2HE2
12 A ASN 6 1HD2
12 A ASN 6 2HD2
12 A GLN 12 1HE2
12 A GLN 12 2HE2
12 A ASN 26 1HD2
12 A ASN 26 2HD2
12 A GLN 35 1HE2
12 A GLN 35 2HE2
12 A GLN 47 1HE2
12 A GLN 47 2HE2
12 A GLN 55 1HE2
12 A GLN 55 2HE2
12 A ASN 58 1HD2
12 A ASN 58 2HD2
12 A GLN 79 1HE2
12 A GLN 79 2HE2
12 A ASN 86 1HD2
12 A ASN 86 2HD2
12 A GLN 109 1HE2
12 A GLN 109 2HE2
12 A GLN 131 1HE2
12 A GLN 131 2HE2
13 A GLN 2 1HE2
13 A GLN 2 2HE2
13 A ASN 6 1HD2
13 A ASN 6 2HD2
13 A GLN 12 1HE2
13 A GLN 12 2HE2
13 A ASN 26 1HD2
13 A ASN 26 2HD2
13 A GLN 35 1HE2
13 A GLN 35 2HE2
13 A GLN 47 1HE2
13 A GLN 47 2HE2
13 A GLN 55 1HE2
13 A GLN 55 2HE2
13 A ASN 58 1HD2
13 A ASN 58 2HD2
13 A GLN 79 1HE2
13 A GLN 79 2HE2
13 A ASN 86 1HD2
13 A ASN 86 2HD2
13 A GLN 109 1HE2
13 A GLN 109 2HE2
13 A GLN 131 1HE2
13 A GLN 131 2HE2
14 A GLN 2 1HE2
14 A GLN 2 2HE2
14 A ASN 6 1HD2
14 A ASN 6 2HD2
14 A GLN 12 1HE2
14 A GLN 12 2HE2
14 A ASN 26 1HD2
14 A ASN 26 2HD2
14 A GLN 35 1HE2
14 A GLN 35 2HE2
14 A GLN 47 1HE2
14 A GLN 47 2HE2
14 A GLN 55 1HE2
14 A GLN 55 2HE2
14 A ASN 58 1HD2
14 A ASN 58 2HD2
14 A GLN 79 1HE2
14 A GLN 79 2HE2
14 A ASN 86 1HD2
14 A ASN 86 2HD2
14 A GLN 109 1HE2
14 A GLN 109 2HE2
14 A GLN 131 1HE2
14 A GLN 131 2HE2
15 A GLN 2 1HE2
15 A GLN 2 2HE2
15 A ASN 6 1HD2
15 A ASN 6 2HD2
15 A GLN 12 1HE2
15 A GLN 12 2HE2
15 A ASN 26 1HD2
15 A ASN 26 2HD2
15 A GLN 35 1HE2
15 A GLN 35 2HE2
15 A GLN 47 1HE2
15 A GLN 47 2HE2
15 A GLN 55 1HE2
15 A GLN 55 2HE2
15 A ASN 58 1HD2
15 A ASN 58 2HD2
15 A GLN 79 1HE2
15 A GLN 79 2HE2
15 A ASN 86 1HD2
15 A ASN 86 2HD2
15 A GLN 109 1HE2
15 A GLN 109 2HE2
15 A GLN 131 1HE2
15 A GLN 131 2HE2
16 A GLN 2 1HE2
16 A GLN 2 2HE2
16 A ASN 6 1HD2
16 A ASN 6 2HD2
16 A GLN 12 1HE2
16 A GLN 12 2HE2
16 A ASN 26 1HD2
16 A ASN 26 2HD2
16 A GLN 35 1HE2
16 A GLN 35 2HE2
16 A GLN 47 1HE2
16 A GLN 47 2HE2
16 A GLN 55 1HE2
16 A GLN 55 2HE2
16 A ASN 58 1HD2
16 A ASN 58 2HD2
16 A GLN 79 1HE2
16 A GLN 79 2HE2
16 A ASN 86 1HD2
16 A ASN 86 2HD2
16 A GLN 109 1HE2
16 A GLN 109 2HE2
16 A GLN 131 1HE2
16 A GLN 131 2HE2
17 A GLN 2 1HE2
17 A GLN 2 2HE2
17 A ASN 6 1HD2
17 A ASN 6 2HD2
17 A GLN 12 1HE2
17 A GLN 12 2HE2
17 A ASN 26 1HD2
17 A ASN 26 2HD2
17 A GLN 35 1HE2
17 A GLN 35 2HE2
17 A GLN 47 1HE2
17 A GLN 47 2HE2
17 A GLN 55 1HE2
17 A GLN 55 2HE2
17 A ASN 58 1HD2
17 A ASN 58 2HD2
17 A GLN 79 1HE2
17 A GLN 79 2HE2
17 A ASN 86 1HD2
17 A ASN 86 2HD2
17 A GLN 109 1HE2
17 A GLN 109 2HE2
17 A GLN 131 1HE2
17 A GLN 131 2HE2
18 A GLN 2 1HE2
18 A GLN 2 2HE2
18 A ASN 6 1HD2
18 A ASN 6 2HD2
18 A GLN 12 1HE2
18 A GLN 12 2HE2
18 A ASN 26 1HD2
18 A ASN 26 2HD2
18 A GLN 35 1HE2
18 A GLN 35 2HE2
18 A GLN 47 1HE2
18 A GLN 47 2HE2
18 A GLN 55 1HE2
18 A GLN 55 2HE2
18 A ASN 58 1HD2
18 A ASN 58 2HD2
18 A GLN 79 1HE2
18 A GLN 79 2HE2
18 A ASN 86 1HD2
18 A ASN 86 2HD2
18 A GLN 109 1HE2
18 A GLN 109 2HE2
18 A GLN 131 1HE2
18 A GLN 131 2HE2
19 A GLN 2 1HE2
19 A GLN 2 2HE2
19 A ASN 6 1HD2
19 A ASN 6 2HD2
19 A GLN 12 1HE2
19 A GLN 12 2HE2
19 A ASN 26 1HD2
19 A ASN 26 2HD2
19 A GLN 35 1HE2
19 A GLN 35 2HE2
19 A GLN 47 1HE2
19 A GLN 47 2HE2
19 A GLN 55 1HE2
19 A GLN 55 2HE2
19 A ASN 58 1HD2
19 A ASN 58 2HD2
19 A GLN 79 1HE2
19 A GLN 79 2HE2
19 A ASN 86 1HD2
19 A ASN 86 2HD2
19 A GLN 109 1HE2
19 A GLN 109 2HE2
19 A GLN 131 1HE2
19 A GLN 131 2HE2
20 A GLN 2 1HE2
20 A GLN 2 2HE2
20 A ASN 6 1HD2
20 A ASN 6 2HD2
20 A GLN 12 1HE2
20 A GLN 12 2HE2
20 A ASN 26 1HD2
20 A ASN 26 2HD2
20 A GLN 35 1HE2
20 A GLN 35 2HE2
20 A GLN 47 1HE2
20 A GLN 47 2HE2
20 A GLN 55 1HE2
20 A GLN 55 2HE2
20 A ASN 58 1HD2
20 A ASN 58 2HD2
20 A GLN 79 1HE2
20 A GLN 79 2HE2
20 A ASN 86 1HD2
20 A ASN 86 2HD2
20 A GLN 109 1HE2
20 A GLN 109 2HE2
20 A GLN 131 1HE2
20 A GLN 131 2HE2
OTHER IMPORTANT ISSUES
==> The following residues are missing:
(Note: The SEQ number starts from 1 for each chain according to SEQRES
sequence record.)
RES MOD#C SEQ
PRO( 1 A-154 )
GLN( 1 A-153 )
SER( 1 A-152 )
TYR( 1 A-151 )
PHE( 1 A-150 )
ASN( 1 A-149 )
ALA( 1 A-148 )
ALA( 1 A-147 )
ALA( 1 A-146 )
LYS( 1 A-145 )
ARG( 1 A-144 )
GLN( 1 A-143 )
LYS( 1 A-142 )
TYR( 1 A-141 )
ALA( 1 A-140 )
MET( 1 A-139 )
LYS( 1 A-138 )
PRO( 1 A-137 )
GLY( 1 A-136 )
LEU( 1 A-135 )
SER( 1 A-134 )
ALA( 1 A-133 )
LEU( 1 A-132 )
GLU( 1 A-131 )
LYS( 1 A-130 )
ASN( 1 A-129 )
ALA( 1 A-128 )
VAL( 1 A-127 )
ILE( 1 A-126 )
LYS( 1 A-125 )
ALA( 1 A-124 )
ALA( 1 A-123 )
TYR( 1 A-122 )
ARG( 1 A-121 )
GLN( 1 A-120 )
ILE( 1 A-119 )
PHE( 1 A-118 )
GLU( 1 A-117 )
ARG( 1 A-116 )
ASP( 1 A-115 )
ILE( 1 A-114 )
THR( 1 A-113 )
LYS( 1 A-112 )
ALA( 1 A-111 )
TYR( 1 A-110 )
SER( 1 A-109 )
GLN( 1 A-108 )
SER( 1 A-107 )
ILE( 1 A-106 )
SER( 1 A-105 )
TYR( 1 A-104 )
LEU( 1 A-103 )
GLU( 1 A-102 )
SER( 1 A-101 )
GLN( 1 A-100 )
VAL( 1 A -99 )
ARG( 1 A -98 )
ASN( 1 A -97 )
GLY( 1 A -96 )
ASP( 1 A -95 )
ILE( 1 A -94 )
SER( 1 A -93 )
MET( 1 A -92 )
LYS( 1 A -91 )
GLU( 1 A -90 )
PHE( 1 A -89 )
VAL( 1 A -88 )
ARG( 1 A -87 )
ARG( 1 A -86 )
LEU( 1 A -85 )
ALA( 1 A -84 )
LYS( 1 A -83 )
SER( 1 A -82 )
PRO( 1 A -81 )
LEU( 1 A -80 )
TYR( 1 A -79 )
ARG( 1 A -78 )
LYS( 1 A -77 )
GLN( 1 A -76 )
PHE( 1 A -75 )
PHE( 1 A -74 )
GLU( 1 A -73 )
PRO( 1 A -72 )
PHE( 1 A -71 )
ILE( 1 A -70 )
ASN( 1 A -69 )
SER( 1 A -68 )
ARG( 1 A -67 )
ALA( 1 A -66 )
LEU( 1 A -65 )
GLU( 1 A -64 )
LEU( 1 A -63 )
ALA( 1 A -62 )
PHE( 1 A -61 )
ARG( 1 A -60 )
HIS( 1 A -59 )
ILE( 1 A -58 )
LEU( 1 A -57 )
GLY( 1 A -56 )
ARG( 1 A -55 )
GLY( 1 A -54 )
PRO( 1 A -53 )
SER( 1 A -52 )
SER( 1 A -51 )
ARG( 1 A -50 )
GLU( 1 A -49 )
GLU( 1 A -48 )
VAL( 1 A -47 )
GLN( 1 A -46 )
LYS( 1 A -45 )
TYR( 1 A -44 )
PHE( 1 A -43 )
SER( 1 A -42 )
ILE( 1 A -41 )
VAL( 1 A -40 )
SER( 1 A -39 )
SER( 1 A -38 )
GLY( 1 A -37 )
GLY( 1 A -36 )
LEU( 1 A -35 )
PRO( 1 A -34 )
ALA( 1 A -33 )
LEU( 1 A -32 )
VAL( 1 A -31 )
ASP( 1 A -30 )
ALA( 1 A -29 )
LEU( 1 A -28 )
VAL( 1 A -27 )
ASP( 1 A -26 )
SER( 1 A -25 )
GLN( 1 A -24 )
GLU( 1 A -23 )
TYR( 1 A -22 )
ALA( 1 A -21 )
ASP( 1 A -20 )
TYR( 1 A -19 )
PHE( 1 A -18 )
GLY( 1 A -17 )
GLU( 1 A -16 )
GLU( 1 A -15 )
THR( 1 A -14 )
VAL( 1 A -13 )
PRO( 1 A -12 )
TYR( 1 A -11 )
LEU( 1 A -10 )
ARG( 1 A -9 )
GLY( 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 )
PRO( 2 A-154 )
GLN( 2 A-153 )
SER( 2 A-152 )
TYR( 2 A-151 )
PHE( 2 A-150 )
ASN( 2 A-149 )
ALA( 2 A-148 )
ALA( 2 A-147 )
ALA( 2 A-146 )
LYS( 2 A-145 )
ARG( 2 A-144 )
GLN( 2 A-143 )
LYS( 2 A-142 )
TYR( 2 A-141 )
ALA( 2 A-140 )
MET( 2 A-139 )
LYS( 2 A-138 )
PRO( 2 A-137 )
GLY( 2 A-136 )
LEU( 2 A-135 )
SER( 2 A-134 )
ALA( 2 A-133 )
LEU( 2 A-132 )
GLU( 2 A-131 )
LYS( 2 A-130 )
ASN( 2 A-129 )
ALA( 2 A-128 )
VAL( 2 A-127 )
ILE( 2 A-126 )
LYS( 2 A-125 )
ALA( 2 A-124 )
ALA( 2 A-123 )
TYR( 2 A-122 )
ARG( 2 A-121 )
GLN( 2 A-120 )
ILE( 2 A-119 )
PHE( 2 A-118 )
GLU( 2 A-117 )
ARG( 2 A-116 )
ASP( 2 A-115 )
ILE( 2 A-114 )
THR( 2 A-113 )
LYS( 2 A-112 )
ALA( 2 A-111 )
TYR( 2 A-110 )
SER( 2 A-109 )
GLN( 2 A-108 )
SER( 2 A-107 )
ILE( 2 A-106 )
SER( 2 A-105 )
TYR( 2 A-104 )
LEU( 2 A-103 )
GLU( 2 A-102 )
SER( 2 A-101 )
GLN( 2 A-100 )
VAL( 2 A -99 )
ARG( 2 A -98 )
ASN( 2 A -97 )
GLY( 2 A -96 )
ASP( 2 A -95 )
ILE( 2 A -94 )
SER( 2 A -93 )
MET( 2 A -92 )
LYS( 2 A -91 )
GLU( 2 A -90 )
PHE( 2 A -89 )
VAL( 2 A -88 )
ARG( 2 A -87 )
ARG( 2 A -86 )
LEU( 2 A -85 )
ALA( 2 A -84 )
LYS( 2 A -83 )
SER( 2 A -82 )
PRO( 2 A -81 )
LEU( 2 A -80 )
TYR( 2 A -79 )
ARG( 2 A -78 )
LYS( 2 A -77 )
GLN( 2 A -76 )
PHE( 2 A -75 )
PHE( 2 A -74 )
GLU( 2 A -73 )
PRO( 2 A -72 )
PHE( 2 A -71 )
ILE( 2 A -70 )
ASN( 2 A -69 )
SER( 2 A -68 )
ARG( 2 A -67 )
ALA( 2 A -66 )
LEU( 2 A -65 )
GLU( 2 A -64 )
LEU( 2 A -63 )
ALA( 2 A -62 )
PHE( 2 A -61 )
ARG( 2 A -60 )
HIS( 2 A -59 )
ILE( 2 A -58 )
LEU( 2 A -57 )
GLY( 2 A -56 )
ARG( 2 A -55 )
GLY( 2 A -54 )
PRO( 2 A -53 )
SER( 2 A -52 )
SER( 2 A -51 )
ARG( 2 A -50 )
GLU( 2 A -49 )
GLU( 2 A -48 )
VAL( 2 A -47 )
GLN( 2 A -46 )
LYS( 2 A -45 )
TYR( 2 A -44 )
PHE( 2 A -43 )
SER( 2 A -42 )
ILE( 2 A -41 )
VAL( 2 A -40 )
SER( 2 A -39 )
SER( 2 A -38 )
GLY( 2 A -37 )
GLY( 2 A -36 )
LEU( 2 A -35 )
PRO( 2 A -34 )
ALA( 2 A -33 )
LEU( 2 A -32 )
VAL( 2 A -31 )
ASP( 2 A -30 )
ALA( 2 A -29 )
LEU( 2 A -28 )
VAL( 2 A -27 )
ASP( 2 A -26 )
SER( 2 A -25 )
GLN( 2 A -24 )
GLU( 2 A -23 )
TYR( 2 A -22 )
ALA( 2 A -21 )
ASP( 2 A -20 )
TYR( 2 A -19 )
PHE( 2 A -18 )
GLY( 2 A -17 )
GLU( 2 A -16 )
GLU( 2 A -15 )
THR( 2 A -14 )
VAL( 2 A -13 )
PRO( 2 A -12 )
TYR( 2 A -11 )
LEU( 2 A -10 )
ARG( 2 A -9 )
GLY( 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 )
PRO( 3 A-154 )
GLN( 3 A-153 )
SER( 3 A-152 )
TYR( 3 A-151 )
PHE( 3 A-150 )
ASN( 3 A-149 )
ALA( 3 A-148 )
ALA( 3 A-147 )
ALA( 3 A-146 )
LYS( 3 A-145 )
ARG( 3 A-144 )
GLN( 3 A-143 )
LYS( 3 A-142 )
TYR( 3 A-141 )
ALA( 3 A-140 )
MET( 3 A-139 )
LYS( 3 A-138 )
PRO( 3 A-137 )
GLY( 3 A-136 )
LEU( 3 A-135 )
SER( 3 A-134 )
ALA( 3 A-133 )
LEU( 3 A-132 )
GLU( 3 A-131 )
LYS( 3 A-130 )
ASN( 3 A-129 )
ALA( 3 A-128 )
VAL( 3 A-127 )
ILE( 3 A-126 )
LYS( 3 A-125 )
ALA( 3 A-124 )
ALA( 3 A-123 )
TYR( 3 A-122 )
ARG( 3 A-121 )
GLN( 3 A-120 )
ILE( 3 A-119 )
PHE( 3 A-118 )
GLU( 3 A-117 )
ARG( 3 A-116 )
ASP( 3 A-115 )
ILE( 3 A-114 )
THR( 3 A-113 )
LYS( 3 A-112 )
ALA( 3 A-111 )
TYR( 3 A-110 )
SER( 3 A-109 )
GLN( 3 A-108 )
SER( 3 A-107 )
ILE( 3 A-106 )
SER( 3 A-105 )
TYR( 3 A-104 )
LEU( 3 A-103 )
GLU( 3 A-102 )
SER( 3 A-101 )
GLN( 3 A-100 )
VAL( 3 A -99 )
ARG( 3 A -98 )
ASN( 3 A -97 )
GLY( 3 A -96 )
ASP( 3 A -95 )
ILE( 3 A -94 )
SER( 3 A -93 )
MET( 3 A -92 )
LYS( 3 A -91 )
GLU( 3 A -90 )
PHE( 3 A -89 )
VAL( 3 A -88 )
ARG( 3 A -87 )
ARG( 3 A -86 )
LEU( 3 A -85 )
ALA( 3 A -84 )
LYS( 3 A -83 )
SER( 3 A -82 )
PRO( 3 A -81 )
LEU( 3 A -80 )
TYR( 3 A -79 )
ARG( 3 A -78 )
LYS( 3 A -77 )
GLN( 3 A -76 )
PHE( 3 A -75 )
PHE( 3 A -74 )
GLU( 3 A -73 )
PRO( 3 A -72 )
PHE( 3 A -71 )
ILE( 3 A -70 )
ASN( 3 A -69 )
SER( 3 A -68 )
ARG( 3 A -67 )
ALA( 3 A -66 )
LEU( 3 A -65 )
GLU( 3 A -64 )
LEU( 3 A -63 )
ALA( 3 A -62 )
PHE( 3 A -61 )
ARG( 3 A -60 )
HIS( 3 A -59 )
ILE( 3 A -58 )
LEU( 3 A -57 )
GLY( 3 A -56 )
ARG( 3 A -55 )
GLY( 3 A -54 )
PRO( 3 A -53 )
SER( 3 A -52 )
SER( 3 A -51 )
ARG( 3 A -50 )
GLU( 3 A -49 )
GLU( 3 A -48 )
VAL( 3 A -47 )
GLN( 3 A -46 )
LYS( 3 A -45 )
TYR( 3 A -44 )
PHE( 3 A -43 )
SER( 3 A -42 )
ILE( 3 A -41 )
VAL( 3 A -40 )
SER( 3 A -39 )
SER( 3 A -38 )
GLY( 3 A -37 )
GLY( 3 A -36 )
LEU( 3 A -35 )
PRO( 3 A -34 )
ALA( 3 A -33 )
LEU( 3 A -32 )
VAL( 3 A -31 )
ASP( 3 A -30 )
ALA( 3 A -29 )
LEU( 3 A -28 )
VAL( 3 A -27 )
ASP( 3 A -26 )
SER( 3 A -25 )
GLN( 3 A -24 )
GLU( 3 A -23 )
TYR( 3 A -22 )
ALA( 3 A -21 )
ASP( 3 A -20 )
TYR( 3 A -19 )
PHE( 3 A -18 )
GLY( 3 A -17 )
GLU( 3 A -16 )
GLU( 3 A -15 )
THR( 3 A -14 )
VAL( 3 A -13 )
PRO( 3 A -12 )
TYR( 3 A -11 )
LEU( 3 A -10 )
ARG( 3 A -9 )
GLY( 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 )
PRO( 4 A-154 )
GLN( 4 A-153 )
SER( 4 A-152 )
TYR( 4 A-151 )
PHE( 4 A-150 )
ASN( 4 A-149 )
ALA( 4 A-148 )
ALA( 4 A-147 )
ALA( 4 A-146 )
LYS( 4 A-145 )
ARG( 4 A-144 )
GLN( 4 A-143 )
LYS( 4 A-142 )
TYR( 4 A-141 )
ALA( 4 A-140 )
MET( 4 A-139 )
LYS( 4 A-138 )
PRO( 4 A-137 )
GLY( 4 A-136 )
LEU( 4 A-135 )
SER( 4 A-134 )
ALA( 4 A-133 )
LEU( 4 A-132 )
GLU( 4 A-131 )
LYS( 4 A-130 )
ASN( 4 A-129 )
ALA( 4 A-128 )
VAL( 4 A-127 )
ILE( 4 A-126 )
LYS( 4 A-125 )
ALA( 4 A-124 )
ALA( 4 A-123 )
TYR( 4 A-122 )
ARG( 4 A-121 )
GLN( 4 A-120 )
ILE( 4 A-119 )
PHE( 4 A-118 )
GLU( 4 A-117 )
ARG( 4 A-116 )
ASP( 4 A-115 )
ILE( 4 A-114 )
THR( 4 A-113 )
LYS( 4 A-112 )
ALA( 4 A-111 )
TYR( 4 A-110 )
SER( 4 A-109 )
GLN( 4 A-108 )
SER( 4 A-107 )
ILE( 4 A-106 )
SER( 4 A-105 )
TYR( 4 A-104 )
LEU( 4 A-103 )
GLU( 4 A-102 )
SER( 4 A-101 )
GLN( 4 A-100 )
VAL( 4 A -99 )
ARG( 4 A -98 )
ASN( 4 A -97 )
GLY( 4 A -96 )
ASP( 4 A -95 )
ILE( 4 A -94 )
SER( 4 A -93 )
MET( 4 A -92 )
LYS( 4 A -91 )
GLU( 4 A -90 )
PHE( 4 A -89 )
VAL( 4 A -88 )
ARG( 4 A -87 )
ARG( 4 A -86 )
LEU( 4 A -85 )
ALA( 4 A -84 )
LYS( 4 A -83 )
SER( 4 A -82 )
PRO( 4 A -81 )
LEU( 4 A -80 )
TYR( 4 A -79 )
ARG( 4 A -78 )
LYS( 4 A -77 )
GLN( 4 A -76 )
PHE( 4 A -75 )
PHE( 4 A -74 )
GLU( 4 A -73 )
PRO( 4 A -72 )
PHE( 4 A -71 )
ILE( 4 A -70 )
ASN( 4 A -69 )
SER( 4 A -68 )
ARG( 4 A -67 )
ALA( 4 A -66 )
LEU( 4 A -65 )
GLU( 4 A -64 )
LEU( 4 A -63 )
ALA( 4 A -62 )
PHE( 4 A -61 )
ARG( 4 A -60 )
HIS( 4 A -59 )
ILE( 4 A -58 )
LEU( 4 A -57 )
GLY( 4 A -56 )
ARG( 4 A -55 )
GLY( 4 A -54 )
PRO( 4 A -53 )
SER( 4 A -52 )
SER( 4 A -51 )
ARG( 4 A -50 )
GLU( 4 A -49 )
GLU( 4 A -48 )
VAL( 4 A -47 )
GLN( 4 A -46 )
LYS( 4 A -45 )
TYR( 4 A -44 )
PHE( 4 A -43 )
SER( 4 A -42 )
ILE( 4 A -41 )
VAL( 4 A -40 )
SER( 4 A -39 )
SER( 4 A -38 )
GLY( 4 A -37 )
GLY( 4 A -36 )
LEU( 4 A -35 )
PRO( 4 A -34 )
ALA( 4 A -33 )
LEU( 4 A -32 )
VAL( 4 A -31 )
ASP( 4 A -30 )
ALA( 4 A -29 )
LEU( 4 A -28 )
VAL( 4 A -27 )
ASP( 4 A -26 )
SER( 4 A -25 )
GLN( 4 A -24 )
GLU( 4 A -23 )
TYR( 4 A -22 )
ALA( 4 A -21 )
ASP( 4 A -20 )
TYR( 4 A -19 )
PHE( 4 A -18 )
GLY( 4 A -17 )
GLU( 4 A -16 )
GLU( 4 A -15 )
THR( 4 A -14 )
VAL( 4 A -13 )
PRO( 4 A -12 )
TYR( 4 A -11 )
LEU( 4 A -10 )
ARG( 4 A -9 )
GLY( 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 )
PRO( 5 A-154 )
GLN( 5 A-153 )
SER( 5 A-152 )
TYR( 5 A-151 )
PHE( 5 A-150 )
ASN( 5 A-149 )
ALA( 5 A-148 )
ALA( 5 A-147 )
ALA( 5 A-146 )
LYS( 5 A-145 )
ARG( 5 A-144 )
GLN( 5 A-143 )
LYS( 5 A-142 )
TYR( 5 A-141 )
ALA( 5 A-140 )
MET( 5 A-139 )
LYS( 5 A-138 )
PRO( 5 A-137 )
GLY( 5 A-136 )
LEU( 5 A-135 )
SER( 5 A-134 )
ALA( 5 A-133 )
LEU( 5 A-132 )
GLU( 5 A-131 )
LYS( 5 A-130 )
ASN( 5 A-129 )
ALA( 5 A-128 )
VAL( 5 A-127 )
ILE( 5 A-126 )
LYS( 5 A-125 )
ALA( 5 A-124 )
ALA( 5 A-123 )
TYR( 5 A-122 )
ARG( 5 A-121 )
GLN( 5 A-120 )
ILE( 5 A-119 )
PHE( 5 A-118 )
GLU( 5 A-117 )
ARG( 5 A-116 )
ASP( 5 A-115 )
ILE( 5 A-114 )
THR( 5 A-113 )
LYS( 5 A-112 )
ALA( 5 A-111 )
TYR( 5 A-110 )
SER( 5 A-109 )
GLN( 5 A-108 )
SER( 5 A-107 )
ILE( 5 A-106 )
SER( 5 A-105 )
TYR( 5 A-104 )
LEU( 5 A-103 )
GLU( 5 A-102 )
SER( 5 A-101 )
GLN( 5 A-100 )
VAL( 5 A -99 )
ARG( 5 A -98 )
ASN( 5 A -97 )
GLY( 5 A -96 )
ASP( 5 A -95 )
ILE( 5 A -94 )
SER( 5 A -93 )
MET( 5 A -92 )
LYS( 5 A -91 )
GLU( 5 A -90 )
PHE( 5 A -89 )
VAL( 5 A -88 )
ARG( 5 A -87 )
ARG( 5 A -86 )
LEU( 5 A -85 )
ALA( 5 A -84 )
LYS( 5 A -83 )
SER( 5 A -82 )
PRO( 5 A -81 )
LEU( 5 A -80 )
TYR( 5 A -79 )
ARG( 5 A -78 )
LYS( 5 A -77 )
GLN( 5 A -76 )
PHE( 5 A -75 )
PHE( 5 A -74 )
GLU( 5 A -73 )
PRO( 5 A -72 )
PHE( 5 A -71 )
ILE( 5 A -70 )
ASN( 5 A -69 )
SER( 5 A -68 )
ARG( 5 A -67 )
ALA( 5 A -66 )
LEU( 5 A -65 )
GLU( 5 A -64 )
LEU( 5 A -63 )
ALA( 5 A -62 )
PHE( 5 A -61 )
ARG( 5 A -60 )
HIS( 5 A -59 )
ILE( 5 A -58 )
LEU( 5 A -57 )
GLY( 5 A -56 )
ARG( 5 A -55 )
GLY( 5 A -54 )
PRO( 5 A -53 )
SER( 5 A -52 )
SER( 5 A -51 )
ARG( 5 A -50 )
GLU( 5 A -49 )
GLU( 5 A -48 )
VAL( 5 A -47 )
GLN( 5 A -46 )
LYS( 5 A -45 )
TYR( 5 A -44 )
PHE( 5 A -43 )
SER( 5 A -42 )
ILE( 5 A -41 )
VAL( 5 A -40 )
SER( 5 A -39 )
SER( 5 A -38 )
GLY( 5 A -37 )
GLY( 5 A -36 )
LEU( 5 A -35 )
PRO( 5 A -34 )
ALA( 5 A -33 )
LEU( 5 A -32 )
VAL( 5 A -31 )
ASP( 5 A -30 )
ALA( 5 A -29 )
LEU( 5 A -28 )
VAL( 5 A -27 )
ASP( 5 A -26 )
SER( 5 A -25 )
GLN( 5 A -24 )
GLU( 5 A -23 )
TYR( 5 A -22 )
ALA( 5 A -21 )
ASP( 5 A -20 )
TYR( 5 A -19 )
PHE( 5 A -18 )
GLY( 5 A -17 )
GLU( 5 A -16 )
GLU( 5 A -15 )
THR( 5 A -14 )
VAL( 5 A -13 )
PRO( 5 A -12 )
TYR( 5 A -11 )
LEU( 5 A -10 )
ARG( 5 A -9 )
GLY( 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 )
PRO( 6 A-154 )
GLN( 6 A-153 )
SER( 6 A-152 )
TYR( 6 A-151 )
PHE( 6 A-150 )
ASN( 6 A-149 )
ALA( 6 A-148 )
ALA( 6 A-147 )
ALA( 6 A-146 )
LYS( 6 A-145 )
ARG( 6 A-144 )
GLN( 6 A-143 )
LYS( 6 A-142 )
TYR( 6 A-141 )
ALA( 6 A-140 )
MET( 6 A-139 )
LYS( 6 A-138 )
PRO( 6 A-137 )
GLY( 6 A-136 )
LEU( 6 A-135 )
SER( 6 A-134 )
ALA( 6 A-133 )
LEU( 6 A-132 )
GLU( 6 A-131 )
LYS( 6 A-130 )
ASN( 6 A-129 )
ALA( 6 A-128 )
VAL( 6 A-127 )
ILE( 6 A-126 )
LYS( 6 A-125 )
ALA( 6 A-124 )
ALA( 6 A-123 )
TYR( 6 A-122 )
ARG( 6 A-121 )
GLN( 6 A-120 )
ILE( 6 A-119 )
PHE( 6 A-118 )
GLU( 6 A-117 )
ARG( 6 A-116 )
ASP( 6 A-115 )
ILE( 6 A-114 )
THR( 6 A-113 )
LYS( 6 A-112 )
ALA( 6 A-111 )
TYR( 6 A-110 )
SER( 6 A-109 )
GLN( 6 A-108 )
SER( 6 A-107 )
ILE( 6 A-106 )
SER( 6 A-105 )
TYR( 6 A-104 )
LEU( 6 A-103 )
GLU( 6 A-102 )
SER( 6 A-101 )
GLN( 6 A-100 )
VAL( 6 A -99 )
ARG( 6 A -98 )
ASN( 6 A -97 )
GLY( 6 A -96 )
ASP( 6 A -95 )
ILE( 6 A -94 )
SER( 6 A -93 )
MET( 6 A -92 )
LYS( 6 A -91 )
GLU( 6 A -90 )
PHE( 6 A -89 )
VAL( 6 A -88 )
ARG( 6 A -87 )
ARG( 6 A -86 )
LEU( 6 A -85 )
ALA( 6 A -84 )
LYS( 6 A -83 )
SER( 6 A -82 )
PRO( 6 A -81 )
LEU( 6 A -80 )
TYR( 6 A -79 )
ARG( 6 A -78 )
LYS( 6 A -77 )
GLN( 6 A -76 )
PHE( 6 A -75 )
PHE( 6 A -74 )
GLU( 6 A -73 )
PRO( 6 A -72 )
PHE( 6 A -71 )
ILE( 6 A -70 )
ASN( 6 A -69 )
SER( 6 A -68 )
ARG( 6 A -67 )
ALA( 6 A -66 )
LEU( 6 A -65 )
GLU( 6 A -64 )
LEU( 6 A -63 )
ALA( 6 A -62 )
PHE( 6 A -61 )
ARG( 6 A -60 )
HIS( 6 A -59 )
ILE( 6 A -58 )
LEU( 6 A -57 )
GLY( 6 A -56 )
ARG( 6 A -55 )
GLY( 6 A -54 )
PRO( 6 A -53 )
SER( 6 A -52 )
SER( 6 A -51 )
ARG( 6 A -50 )
GLU( 6 A -49 )
GLU( 6 A -48 )
VAL( 6 A -47 )
GLN( 6 A -46 )
LYS( 6 A -45 )
TYR( 6 A -44 )
PHE( 6 A -43 )
SER( 6 A -42 )
ILE( 6 A -41 )
VAL( 6 A -40 )
SER( 6 A -39 )
SER( 6 A -38 )
GLY( 6 A -37 )
GLY( 6 A -36 )
LEU( 6 A -35 )
PRO( 6 A -34 )
ALA( 6 A -33 )
LEU( 6 A -32 )
VAL( 6 A -31 )
ASP( 6 A -30 )
ALA( 6 A -29 )
LEU( 6 A -28 )
VAL( 6 A -27 )
ASP( 6 A -26 )
SER( 6 A -25 )
GLN( 6 A -24 )
GLU( 6 A -23 )
TYR( 6 A -22 )
ALA( 6 A -21 )
ASP( 6 A -20 )
TYR( 6 A -19 )
PHE( 6 A -18 )
GLY( 6 A -17 )
GLU( 6 A -16 )
GLU( 6 A -15 )
THR( 6 A -14 )
VAL( 6 A -13 )
PRO( 6 A -12 )
TYR( 6 A -11 )
LEU( 6 A -10 )
ARG( 6 A -9 )
GLY( 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 )
PRO( 7 A-154 )
GLN( 7 A-153 )
SER( 7 A-152 )
TYR( 7 A-151 )
PHE( 7 A-150 )
ASN( 7 A-149 )
ALA( 7 A-148 )
ALA( 7 A-147 )
ALA( 7 A-146 )
LYS( 7 A-145 )
ARG( 7 A-144 )
GLN( 7 A-143 )
LYS( 7 A-142 )
TYR( 7 A-141 )
ALA( 7 A-140 )
MET( 7 A-139 )
LYS( 7 A-138 )
PRO( 7 A-137 )
GLY( 7 A-136 )
LEU( 7 A-135 )
SER( 7 A-134 )
ALA( 7 A-133 )
LEU( 7 A-132 )
GLU( 7 A-131 )
LYS( 7 A-130 )
ASN( 7 A-129 )
ALA( 7 A-128 )
VAL( 7 A-127 )
ILE( 7 A-126 )
LYS( 7 A-125 )
ALA( 7 A-124 )
ALA( 7 A-123 )
TYR( 7 A-122 )
ARG( 7 A-121 )
GLN( 7 A-120 )
ILE( 7 A-119 )
PHE( 7 A-118 )
GLU( 7 A-117 )
ARG( 7 A-116 )
ASP( 7 A-115 )
ILE( 7 A-114 )
THR( 7 A-113 )
LYS( 7 A-112 )
ALA( 7 A-111 )
TYR( 7 A-110 )
SER( 7 A-109 )
GLN( 7 A-108 )
SER( 7 A-107 )
ILE( 7 A-106 )
SER( 7 A-105 )
TYR( 7 A-104 )
LEU( 7 A-103 )
GLU( 7 A-102 )
SER( 7 A-101 )
GLN( 7 A-100 )
VAL( 7 A -99 )
ARG( 7 A -98 )
ASN( 7 A -97 )
GLY( 7 A -96 )
ASP( 7 A -95 )
ILE( 7 A -94 )
SER( 7 A -93 )
MET( 7 A -92 )
LYS( 7 A -91 )
GLU( 7 A -90 )
PHE( 7 A -89 )
VAL( 7 A -88 )
ARG( 7 A -87 )
ARG( 7 A -86 )
LEU( 7 A -85 )
ALA( 7 A -84 )
LYS( 7 A -83 )
SER( 7 A -82 )
PRO( 7 A -81 )
LEU( 7 A -80 )
TYR( 7 A -79 )
ARG( 7 A -78 )
LYS( 7 A -77 )
GLN( 7 A -76 )
PHE( 7 A -75 )
PHE( 7 A -74 )
GLU( 7 A -73 )
PRO( 7 A -72 )
PHE( 7 A -71 )
ILE( 7 A -70 )
ASN( 7 A -69 )
SER( 7 A -68 )
ARG( 7 A -67 )
ALA( 7 A -66 )
LEU( 7 A -65 )
GLU( 7 A -64 )
LEU( 7 A -63 )
ALA( 7 A -62 )
PHE( 7 A -61 )
ARG( 7 A -60 )
HIS( 7 A -59 )
ILE( 7 A -58 )
LEU( 7 A -57 )
GLY( 7 A -56 )
ARG( 7 A -55 )
GLY( 7 A -54 )
PRO( 7 A -53 )
SER( 7 A -52 )
SER( 7 A -51 )
ARG( 7 A -50 )
GLU( 7 A -49 )
GLU( 7 A -48 )
VAL( 7 A -47 )
GLN( 7 A -46 )
LYS( 7 A -45 )
TYR( 7 A -44 )
PHE( 7 A -43 )
SER( 7 A -42 )
ILE( 7 A -41 )
VAL( 7 A -40 )
SER( 7 A -39 )
SER( 7 A -38 )
GLY( 7 A -37 )
GLY( 7 A -36 )
LEU( 7 A -35 )
PRO( 7 A -34 )
ALA( 7 A -33 )
LEU( 7 A -32 )
VAL( 7 A -31 )
ASP( 7 A -30 )
ALA( 7 A -29 )
LEU( 7 A -28 )
VAL( 7 A -27 )
ASP( 7 A -26 )
SER( 7 A -25 )
GLN( 7 A -24 )
GLU( 7 A -23 )
TYR( 7 A -22 )
ALA( 7 A -21 )
ASP( 7 A -20 )
TYR( 7 A -19 )
PHE( 7 A -18 )
GLY( 7 A -17 )
GLU( 7 A -16 )
GLU( 7 A -15 )
THR( 7 A -14 )
VAL( 7 A -13 )
PRO( 7 A -12 )
TYR( 7 A -11 )
LEU( 7 A -10 )
ARG( 7 A -9 )
GLY( 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 )
PRO( 8 A-154 )
GLN( 8 A-153 )
SER( 8 A-152 )
TYR( 8 A-151 )
PHE( 8 A-150 )
ASN( 8 A-149 )
ALA( 8 A-148 )
ALA( 8 A-147 )
ALA( 8 A-146 )
LYS( 8 A-145 )
ARG( 8 A-144 )
GLN( 8 A-143 )
LYS( 8 A-142 )
TYR( 8 A-141 )
ALA( 8 A-140 )
MET( 8 A-139 )
LYS( 8 A-138 )
PRO( 8 A-137 )
GLY( 8 A-136 )
LEU( 8 A-135 )
SER( 8 A-134 )
ALA( 8 A-133 )
LEU( 8 A-132 )
GLU( 8 A-131 )
LYS( 8 A-130 )
ASN( 8 A-129 )
ALA( 8 A-128 )
VAL( 8 A-127 )
ILE( 8 A-126 )
LYS( 8 A-125 )
ALA( 8 A-124 )
ALA( 8 A-123 )
TYR( 8 A-122 )
ARG( 8 A-121 )
GLN( 8 A-120 )
ILE( 8 A-119 )
PHE( 8 A-118 )
GLU( 8 A-117 )
ARG( 8 A-116 )
ASP( 8 A-115 )
ILE( 8 A-114 )
THR( 8 A-113 )
LYS( 8 A-112 )
ALA( 8 A-111 )
TYR( 8 A-110 )
SER( 8 A-109 )
GLN( 8 A-108 )
SER( 8 A-107 )
ILE( 8 A-106 )
SER( 8 A-105 )
TYR( 8 A-104 )
LEU( 8 A-103 )
GLU( 8 A-102 )
SER( 8 A-101 )
GLN( 8 A-100 )
VAL( 8 A -99 )
ARG( 8 A -98 )
ASN( 8 A -97 )
GLY( 8 A -96 )
ASP( 8 A -95 )
ILE( 8 A -94 )
SER( 8 A -93 )
MET( 8 A -92 )
LYS( 8 A -91 )
GLU( 8 A -90 )
PHE( 8 A -89 )
VAL( 8 A -88 )
ARG( 8 A -87 )
ARG( 8 A -86 )
LEU( 8 A -85 )
ALA( 8 A -84 )
LYS( 8 A -83 )
SER( 8 A -82 )
PRO( 8 A -81 )
LEU( 8 A -80 )
TYR( 8 A -79 )
ARG( 8 A -78 )
LYS( 8 A -77 )
GLN( 8 A -76 )
PHE( 8 A -75 )
PHE( 8 A -74 )
GLU( 8 A -73 )
PRO( 8 A -72 )
PHE( 8 A -71 )
ILE( 8 A -70 )
ASN( 8 A -69 )
SER( 8 A -68 )
ARG( 8 A -67 )
ALA( 8 A -66 )
LEU( 8 A -65 )
GLU( 8 A -64 )
LEU( 8 A -63 )
ALA( 8 A -62 )
PHE( 8 A -61 )
ARG( 8 A -60 )
HIS( 8 A -59 )
ILE( 8 A -58 )
LEU( 8 A -57 )
GLY( 8 A -56 )
ARG( 8 A -55 )
GLY( 8 A -54 )
PRO( 8 A -53 )
SER( 8 A -52 )
SER( 8 A -51 )
ARG( 8 A -50 )
GLU( 8 A -49 )
GLU( 8 A -48 )
VAL( 8 A -47 )
GLN( 8 A -46 )
LYS( 8 A -45 )
TYR( 8 A -44 )
PHE( 8 A -43 )
SER( 8 A -42 )
ILE( 8 A -41 )
VAL( 8 A -40 )
SER( 8 A -39 )
SER( 8 A -38 )
GLY( 8 A -37 )
GLY( 8 A -36 )
LEU( 8 A -35 )
PRO( 8 A -34 )
ALA( 8 A -33 )
LEU( 8 A -32 )
VAL( 8 A -31 )
ASP( 8 A -30 )
ALA( 8 A -29 )
LEU( 8 A -28 )
VAL( 8 A -27 )
ASP( 8 A -26 )
SER( 8 A -25 )
GLN( 8 A -24 )
GLU( 8 A -23 )
TYR( 8 A -22 )
ALA( 8 A -21 )
ASP( 8 A -20 )
TYR( 8 A -19 )
PHE( 8 A -18 )
GLY( 8 A -17 )
GLU( 8 A -16 )
GLU( 8 A -15 )
THR( 8 A -14 )
VAL( 8 A -13 )
PRO( 8 A -12 )
TYR( 8 A -11 )
LEU( 8 A -10 )
ARG( 8 A -9 )
GLY( 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 )
PRO( 9 A-154 )
GLN( 9 A-153 )
SER( 9 A-152 )
TYR( 9 A-151 )
PHE( 9 A-150 )
ASN( 9 A-149 )
ALA( 9 A-148 )
ALA( 9 A-147 )
ALA( 9 A-146 )
LYS( 9 A-145 )
ARG( 9 A-144 )
GLN( 9 A-143 )
LYS( 9 A-142 )
TYR( 9 A-141 )
ALA( 9 A-140 )
MET( 9 A-139 )
LYS( 9 A-138 )
PRO( 9 A-137 )
GLY( 9 A-136 )
LEU( 9 A-135 )
SER( 9 A-134 )
ALA( 9 A-133 )
LEU( 9 A-132 )
GLU( 9 A-131 )
LYS( 9 A-130 )
ASN( 9 A-129 )
ALA( 9 A-128 )
VAL( 9 A-127 )
ILE( 9 A-126 )
LYS( 9 A-125 )
ALA( 9 A-124 )
ALA( 9 A-123 )
TYR( 9 A-122 )
ARG( 9 A-121 )
GLN( 9 A-120 )
ILE( 9 A-119 )
PHE( 9 A-118 )
GLU( 9 A-117 )
ARG( 9 A-116 )
ASP( 9 A-115 )
ILE( 9 A-114 )
THR( 9 A-113 )
LYS( 9 A-112 )
ALA( 9 A-111 )
TYR( 9 A-110 )
SER( 9 A-109 )
GLN( 9 A-108 )
SER( 9 A-107 )
ILE( 9 A-106 )
SER( 9 A-105 )
TYR( 9 A-104 )
LEU( 9 A-103 )
GLU( 9 A-102 )
SER( 9 A-101 )
GLN( 9 A-100 )
VAL( 9 A -99 )
ARG( 9 A -98 )
ASN( 9 A -97 )
GLY( 9 A -96 )
ASP( 9 A -95 )
ILE( 9 A -94 )
SER( 9 A -93 )
MET( 9 A -92 )
LYS( 9 A -91 )
GLU( 9 A -90 )
PHE( 9 A -89 )
VAL( 9 A -88 )
ARG( 9 A -87 )
ARG( 9 A -86 )
LEU( 9 A -85 )
ALA( 9 A -84 )
LYS( 9 A -83 )
SER( 9 A -82 )
PRO( 9 A -81 )
LEU( 9 A -80 )
TYR( 9 A -79 )
ARG( 9 A -78 )
LYS( 9 A -77 )
GLN( 9 A -76 )
PHE( 9 A -75 )
PHE( 9 A -74 )
GLU( 9 A -73 )
PRO( 9 A -72 )
PHE( 9 A -71 )
ILE( 9 A -70 )
ASN( 9 A -69 )
SER( 9 A -68 )
ARG( 9 A -67 )
ALA( 9 A -66 )
LEU( 9 A -65 )
GLU( 9 A -64 )
LEU( 9 A -63 )
ALA( 9 A -62 )
PHE( 9 A -61 )
ARG( 9 A -60 )
HIS( 9 A -59 )
ILE( 9 A -58 )
LEU( 9 A -57 )
GLY( 9 A -56 )
ARG( 9 A -55 )
GLY( 9 A -54 )
PRO( 9 A -53 )
SER( 9 A -52 )
SER( 9 A -51 )
ARG( 9 A -50 )
GLU( 9 A -49 )
GLU( 9 A -48 )
VAL( 9 A -47 )
GLN( 9 A -46 )
LYS( 9 A -45 )
TYR( 9 A -44 )
PHE( 9 A -43 )
SER( 9 A -42 )
ILE( 9 A -41 )
VAL( 9 A -40 )
SER( 9 A -39 )
SER( 9 A -38 )
GLY( 9 A -37 )
GLY( 9 A -36 )
LEU( 9 A -35 )
PRO( 9 A -34 )
ALA( 9 A -33 )
LEU( 9 A -32 )
VAL( 9 A -31 )
ASP( 9 A -30 )
ALA( 9 A -29 )
LEU( 9 A -28 )
VAL( 9 A -27 )
ASP( 9 A -26 )
SER( 9 A -25 )
GLN( 9 A -24 )
GLU( 9 A -23 )
TYR( 9 A -22 )
ALA( 9 A -21 )
ASP( 9 A -20 )
TYR( 9 A -19 )
PHE( 9 A -18 )
GLY( 9 A -17 )
GLU( 9 A -16 )
GLU( 9 A -15 )
THR( 9 A -14 )
VAL( 9 A -13 )
PRO( 9 A -12 )
TYR( 9 A -11 )
LEU( 9 A -10 )
ARG( 9 A -9 )
GLY( 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 )
PRO( 10 A-154 )
GLN( 10 A-153 )
SER( 10 A-152 )
TYR( 10 A-151 )
PHE( 10 A-150 )
ASN( 10 A-149 )
ALA( 10 A-148 )
ALA( 10 A-147 )
ALA( 10 A-146 )
LYS( 10 A-145 )
ARG( 10 A-144 )
GLN( 10 A-143 )
LYS( 10 A-142 )
TYR( 10 A-141 )
ALA( 10 A-140 )
MET( 10 A-139 )
LYS( 10 A-138 )
PRO( 10 A-137 )
GLY( 10 A-136 )
LEU( 10 A-135 )
SER( 10 A-134 )
ALA( 10 A-133 )
LEU( 10 A-132 )
GLU( 10 A-131 )
LYS( 10 A-130 )
ASN( 10 A-129 )
ALA( 10 A-128 )
VAL( 10 A-127 )
ILE( 10 A-126 )
LYS( 10 A-125 )
ALA( 10 A-124 )
ALA( 10 A-123 )
TYR( 10 A-122 )
ARG( 10 A-121 )
GLN( 10 A-120 )
ILE( 10 A-119 )
PHE( 10 A-118 )
GLU( 10 A-117 )
ARG( 10 A-116 )
ASP( 10 A-115 )
ILE( 10 A-114 )
THR( 10 A-113 )
LYS( 10 A-112 )
ALA( 10 A-111 )
TYR( 10 A-110 )
SER( 10 A-109 )
GLN( 10 A-108 )
SER( 10 A-107 )
ILE( 10 A-106 )
SER( 10 A-105 )
TYR( 10 A-104 )
LEU( 10 A-103 )
GLU( 10 A-102 )
SER( 10 A-101 )
GLN( 10 A-100 )
VAL( 10 A -99 )
ARG( 10 A -98 )
ASN( 10 A -97 )
GLY( 10 A -96 )
ASP( 10 A -95 )
ILE( 10 A -94 )
SER( 10 A -93 )
MET( 10 A -92 )
LYS( 10 A -91 )
GLU( 10 A -90 )
PHE( 10 A -89 )
VAL( 10 A -88 )
ARG( 10 A -87 )
ARG( 10 A -86 )
LEU( 10 A -85 )
ALA( 10 A -84 )
LYS( 10 A -83 )
SER( 10 A -82 )
PRO( 10 A -81 )
LEU( 10 A -80 )
TYR( 10 A -79 )
ARG( 10 A -78 )
LYS( 10 A -77 )
GLN( 10 A -76 )
PHE( 10 A -75 )
PHE( 10 A -74 )
GLU( 10 A -73 )
PRO( 10 A -72 )
PHE( 10 A -71 )
ILE( 10 A -70 )
ASN( 10 A -69 )
SER( 10 A -68 )
ARG( 10 A -67 )
ALA( 10 A -66 )
LEU( 10 A -65 )
GLU( 10 A -64 )
LEU( 10 A -63 )
ALA( 10 A -62 )
PHE( 10 A -61 )
ARG( 10 A -60 )
HIS( 10 A -59 )
ILE( 10 A -58 )
LEU( 10 A -57 )
GLY( 10 A -56 )
ARG( 10 A -55 )
GLY( 10 A -54 )
PRO( 10 A -53 )
SER( 10 A -52 )
SER( 10 A -51 )
ARG( 10 A -50 )
GLU( 10 A -49 )
GLU( 10 A -48 )
VAL( 10 A -47 )
GLN( 10 A -46 )
LYS( 10 A -45 )
TYR( 10 A -44 )
PHE( 10 A -43 )
SER( 10 A -42 )
ILE( 10 A -41 )
VAL( 10 A -40 )
SER( 10 A -39 )
SER( 10 A -38 )
GLY( 10 A -37 )
GLY( 10 A -36 )
LEU( 10 A -35 )
PRO( 10 A -34 )
ALA( 10 A -33 )
LEU( 10 A -32 )
VAL( 10 A -31 )
ASP( 10 A -30 )
ALA( 10 A -29 )
LEU( 10 A -28 )
VAL( 10 A -27 )
ASP( 10 A -26 )
SER( 10 A -25 )
GLN( 10 A -24 )
GLU( 10 A -23 )
TYR( 10 A -22 )
ALA( 10 A -21 )
ASP( 10 A -20 )
TYR( 10 A -19 )
PHE( 10 A -18 )
GLY( 10 A -17 )
GLU( 10 A -16 )
GLU( 10 A -15 )
THR( 10 A -14 )
VAL( 10 A -13 )
PRO( 10 A -12 )
TYR( 10 A -11 )
LEU( 10 A -10 )
ARG( 10 A -9 )
GLY( 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 )
PRO( 11 A-154 )
GLN( 11 A-153 )
SER( 11 A-152 )
TYR( 11 A-151 )
PHE( 11 A-150 )
ASN( 11 A-149 )
ALA( 11 A-148 )
ALA( 11 A-147 )
ALA( 11 A-146 )
LYS( 11 A-145 )
ARG( 11 A-144 )
GLN( 11 A-143 )
LYS( 11 A-142 )
TYR( 11 A-141 )
ALA( 11 A-140 )
MET( 11 A-139 )
LYS( 11 A-138 )
PRO( 11 A-137 )
GLY( 11 A-136 )
LEU( 11 A-135 )
SER( 11 A-134 )
ALA( 11 A-133 )
LEU( 11 A-132 )
GLU( 11 A-131 )
LYS( 11 A-130 )
ASN( 11 A-129 )
ALA( 11 A-128 )
VAL( 11 A-127 )
ILE( 11 A-126 )
LYS( 11 A-125 )
ALA( 11 A-124 )
ALA( 11 A-123 )
TYR( 11 A-122 )
ARG( 11 A-121 )
GLN( 11 A-120 )
ILE( 11 A-119 )
PHE( 11 A-118 )
GLU( 11 A-117 )
ARG( 11 A-116 )
ASP( 11 A-115 )
ILE( 11 A-114 )
THR( 11 A-113 )
LYS( 11 A-112 )
ALA( 11 A-111 )
TYR( 11 A-110 )
SER( 11 A-109 )
GLN( 11 A-108 )
SER( 11 A-107 )
ILE( 11 A-106 )
SER( 11 A-105 )
TYR( 11 A-104 )
LEU( 11 A-103 )
GLU( 11 A-102 )
SER( 11 A-101 )
GLN( 11 A-100 )
VAL( 11 A -99 )
ARG( 11 A -98 )
ASN( 11 A -97 )
GLY( 11 A -96 )
ASP( 11 A -95 )
ILE( 11 A -94 )
SER( 11 A -93 )
MET( 11 A -92 )
LYS( 11 A -91 )
GLU( 11 A -90 )
PHE( 11 A -89 )
VAL( 11 A -88 )
ARG( 11 A -87 )
ARG( 11 A -86 )
LEU( 11 A -85 )
ALA( 11 A -84 )
LYS( 11 A -83 )
SER( 11 A -82 )
PRO( 11 A -81 )
LEU( 11 A -80 )
TYR( 11 A -79 )
ARG( 11 A -78 )
LYS( 11 A -77 )
GLN( 11 A -76 )
PHE( 11 A -75 )
PHE( 11 A -74 )
GLU( 11 A -73 )
PRO( 11 A -72 )
PHE( 11 A -71 )
ILE( 11 A -70 )
ASN( 11 A -69 )
SER( 11 A -68 )
ARG( 11 A -67 )
ALA( 11 A -66 )
LEU( 11 A -65 )
GLU( 11 A -64 )
LEU( 11 A -63 )
ALA( 11 A -62 )
PHE( 11 A -61 )
ARG( 11 A -60 )
HIS( 11 A -59 )
ILE( 11 A -58 )
LEU( 11 A -57 )
GLY( 11 A -56 )
ARG( 11 A -55 )
GLY( 11 A -54 )
PRO( 11 A -53 )
SER( 11 A -52 )
SER( 11 A -51 )
ARG( 11 A -50 )
GLU( 11 A -49 )
GLU( 11 A -48 )
VAL( 11 A -47 )
GLN( 11 A -46 )
LYS( 11 A -45 )
TYR( 11 A -44 )
PHE( 11 A -43 )
SER( 11 A -42 )
ILE( 11 A -41 )
VAL( 11 A -40 )
SER( 11 A -39 )
SER( 11 A -38 )
GLY( 11 A -37 )
GLY( 11 A -36 )
LEU( 11 A -35 )
PRO( 11 A -34 )
ALA( 11 A -33 )
LEU( 11 A -32 )
VAL( 11 A -31 )
ASP( 11 A -30 )
ALA( 11 A -29 )
LEU( 11 A -28 )
VAL( 11 A -27 )
ASP( 11 A -26 )
SER( 11 A -25 )
GLN( 11 A -24 )
GLU( 11 A -23 )
TYR( 11 A -22 )
ALA( 11 A -21 )
ASP( 11 A -20 )
TYR( 11 A -19 )
PHE( 11 A -18 )
GLY( 11 A -17 )
GLU( 11 A -16 )
GLU( 11 A -15 )
THR( 11 A -14 )
VAL( 11 A -13 )
PRO( 11 A -12 )
TYR( 11 A -11 )
LEU( 11 A -10 )
ARG( 11 A -9 )
GLY( 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 )
PRO( 12 A-154 )
GLN( 12 A-153 )
SER( 12 A-152 )
TYR( 12 A-151 )
PHE( 12 A-150 )
ASN( 12 A-149 )
ALA( 12 A-148 )
ALA( 12 A-147 )
ALA( 12 A-146 )
LYS( 12 A-145 )
ARG( 12 A-144 )
GLN( 12 A-143 )
LYS( 12 A-142 )
TYR( 12 A-141 )
ALA( 12 A-140 )
MET( 12 A-139 )
LYS( 12 A-138 )
PRO( 12 A-137 )
GLY( 12 A-136 )
LEU( 12 A-135 )
SER( 12 A-134 )
ALA( 12 A-133 )
LEU( 12 A-132 )
GLU( 12 A-131 )
LYS( 12 A-130 )
ASN( 12 A-129 )
ALA( 12 A-128 )
VAL( 12 A-127 )
ILE( 12 A-126 )
LYS( 12 A-125 )
ALA( 12 A-124 )
ALA( 12 A-123 )
TYR( 12 A-122 )
ARG( 12 A-121 )
GLN( 12 A-120 )
ILE( 12 A-119 )
PHE( 12 A-118 )
GLU( 12 A-117 )
ARG( 12 A-116 )
ASP( 12 A-115 )
ILE( 12 A-114 )
THR( 12 A-113 )
LYS( 12 A-112 )
ALA( 12 A-111 )
TYR( 12 A-110 )
SER( 12 A-109 )
GLN( 12 A-108 )
SER( 12 A-107 )
ILE( 12 A-106 )
SER( 12 A-105 )
TYR( 12 A-104 )
LEU( 12 A-103 )
GLU( 12 A-102 )
SER( 12 A-101 )
GLN( 12 A-100 )
VAL( 12 A -99 )
ARG( 12 A -98 )
ASN( 12 A -97 )
GLY( 12 A -96 )
ASP( 12 A -95 )
ILE( 12 A -94 )
SER( 12 A -93 )
MET( 12 A -92 )
LYS( 12 A -91 )
GLU( 12 A -90 )
PHE( 12 A -89 )
VAL( 12 A -88 )
ARG( 12 A -87 )
ARG( 12 A -86 )
LEU( 12 A -85 )
ALA( 12 A -84 )
LYS( 12 A -83 )
SER( 12 A -82 )
PRO( 12 A -81 )
LEU( 12 A -80 )
TYR( 12 A -79 )
ARG( 12 A -78 )
LYS( 12 A -77 )
GLN( 12 A -76 )
PHE( 12 A -75 )
PHE( 12 A -74 )
GLU( 12 A -73 )
PRO( 12 A -72 )
PHE( 12 A -71 )
ILE( 12 A -70 )
ASN( 12 A -69 )
SER( 12 A -68 )
ARG( 12 A -67 )
ALA( 12 A -66 )
LEU( 12 A -65 )
GLU( 12 A -64 )
LEU( 12 A -63 )
ALA( 12 A -62 )
PHE( 12 A -61 )
ARG( 12 A -60 )
HIS( 12 A -59 )
ILE( 12 A -58 )
LEU( 12 A -57 )
GLY( 12 A -56 )
ARG( 12 A -55 )
GLY( 12 A -54 )
PRO( 12 A -53 )
SER( 12 A -52 )
SER( 12 A -51 )
ARG( 12 A -50 )
GLU( 12 A -49 )
GLU( 12 A -48 )
VAL( 12 A -47 )
GLN( 12 A -46 )
LYS( 12 A -45 )
TYR( 12 A -44 )
PHE( 12 A -43 )
SER( 12 A -42 )
ILE( 12 A -41 )
VAL( 12 A -40 )
SER( 12 A -39 )
SER( 12 A -38 )
GLY( 12 A -37 )
GLY( 12 A -36 )
LEU( 12 A -35 )
PRO( 12 A -34 )
ALA( 12 A -33 )
LEU( 12 A -32 )
VAL( 12 A -31 )
ASP( 12 A -30 )
ALA( 12 A -29 )
LEU( 12 A -28 )
VAL( 12 A -27 )
ASP( 12 A -26 )
SER( 12 A -25 )
GLN( 12 A -24 )
GLU( 12 A -23 )
TYR( 12 A -22 )
ALA( 12 A -21 )
ASP( 12 A -20 )
TYR( 12 A -19 )
PHE( 12 A -18 )
GLY( 12 A -17 )
GLU( 12 A -16 )
GLU( 12 A -15 )
THR( 12 A -14 )
VAL( 12 A -13 )
PRO( 12 A -12 )
TYR( 12 A -11 )
LEU( 12 A -10 )
ARG( 12 A -9 )
GLY( 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 )
PRO( 13 A-154 )
GLN( 13 A-153 )
SER( 13 A-152 )
TYR( 13 A-151 )
PHE( 13 A-150 )
ASN( 13 A-149 )
ALA( 13 A-148 )
ALA( 13 A-147 )
ALA( 13 A-146 )
LYS( 13 A-145 )
ARG( 13 A-144 )
GLN( 13 A-143 )
LYS( 13 A-142 )
TYR( 13 A-141 )
ALA( 13 A-140 )
MET( 13 A-139 )
LYS( 13 A-138 )
PRO( 13 A-137 )
GLY( 13 A-136 )
LEU( 13 A-135 )
SER( 13 A-134 )
ALA( 13 A-133 )
LEU( 13 A-132 )
GLU( 13 A-131 )
LYS( 13 A-130 )
ASN( 13 A-129 )
ALA( 13 A-128 )
VAL( 13 A-127 )
ILE( 13 A-126 )
LYS( 13 A-125 )
ALA( 13 A-124 )
ALA( 13 A-123 )
TYR( 13 A-122 )
ARG( 13 A-121 )
GLN( 13 A-120 )
ILE( 13 A-119 )
PHE( 13 A-118 )
GLU( 13 A-117 )
ARG( 13 A-116 )
ASP( 13 A-115 )
ILE( 13 A-114 )
THR( 13 A-113 )
LYS( 13 A-112 )
ALA( 13 A-111 )
TYR( 13 A-110 )
SER( 13 A-109 )
GLN( 13 A-108 )
SER( 13 A-107 )
ILE( 13 A-106 )
SER( 13 A-105 )
TYR( 13 A-104 )
LEU( 13 A-103 )
GLU( 13 A-102 )
SER( 13 A-101 )
GLN( 13 A-100 )
VAL( 13 A -99 )
ARG( 13 A -98 )
ASN( 13 A -97 )
GLY( 13 A -96 )
ASP( 13 A -95 )
ILE( 13 A -94 )
SER( 13 A -93 )
MET( 13 A -92 )
LYS( 13 A -91 )
GLU( 13 A -90 )
PHE( 13 A -89 )
VAL( 13 A -88 )
ARG( 13 A -87 )
ARG( 13 A -86 )
LEU( 13 A -85 )
ALA( 13 A -84 )
LYS( 13 A -83 )
SER( 13 A -82 )
PRO( 13 A -81 )
LEU( 13 A -80 )
TYR( 13 A -79 )
ARG( 13 A -78 )
LYS( 13 A -77 )
GLN( 13 A -76 )
PHE( 13 A -75 )
PHE( 13 A -74 )
GLU( 13 A -73 )
PRO( 13 A -72 )
PHE( 13 A -71 )
ILE( 13 A -70 )
ASN( 13 A -69 )
SER( 13 A -68 )
ARG( 13 A -67 )
ALA( 13 A -66 )
LEU( 13 A -65 )
GLU( 13 A -64 )
LEU( 13 A -63 )
ALA( 13 A -62 )
PHE( 13 A -61 )
ARG( 13 A -60 )
HIS( 13 A -59 )
ILE( 13 A -58 )
LEU( 13 A -57 )
GLY( 13 A -56 )
ARG( 13 A -55 )
GLY( 13 A -54 )
PRO( 13 A -53 )
SER( 13 A -52 )
SER( 13 A -51 )
ARG( 13 A -50 )
GLU( 13 A -49 )
GLU( 13 A -48 )
VAL( 13 A -47 )
GLN( 13 A -46 )
LYS( 13 A -45 )
TYR( 13 A -44 )
PHE( 13 A -43 )
SER( 13 A -42 )
ILE( 13 A -41 )
VAL( 13 A -40 )
SER( 13 A -39 )
SER( 13 A -38 )
GLY( 13 A -37 )
GLY( 13 A -36 )
LEU( 13 A -35 )
PRO( 13 A -34 )
ALA( 13 A -33 )
LEU( 13 A -32 )
VAL( 13 A -31 )
ASP( 13 A -30 )
ALA( 13 A -29 )
LEU( 13 A -28 )
VAL( 13 A -27 )
ASP( 13 A -26 )
SER( 13 A -25 )
GLN( 13 A -24 )
GLU( 13 A -23 )
TYR( 13 A -22 )
ALA( 13 A -21 )
ASP( 13 A -20 )
TYR( 13 A -19 )
PHE( 13 A -18 )
GLY( 13 A -17 )
GLU( 13 A -16 )
GLU( 13 A -15 )
THR( 13 A -14 )
VAL( 13 A -13 )
PRO( 13 A -12 )
TYR( 13 A -11 )
LEU( 13 A -10 )
ARG( 13 A -9 )
GLY( 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 )
PRO( 14 A-154 )
GLN( 14 A-153 )
SER( 14 A-152 )
TYR( 14 A-151 )
PHE( 14 A-150 )
ASN( 14 A-149 )
ALA( 14 A-148 )
ALA( 14 A-147 )
ALA( 14 A-146 )
LYS( 14 A-145 )
ARG( 14 A-144 )
GLN( 14 A-143 )
LYS( 14 A-142 )
TYR( 14 A-141 )
ALA( 14 A-140 )
MET( 14 A-139 )
LYS( 14 A-138 )
PRO( 14 A-137 )
GLY( 14 A-136 )
LEU( 14 A-135 )
SER( 14 A-134 )
ALA( 14 A-133 )
LEU( 14 A-132 )
GLU( 14 A-131 )
LYS( 14 A-130 )
ASN( 14 A-129 )
ALA( 14 A-128 )
VAL( 14 A-127 )
ILE( 14 A-126 )
LYS( 14 A-125 )
ALA( 14 A-124 )
ALA( 14 A-123 )
TYR( 14 A-122 )
ARG( 14 A-121 )
GLN( 14 A-120 )
ILE( 14 A-119 )
PHE( 14 A-118 )
GLU( 14 A-117 )
ARG( 14 A-116 )
ASP( 14 A-115 )
ILE( 14 A-114 )
THR( 14 A-113 )
LYS( 14 A-112 )
ALA( 14 A-111 )
TYR( 14 A-110 )
SER( 14 A-109 )
GLN( 14 A-108 )
SER( 14 A-107 )
ILE( 14 A-106 )
SER( 14 A-105 )
TYR( 14 A-104 )
LEU( 14 A-103 )
GLU( 14 A-102 )
SER( 14 A-101 )
GLN( 14 A-100 )
VAL( 14 A -99 )
ARG( 14 A -98 )
ASN( 14 A -97 )
GLY( 14 A -96 )
ASP( 14 A -95 )
ILE( 14 A -94 )
SER( 14 A -93 )
MET( 14 A -92 )
LYS( 14 A -91 )
GLU( 14 A -90 )
PHE( 14 A -89 )
VAL( 14 A -88 )
ARG( 14 A -87 )
ARG( 14 A -86 )
LEU( 14 A -85 )
ALA( 14 A -84 )
LYS( 14 A -83 )
SER( 14 A -82 )
PRO( 14 A -81 )
LEU( 14 A -80 )
TYR( 14 A -79 )
ARG( 14 A -78 )
LYS( 14 A -77 )
GLN( 14 A -76 )
PHE( 14 A -75 )
PHE( 14 A -74 )
GLU( 14 A -73 )
PRO( 14 A -72 )
PHE( 14 A -71 )
ILE( 14 A -70 )
ASN( 14 A -69 )
SER( 14 A -68 )
ARG( 14 A -67 )
ALA( 14 A -66 )
LEU( 14 A -65 )
GLU( 14 A -64 )
LEU( 14 A -63 )
ALA( 14 A -62 )
PHE( 14 A -61 )
ARG( 14 A -60 )
HIS( 14 A -59 )
ILE( 14 A -58 )
LEU( 14 A -57 )
GLY( 14 A -56 )
ARG( 14 A -55 )
GLY( 14 A -54 )
PRO( 14 A -53 )
SER( 14 A -52 )
SER( 14 A -51 )
ARG( 14 A -50 )
GLU( 14 A -49 )
GLU( 14 A -48 )
VAL( 14 A -47 )
GLN( 14 A -46 )
LYS( 14 A -45 )
TYR( 14 A -44 )
PHE( 14 A -43 )
SER( 14 A -42 )
ILE( 14 A -41 )
VAL( 14 A -40 )
SER( 14 A -39 )
SER( 14 A -38 )
GLY( 14 A -37 )
GLY( 14 A -36 )
LEU( 14 A -35 )
PRO( 14 A -34 )
ALA( 14 A -33 )
LEU( 14 A -32 )
VAL( 14 A -31 )
ASP( 14 A -30 )
ALA( 14 A -29 )
LEU( 14 A -28 )
VAL( 14 A -27 )
ASP( 14 A -26 )
SER( 14 A -25 )
GLN( 14 A -24 )
GLU( 14 A -23 )
TYR( 14 A -22 )
ALA( 14 A -21 )
ASP( 14 A -20 )
TYR( 14 A -19 )
PHE( 14 A -18 )
GLY( 14 A -17 )
GLU( 14 A -16 )
GLU( 14 A -15 )
THR( 14 A -14 )
VAL( 14 A -13 )
PRO( 14 A -12 )
TYR( 14 A -11 )
LEU( 14 A -10 )
ARG( 14 A -9 )
GLY( 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 )
PRO( 15 A-154 )
GLN( 15 A-153 )
SER( 15 A-152 )
TYR( 15 A-151 )
PHE( 15 A-150 )
ASN( 15 A-149 )
ALA( 15 A-148 )
ALA( 15 A-147 )
ALA( 15 A-146 )
LYS( 15 A-145 )
ARG( 15 A-144 )
GLN( 15 A-143 )
LYS( 15 A-142 )
TYR( 15 A-141 )
ALA( 15 A-140 )
MET( 15 A-139 )
LYS( 15 A-138 )
PRO( 15 A-137 )
GLY( 15 A-136 )
LEU( 15 A-135 )
SER( 15 A-134 )
ALA( 15 A-133 )
LEU( 15 A-132 )
GLU( 15 A-131 )
LYS( 15 A-130 )
ASN( 15 A-129 )
ALA( 15 A-128 )
VAL( 15 A-127 )
ILE( 15 A-126 )
LYS( 15 A-125 )
ALA( 15 A-124 )
ALA( 15 A-123 )
TYR( 15 A-122 )
ARG( 15 A-121 )
GLN( 15 A-120 )
ILE( 15 A-119 )
PHE( 15 A-118 )
GLU( 15 A-117 )
ARG( 15 A-116 )
ASP( 15 A-115 )
ILE( 15 A-114 )
THR( 15 A-113 )
LYS( 15 A-112 )
ALA( 15 A-111 )
TYR( 15 A-110 )
SER( 15 A-109 )
GLN( 15 A-108 )
SER( 15 A-107 )
ILE( 15 A-106 )
SER( 15 A-105 )
TYR( 15 A-104 )
LEU( 15 A-103 )
GLU( 15 A-102 )
SER( 15 A-101 )
GLN( 15 A-100 )
VAL( 15 A -99 )
ARG( 15 A -98 )
ASN( 15 A -97 )
GLY( 15 A -96 )
ASP( 15 A -95 )
ILE( 15 A -94 )
SER( 15 A -93 )
MET( 15 A -92 )
LYS( 15 A -91 )
GLU( 15 A -90 )
PHE( 15 A -89 )
VAL( 15 A -88 )
ARG( 15 A -87 )
ARG( 15 A -86 )
LEU( 15 A -85 )
ALA( 15 A -84 )
LYS( 15 A -83 )
SER( 15 A -82 )
PRO( 15 A -81 )
LEU( 15 A -80 )
TYR( 15 A -79 )
ARG( 15 A -78 )
LYS( 15 A -77 )
GLN( 15 A -76 )
PHE( 15 A -75 )
PHE( 15 A -74 )
GLU( 15 A -73 )
PRO( 15 A -72 )
PHE( 15 A -71 )
ILE( 15 A -70 )
ASN( 15 A -69 )
SER( 15 A -68 )
ARG( 15 A -67 )
ALA( 15 A -66 )
LEU( 15 A -65 )
GLU( 15 A -64 )
LEU( 15 A -63 )
ALA( 15 A -62 )
PHE( 15 A -61 )
ARG( 15 A -60 )
HIS( 15 A -59 )
ILE( 15 A -58 )
LEU( 15 A -57 )
GLY( 15 A -56 )
ARG( 15 A -55 )
GLY( 15 A -54 )
PRO( 15 A -53 )
SER( 15 A -52 )
SER( 15 A -51 )
ARG( 15 A -50 )
GLU( 15 A -49 )
GLU( 15 A -48 )
VAL( 15 A -47 )
GLN( 15 A -46 )
LYS( 15 A -45 )
TYR( 15 A -44 )
PHE( 15 A -43 )
SER( 15 A -42 )
ILE( 15 A -41 )
VAL( 15 A -40 )
SER( 15 A -39 )
SER( 15 A -38 )
GLY( 15 A -37 )
GLY( 15 A -36 )
LEU( 15 A -35 )
PRO( 15 A -34 )
ALA( 15 A -33 )
LEU( 15 A -32 )
VAL( 15 A -31 )
ASP( 15 A -30 )
ALA( 15 A -29 )
LEU( 15 A -28 )
VAL( 15 A -27 )
ASP( 15 A -26 )
SER( 15 A -25 )
GLN( 15 A -24 )
GLU( 15 A -23 )
TYR( 15 A -22 )
ALA( 15 A -21 )
ASP( 15 A -20 )
TYR( 15 A -19 )
PHE( 15 A -18 )
GLY( 15 A -17 )
GLU( 15 A -16 )
GLU( 15 A -15 )
THR( 15 A -14 )
VAL( 15 A -13 )
PRO( 15 A -12 )
TYR( 15 A -11 )
LEU( 15 A -10 )
ARG( 15 A -9 )
GLY( 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 )
PRO( 16 A-154 )
GLN( 16 A-153 )
SER( 16 A-152 )
TYR( 16 A-151 )
PHE( 16 A-150 )
ASN( 16 A-149 )
ALA( 16 A-148 )
ALA( 16 A-147 )
ALA( 16 A-146 )
LYS( 16 A-145 )
ARG( 16 A-144 )
GLN( 16 A-143 )
LYS( 16 A-142 )
TYR( 16 A-141 )
ALA( 16 A-140 )
MET( 16 A-139 )
LYS( 16 A-138 )
PRO( 16 A-137 )
GLY( 16 A-136 )
LEU( 16 A-135 )
SER( 16 A-134 )
ALA( 16 A-133 )
LEU( 16 A-132 )
GLU( 16 A-131 )
LYS( 16 A-130 )
ASN( 16 A-129 )
ALA( 16 A-128 )
VAL( 16 A-127 )
ILE( 16 A-126 )
LYS( 16 A-125 )
ALA( 16 A-124 )
ALA( 16 A-123 )
TYR( 16 A-122 )
ARG( 16 A-121 )
GLN( 16 A-120 )
ILE( 16 A-119 )
PHE( 16 A-118 )
GLU( 16 A-117 )
ARG( 16 A-116 )
ASP( 16 A-115 )
ILE( 16 A-114 )
THR( 16 A-113 )
LYS( 16 A-112 )
ALA( 16 A-111 )
TYR( 16 A-110 )
SER( 16 A-109 )
GLN( 16 A-108 )
SER( 16 A-107 )
ILE( 16 A-106 )
SER( 16 A-105 )
TYR( 16 A-104 )
LEU( 16 A-103 )
GLU( 16 A-102 )
SER( 16 A-101 )
GLN( 16 A-100 )
VAL( 16 A -99 )
ARG( 16 A -98 )
ASN( 16 A -97 )
GLY( 16 A -96 )
ASP( 16 A -95 )
ILE( 16 A -94 )
SER( 16 A -93 )
MET( 16 A -92 )
LYS( 16 A -91 )
GLU( 16 A -90 )
PHE( 16 A -89 )
VAL( 16 A -88 )
ARG( 16 A -87 )
ARG( 16 A -86 )
LEU( 16 A -85 )
ALA( 16 A -84 )
LYS( 16 A -83 )
SER( 16 A -82 )
PRO( 16 A -81 )
LEU( 16 A -80 )
TYR( 16 A -79 )
ARG( 16 A -78 )
LYS( 16 A -77 )
GLN( 16 A -76 )
PHE( 16 A -75 )
PHE( 16 A -74 )
GLU( 16 A -73 )
PRO( 16 A -72 )
PHE( 16 A -71 )
ILE( 16 A -70 )
ASN( 16 A -69 )
SER( 16 A -68 )
ARG( 16 A -67 )
ALA( 16 A -66 )
LEU( 16 A -65 )
GLU( 16 A -64 )
LEU( 16 A -63 )
ALA( 16 A -62 )
PHE( 16 A -61 )
ARG( 16 A -60 )
HIS( 16 A -59 )
ILE( 16 A -58 )
LEU( 16 A -57 )
GLY( 16 A -56 )
ARG( 16 A -55 )
GLY( 16 A -54 )
PRO( 16 A -53 )
SER( 16 A -52 )
SER( 16 A -51 )
ARG( 16 A -50 )
GLU( 16 A -49 )
GLU( 16 A -48 )
VAL( 16 A -47 )
GLN( 16 A -46 )
LYS( 16 A -45 )
TYR( 16 A -44 )
PHE( 16 A -43 )
SER( 16 A -42 )
ILE( 16 A -41 )
VAL( 16 A -40 )
SER( 16 A -39 )
SER( 16 A -38 )
GLY( 16 A -37 )
GLY( 16 A -36 )
LEU( 16 A -35 )
PRO( 16 A -34 )
ALA( 16 A -33 )
LEU( 16 A -32 )
VAL( 16 A -31 )
ASP( 16 A -30 )
ALA( 16 A -29 )
LEU( 16 A -28 )
VAL( 16 A -27 )
ASP( 16 A -26 )
SER( 16 A -25 )
GLN( 16 A -24 )
GLU( 16 A -23 )
TYR( 16 A -22 )
ALA( 16 A -21 )
ASP( 16 A -20 )
TYR( 16 A -19 )
PHE( 16 A -18 )
GLY( 16 A -17 )
GLU( 16 A -16 )
GLU( 16 A -15 )
THR( 16 A -14 )
VAL( 16 A -13 )
PRO( 16 A -12 )
TYR( 16 A -11 )
LEU( 16 A -10 )
ARG( 16 A -9 )
GLY( 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 )
PRO( 17 A-154 )
GLN( 17 A-153 )
SER( 17 A-152 )
TYR( 17 A-151 )
PHE( 17 A-150 )
ASN( 17 A-149 )
ALA( 17 A-148 )
ALA( 17 A-147 )
ALA( 17 A-146 )
LYS( 17 A-145 )
ARG( 17 A-144 )
GLN( 17 A-143 )
LYS( 17 A-142 )
TYR( 17 A-141 )
ALA( 17 A-140 )
MET( 17 A-139 )
LYS( 17 A-138 )
PRO( 17 A-137 )
GLY( 17 A-136 )
LEU( 17 A-135 )
SER( 17 A-134 )
ALA( 17 A-133 )
LEU( 17 A-132 )
GLU( 17 A-131 )
LYS( 17 A-130 )
ASN( 17 A-129 )
ALA( 17 A-128 )
VAL( 17 A-127 )
ILE( 17 A-126 )
LYS( 17 A-125 )
ALA( 17 A-124 )
ALA( 17 A-123 )
TYR( 17 A-122 )
ARG( 17 A-121 )
GLN( 17 A-120 )
ILE( 17 A-119 )
PHE( 17 A-118 )
GLU( 17 A-117 )
ARG( 17 A-116 )
ASP( 17 A-115 )
ILE( 17 A-114 )
THR( 17 A-113 )
LYS( 17 A-112 )
ALA( 17 A-111 )
TYR( 17 A-110 )
SER( 17 A-109 )
GLN( 17 A-108 )
SER( 17 A-107 )
ILE( 17 A-106 )
SER( 17 A-105 )
TYR( 17 A-104 )
LEU( 17 A-103 )
GLU( 17 A-102 )
SER( 17 A-101 )
GLN( 17 A-100 )
VAL( 17 A -99 )
ARG( 17 A -98 )
ASN( 17 A -97 )
GLY( 17 A -96 )
ASP( 17 A -95 )
ILE( 17 A -94 )
SER( 17 A -93 )
MET( 17 A -92 )
LYS( 17 A -91 )
GLU( 17 A -90 )
PHE( 17 A -89 )
VAL( 17 A -88 )
ARG( 17 A -87 )
ARG( 17 A -86 )
LEU( 17 A -85 )
ALA( 17 A -84 )
LYS( 17 A -83 )
SER( 17 A -82 )
PRO( 17 A -81 )
LEU( 17 A -80 )
TYR( 17 A -79 )
ARG( 17 A -78 )
LYS( 17 A -77 )
GLN( 17 A -76 )
PHE( 17 A -75 )
PHE( 17 A -74 )
GLU( 17 A -73 )
PRO( 17 A -72 )
PHE( 17 A -71 )
ILE( 17 A -70 )
ASN( 17 A -69 )
SER( 17 A -68 )
ARG( 17 A -67 )
ALA( 17 A -66 )
LEU( 17 A -65 )
GLU( 17 A -64 )
LEU( 17 A -63 )
ALA( 17 A -62 )
PHE( 17 A -61 )
ARG( 17 A -60 )
HIS( 17 A -59 )
ILE( 17 A -58 )
LEU( 17 A -57 )
GLY( 17 A -56 )
ARG( 17 A -55 )
GLY( 17 A -54 )
PRO( 17 A -53 )
SER( 17 A -52 )
SER( 17 A -51 )
ARG( 17 A -50 )
GLU( 17 A -49 )
GLU( 17 A -48 )
VAL( 17 A -47 )
GLN( 17 A -46 )
LYS( 17 A -45 )
TYR( 17 A -44 )
PHE( 17 A -43 )
SER( 17 A -42 )
ILE( 17 A -41 )
VAL( 17 A -40 )
SER( 17 A -39 )
SER( 17 A -38 )
GLY( 17 A -37 )
GLY( 17 A -36 )
LEU( 17 A -35 )
PRO( 17 A -34 )
ALA( 17 A -33 )
LEU( 17 A -32 )
VAL( 17 A -31 )
ASP( 17 A -30 )
ALA( 17 A -29 )
LEU( 17 A -28 )
VAL( 17 A -27 )
ASP( 17 A -26 )
SER( 17 A -25 )
GLN( 17 A -24 )
GLU( 17 A -23 )
TYR( 17 A -22 )
ALA( 17 A -21 )
ASP( 17 A -20 )
TYR( 17 A -19 )
PHE( 17 A -18 )
GLY( 17 A -17 )
GLU( 17 A -16 )
GLU( 17 A -15 )
THR( 17 A -14 )
VAL( 17 A -13 )
PRO( 17 A -12 )
TYR( 17 A -11 )
LEU( 17 A -10 )
ARG( 17 A -9 )
GLY( 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 )
PRO( 18 A-154 )
GLN( 18 A-153 )
SER( 18 A-152 )
TYR( 18 A-151 )
PHE( 18 A-150 )
ASN( 18 A-149 )
ALA( 18 A-148 )
ALA( 18 A-147 )
ALA( 18 A-146 )
LYS( 18 A-145 )
ARG( 18 A-144 )
GLN( 18 A-143 )
LYS( 18 A-142 )
TYR( 18 A-141 )
ALA( 18 A-140 )
MET( 18 A-139 )
LYS( 18 A-138 )
PRO( 18 A-137 )
GLY( 18 A-136 )
LEU( 18 A-135 )
SER( 18 A-134 )
ALA( 18 A-133 )
LEU( 18 A-132 )
GLU( 18 A-131 )
LYS( 18 A-130 )
ASN( 18 A-129 )
ALA( 18 A-128 )
VAL( 18 A-127 )
ILE( 18 A-126 )
LYS( 18 A-125 )
ALA( 18 A-124 )
ALA( 18 A-123 )
TYR( 18 A-122 )
ARG( 18 A-121 )
GLN( 18 A-120 )
ILE( 18 A-119 )
PHE( 18 A-118 )
GLU( 18 A-117 )
ARG( 18 A-116 )
ASP( 18 A-115 )
ILE( 18 A-114 )
THR( 18 A-113 )
LYS( 18 A-112 )
ALA( 18 A-111 )
TYR( 18 A-110 )
SER( 18 A-109 )
GLN( 18 A-108 )
SER( 18 A-107 )
ILE( 18 A-106 )
SER( 18 A-105 )
TYR( 18 A-104 )
LEU( 18 A-103 )
GLU( 18 A-102 )
SER( 18 A-101 )
GLN( 18 A-100 )
VAL( 18 A -99 )
ARG( 18 A -98 )
ASN( 18 A -97 )
GLY( 18 A -96 )
ASP( 18 A -95 )
ILE( 18 A -94 )
SER( 18 A -93 )
MET( 18 A -92 )
LYS( 18 A -91 )
GLU( 18 A -90 )
PHE( 18 A -89 )
VAL( 18 A -88 )
ARG( 18 A -87 )
ARG( 18 A -86 )
LEU( 18 A -85 )
ALA( 18 A -84 )
LYS( 18 A -83 )
SER( 18 A -82 )
PRO( 18 A -81 )
LEU( 18 A -80 )
TYR( 18 A -79 )
ARG( 18 A -78 )
LYS( 18 A -77 )
GLN( 18 A -76 )
PHE( 18 A -75 )
PHE( 18 A -74 )
GLU( 18 A -73 )
PRO( 18 A -72 )
PHE( 18 A -71 )
ILE( 18 A -70 )
ASN( 18 A -69 )
SER( 18 A -68 )
ARG( 18 A -67 )
ALA( 18 A -66 )
LEU( 18 A -65 )
GLU( 18 A -64 )
LEU( 18 A -63 )
ALA( 18 A -62 )
PHE( 18 A -61 )
ARG( 18 A -60 )
HIS( 18 A -59 )
ILE( 18 A -58 )
LEU( 18 A -57 )
GLY( 18 A -56 )
ARG( 18 A -55 )
GLY( 18 A -54 )
PRO( 18 A -53 )
SER( 18 A -52 )
SER( 18 A -51 )
ARG( 18 A -50 )
GLU( 18 A -49 )
GLU( 18 A -48 )
VAL( 18 A -47 )
GLN( 18 A -46 )
LYS( 18 A -45 )
TYR( 18 A -44 )
PHE( 18 A -43 )
SER( 18 A -42 )
ILE( 18 A -41 )
VAL( 18 A -40 )
SER( 18 A -39 )
SER( 18 A -38 )
GLY( 18 A -37 )
GLY( 18 A -36 )
LEU( 18 A -35 )
PRO( 18 A -34 )
ALA( 18 A -33 )
LEU( 18 A -32 )
VAL( 18 A -31 )
ASP( 18 A -30 )
ALA( 18 A -29 )
LEU( 18 A -28 )
VAL( 18 A -27 )
ASP( 18 A -26 )
SER( 18 A -25 )
GLN( 18 A -24 )
GLU( 18 A -23 )
TYR( 18 A -22 )
ALA( 18 A -21 )
ASP( 18 A -20 )
TYR( 18 A -19 )
PHE( 18 A -18 )
GLY( 18 A -17 )
GLU( 18 A -16 )
GLU( 18 A -15 )
THR( 18 A -14 )
VAL( 18 A -13 )
PRO( 18 A -12 )
TYR( 18 A -11 )
LEU( 18 A -10 )
ARG( 18 A -9 )
GLY( 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 )
PRO( 19 A-154 )
GLN( 19 A-153 )
SER( 19 A-152 )
TYR( 19 A-151 )
PHE( 19 A-150 )
ASN( 19 A-149 )
ALA( 19 A-148 )
ALA( 19 A-147 )
ALA( 19 A-146 )
LYS( 19 A-145 )
ARG( 19 A-144 )
GLN( 19 A-143 )
LYS( 19 A-142 )
TYR( 19 A-141 )
ALA( 19 A-140 )
MET( 19 A-139 )
LYS( 19 A-138 )
PRO( 19 A-137 )
GLY( 19 A-136 )
LEU( 19 A-135 )
SER( 19 A-134 )
ALA( 19 A-133 )
LEU( 19 A-132 )
GLU( 19 A-131 )
LYS( 19 A-130 )
ASN( 19 A-129 )
ALA( 19 A-128 )
VAL( 19 A-127 )
ILE( 19 A-126 )
LYS( 19 A-125 )
ALA( 19 A-124 )
ALA( 19 A-123 )
TYR( 19 A-122 )
ARG( 19 A-121 )
GLN( 19 A-120 )
ILE( 19 A-119 )
PHE( 19 A-118 )
GLU( 19 A-117 )
ARG( 19 A-116 )
ASP( 19 A-115 )
ILE( 19 A-114 )
THR( 19 A-113 )
LYS( 19 A-112 )
ALA( 19 A-111 )
TYR( 19 A-110 )
SER( 19 A-109 )
GLN( 19 A-108 )
SER( 19 A-107 )
ILE( 19 A-106 )
SER( 19 A-105 )
TYR( 19 A-104 )
LEU( 19 A-103 )
GLU( 19 A-102 )
SER( 19 A-101 )
GLN( 19 A-100 )
VAL( 19 A -99 )
ARG( 19 A -98 )
ASN( 19 A -97 )
GLY( 19 A -96 )
ASP( 19 A -95 )
ILE( 19 A -94 )
SER( 19 A -93 )
MET( 19 A -92 )
LYS( 19 A -91 )
GLU( 19 A -90 )
PHE( 19 A -89 )
VAL( 19 A -88 )
ARG( 19 A -87 )
ARG( 19 A -86 )
LEU( 19 A -85 )
ALA( 19 A -84 )
LYS( 19 A -83 )
SER( 19 A -82 )
PRO( 19 A -81 )
LEU( 19 A -80 )
TYR( 19 A -79 )
ARG( 19 A -78 )
LYS( 19 A -77 )
GLN( 19 A -76 )
PHE( 19 A -75 )
PHE( 19 A -74 )
GLU( 19 A -73 )
PRO( 19 A -72 )
PHE( 19 A -71 )
ILE( 19 A -70 )
ASN( 19 A -69 )
SER( 19 A -68 )
ARG( 19 A -67 )
ALA( 19 A -66 )
LEU( 19 A -65 )
GLU( 19 A -64 )
LEU( 19 A -63 )
ALA( 19 A -62 )
PHE( 19 A -61 )
ARG( 19 A -60 )
HIS( 19 A -59 )
ILE( 19 A -58 )
LEU( 19 A -57 )
GLY( 19 A -56 )
ARG( 19 A -55 )
GLY( 19 A -54 )
PRO( 19 A -53 )
SER( 19 A -52 )
SER( 19 A -51 )
ARG( 19 A -50 )
GLU( 19 A -49 )
GLU( 19 A -48 )
VAL( 19 A -47 )
GLN( 19 A -46 )
LYS( 19 A -45 )
TYR( 19 A -44 )
PHE( 19 A -43 )
SER( 19 A -42 )
ILE( 19 A -41 )
VAL( 19 A -40 )
SER( 19 A -39 )
SER( 19 A -38 )
GLY( 19 A -37 )
GLY( 19 A -36 )
LEU( 19 A -35 )
PRO( 19 A -34 )
ALA( 19 A -33 )
LEU( 19 A -32 )
VAL( 19 A -31 )
ASP( 19 A -30 )
ALA( 19 A -29 )
LEU( 19 A -28 )
VAL( 19 A -27 )
ASP( 19 A -26 )
SER( 19 A -25 )
GLN( 19 A -24 )
GLU( 19 A -23 )
TYR( 19 A -22 )
ALA( 19 A -21 )
ASP( 19 A -20 )
TYR( 19 A -19 )
PHE( 19 A -18 )
GLY( 19 A -17 )
GLU( 19 A -16 )
GLU( 19 A -15 )
THR( 19 A -14 )
VAL( 19 A -13 )
PRO( 19 A -12 )
TYR( 19 A -11 )
LEU( 19 A -10 )
ARG( 19 A -9 )
GLY( 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 )
PRO( 20 A-154 )
GLN( 20 A-153 )
SER( 20 A-152 )
TYR( 20 A-151 )
PHE( 20 A-150 )
ASN( 20 A-149 )
ALA( 20 A-148 )
ALA( 20 A-147 )
ALA( 20 A-146 )
LYS( 20 A-145 )
ARG( 20 A-144 )
GLN( 20 A-143 )
LYS( 20 A-142 )
TYR( 20 A-141 )
ALA( 20 A-140 )
MET( 20 A-139 )
LYS( 20 A-138 )
PRO( 20 A-137 )
GLY( 20 A-136 )
LEU( 20 A-135 )
SER( 20 A-134 )
ALA( 20 A-133 )
LEU( 20 A-132 )
GLU( 20 A-131 )
LYS( 20 A-130 )
ASN( 20 A-129 )
ALA( 20 A-128 )
VAL( 20 A-127 )
ILE( 20 A-126 )
LYS( 20 A-125 )
ALA( 20 A-124 )
ALA( 20 A-123 )
TYR( 20 A-122 )
ARG( 20 A-121 )
GLN( 20 A-120 )
ILE( 20 A-119 )
PHE( 20 A-118 )
GLU( 20 A-117 )
ARG( 20 A-116 )
ASP( 20 A-115 )
ILE( 20 A-114 )
THR( 20 A-113 )
LYS( 20 A-112 )
ALA( 20 A-111 )
TYR( 20 A-110 )
SER( 20 A-109 )
GLN( 20 A-108 )
SER( 20 A-107 )
ILE( 20 A-106 )
SER( 20 A-105 )
TYR( 20 A-104 )
LEU( 20 A-103 )
GLU( 20 A-102 )
SER( 20 A-101 )
GLN( 20 A-100 )
VAL( 20 A -99 )
ARG( 20 A -98 )
ASN( 20 A -97 )
GLY( 20 A -96 )
ASP( 20 A -95 )
ILE( 20 A -94 )
SER( 20 A -93 )
MET( 20 A -92 )
LYS( 20 A -91 )
GLU( 20 A -90 )
PHE( 20 A -89 )
VAL( 20 A -88 )
ARG( 20 A -87 )
ARG( 20 A -86 )
LEU( 20 A -85 )
ALA( 20 A -84 )
LYS( 20 A -83 )
SER( 20 A -82 )
PRO( 20 A -81 )
LEU( 20 A -80 )
TYR( 20 A -79 )
ARG( 20 A -78 )
LYS( 20 A -77 )
GLN( 20 A -76 )
PHE( 20 A -75 )
PHE( 20 A -74 )
GLU( 20 A -73 )
PRO( 20 A -72 )
PHE( 20 A -71 )
ILE( 20 A -70 )
ASN( 20 A -69 )
SER( 20 A -68 )
ARG( 20 A -67 )
ALA( 20 A -66 )
LEU( 20 A -65 )
GLU( 20 A -64 )
LEU( 20 A -63 )
ALA( 20 A -62 )
PHE( 20 A -61 )
ARG( 20 A -60 )
HIS( 20 A -59 )
ILE( 20 A -58 )
LEU( 20 A -57 )
GLY( 20 A -56 )
ARG( 20 A -55 )
GLY( 20 A -54 )
PRO( 20 A -53 )
SER( 20 A -52 )
SER( 20 A -51 )
ARG( 20 A -50 )
GLU( 20 A -49 )
GLU( 20 A -48 )
VAL( 20 A -47 )
GLN( 20 A -46 )
LYS( 20 A -45 )
TYR( 20 A -44 )
PHE( 20 A -43 )
SER( 20 A -42 )
ILE( 20 A -41 )
VAL( 20 A -40 )
SER( 20 A -39 )
SER( 20 A -38 )
GLY( 20 A -37 )
GLY( 20 A -36 )
LEU( 20 A -35 )
PRO( 20 A -34 )
ALA( 20 A -33 )
LEU( 20 A -32 )
VAL( 20 A -31 )
ASP( 20 A -30 )
ALA( 20 A -29 )
LEU( 20 A -28 )
VAL( 20 A -27 )
ASP( 20 A -26 )
SER( 20 A -25 )
GLN( 20 A -24 )
GLU( 20 A -23 )
TYR( 20 A -22 )
ALA( 20 A -21 )
ASP( 20 A -20 )
TYR( 20 A -19 )
PHE( 20 A -18 )
GLY( 20 A -17 )
GLU( 20 A -16 )
GLU( 20 A -15 )
THR( 20 A -14 )
VAL( 20 A -13 )
PRO( 20 A -12 )
TYR( 20 A -11 )
LEU( 20 A -10 )
ARG( 20 A -9 )
GLY( 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: PRO GLN SER TYR PHE ASN ALA ALA ALA LYS ARG GLN LYS TYR ALA
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: MET LYS PRO GLY LEU SER ALA LEU GLU LYS ASN ALA VAL ILE LYS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: ALA ALA TYR ARG GLN ILE PHE GLU ARG ASP ILE THR LYS ALA TYR
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: SER GLN SER ILE SER TYR LEU GLU SER GLN VAL ARG ASN GLY ASP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: ILE SER MET LYS GLU PHE VAL ARG ARG LEU ALA LYS SER PRO LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: TYR ARG LYS GLN PHE PHE GLU PRO PHE ILE ASN SER ARG ALA LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: GLU LEU ALA PHE ARG HIS ILE LEU GLY ARG GLY PRO SER SER ARG
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
106 120
SEQRES: GLU GLU VAL GLN LYS TYR PHE SER ILE VAL SER SER GLY GLY LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
121 135
SEQRES: PRO ALA LEU VAL ASP ALA LEU VAL ASP SER GLN GLU TYR ALA ASP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
136 150
SEQRES: TYR PHE GLY GLU GLU THR VAL PRO TYR LEU ARG GLY LEU GLU HIS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
151 165
SEQRES: HIS HIS HIS HIS HIS PRO GLN SER TYR PHE ASN ALA ALA ALA LYS
COORDS: ... ... ... ... ... PRO GLN SER TYR PHE ASN ALA ALA ALA LYS
1 10
166 180
SEQRES: ARG GLN LYS TYR ALA MET LYS PRO GLY LEU SER ALA LEU GLU LYS
COORDS: ARG GLN LYS TYR ALA MET LYS PRO GLY LEU SER ALA LEU GLU LYS
11 25
181 195
SEQRES: ASN ALA VAL ILE LYS ALA ALA TYR ARG GLN ILE PHE GLU ARG ASP
COORDS: ASN ALA VAL ILE LYS ALA ALA TYR ARG GLN ILE PHE GLU ARG ASP
26 40
196 210
SEQRES: ILE THR LYS ALA TYR SER GLN SER ILE SER TYR LEU GLU SER GLN
COORDS: ILE THR LYS ALA TYR SER GLN SER ILE SER TYR LEU GLU SER GLN
41 55
211 225
SEQRES: VAL ARG ASN GLY ASP ILE SER MET LYS GLU PHE VAL ARG ARG LEU
COORDS: VAL ARG ASN GLY ASP ILE SER MET LYS GLU PHE VAL ARG ARG LEU
56 70
226 240
SEQRES: ALA LYS SER PRO LEU TYR ARG LYS GLN PHE PHE GLU PRO PHE ILE
COORDS: ALA LYS SER PRO LEU TYR ARG LYS GLN PHE PHE GLU PRO PHE ILE
71 85
241 255
SEQRES: ASN SER ARG ALA LEU GLU LEU ALA PHE ARG HIS ILE LEU GLY ARG
COORDS: ASN SER ARG ALA LEU GLU LEU ALA PHE ARG HIS ILE LEU GLY ARG
86 100
256 270
SEQRES: GLY PRO SER SER ARG GLU GLU VAL GLN LYS TYR PHE SER ILE VAL
COORDS: GLY PRO SER SER ARG GLU GLU VAL GLN LYS TYR PHE SER ILE VAL
101 115
271 285
SEQRES: SER SER GLY GLY LEU PRO ALA LEU VAL ASP ALA LEU VAL ASP SER
COORDS: SER SER GLY GLY LEU PRO ALA LEU VAL ASP ALA LEU VAL ASP SER
116 130
286 300
SEQRES: GLN GLU TYR ALA ASP TYR PHE GLY GLU GLU THR VAL PRO TYR LEU
COORDS: GLN GLU TYR ALA ASP TYR PHE GLY GLU GLU THR VAL PRO TYR LEU
131 145
301 310
SEQRES: ARG GLY LEU GLU HIS HIS HIS HIS HIS HIS
COORDS: ARG GLY LEU GLU HIS HIS HIS HIS HIS HIS
146 155
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 24) HE2
GLU( 1 A 38) HE2
ASP( 1 A 40) HD2
GLU( 1 A 53) HE2
ASP( 1 A 60) HD2
GLU( 1 A 65) HE2
GLU( 1 A 82) HE2
GLU( 1 A 91) HE2
GLU( 1 A 106) HE2
GLU( 1 A 107) HE2
ASP( 1 A 125) HD2
ASP( 1 A 129) HD2
GLU( 1 A 132) HE2
ASP( 1 A 135) HD2
GLU( 1 A 139) HE2
GLU( 1 A 140) HE2
GLU( 1 A 149) HE2
GLU( 2 A 24) HE2
GLU( 2 A 38) HE2
ASP( 2 A 40) HD2
GLU( 2 A 53) HE2
ASP( 2 A 60) HD2
GLU( 2 A 65) HE2
GLU( 2 A 82) HE2
GLU( 2 A 91) HE2
GLU( 2 A 106) HE2
GLU( 2 A 107) HE2
ASP( 2 A 125) HD2
ASP( 2 A 129) HD2
GLU( 2 A 132) HE2
ASP( 2 A 135) HD2
GLU( 2 A 139) HE2
GLU( 2 A 140) HE2
GLU( 2 A 149) HE2
GLU( 3 A 24) HE2
GLU( 3 A 38) HE2
ASP( 3 A 40) HD2
GLU( 3 A 53) HE2
ASP( 3 A 60) HD2
GLU( 3 A 65) HE2
GLU( 3 A 82) HE2
GLU( 3 A 91) HE2
GLU( 3 A 106) HE2
GLU( 3 A 107) HE2
ASP( 3 A 125) HD2
ASP( 3 A 129) HD2
GLU( 3 A 132) HE2
ASP( 3 A 135) HD2
GLU( 3 A 139) HE2
GLU( 3 A 140) HE2
GLU( 3 A 149) HE2
GLU( 4 A 24) HE2
GLU( 4 A 38) HE2
ASP( 4 A 40) HD2
GLU( 4 A 53) HE2
ASP( 4 A 60) HD2
GLU( 4 A 65) HE2
GLU( 4 A 82) HE2
GLU( 4 A 91) HE2
GLU( 4 A 106) HE2
GLU( 4 A 107) HE2
ASP( 4 A 125) HD2
ASP( 4 A 129) HD2
GLU( 4 A 132) HE2
ASP( 4 A 135) HD2
GLU( 4 A 139) HE2
GLU( 4 A 140) HE2
GLU( 4 A 149) HE2
GLU( 5 A 24) HE2
GLU( 5 A 38) HE2
ASP( 5 A 40) HD2
GLU( 5 A 53) HE2
ASP( 5 A 60) HD2
GLU( 5 A 65) HE2
GLU( 5 A 82) HE2
GLU( 5 A 91) HE2
GLU( 5 A 106) HE2
GLU( 5 A 107) HE2
ASP( 5 A 125) HD2
ASP( 5 A 129) HD2
GLU( 5 A 132) HE2
ASP( 5 A 135) HD2
GLU( 5 A 139) HE2
GLU( 5 A 140) HE2
GLU( 5 A 149) HE2
GLU( 6 A 24) HE2
GLU( 6 A 38) HE2
ASP( 6 A 40) HD2
GLU( 6 A 53) HE2
ASP( 6 A 60) HD2
GLU( 6 A 65) HE2
GLU( 6 A 82) HE2
GLU( 6 A 91) HE2
GLU( 6 A 106) HE2
GLU( 6 A 107) HE2
ASP( 6 A 125) HD2
ASP( 6 A 129) HD2
GLU( 6 A 132) HE2
ASP( 6 A 135) HD2
GLU( 6 A 139) HE2
GLU( 6 A 140) HE2
GLU( 6 A 149) HE2
GLU( 7 A 24) HE2
GLU( 7 A 38) HE2
ASP( 7 A 40) HD2
GLU( 7 A 53) HE2
ASP( 7 A 60) HD2
GLU( 7 A 65) HE2
GLU( 7 A 82) HE2
GLU( 7 A 91) HE2
GLU( 7 A 106) HE2
GLU( 7 A 107) HE2
ASP( 7 A 125) HD2
ASP( 7 A 129) HD2
GLU( 7 A 132) HE2
ASP( 7 A 135) HD2
GLU( 7 A 139) HE2
GLU( 7 A 140) HE2
GLU( 7 A 149) HE2
GLU( 8 A 24) HE2
GLU( 8 A 38) HE2
ASP( 8 A 40) HD2
GLU( 8 A 53) HE2
ASP( 8 A 60) HD2
GLU( 8 A 65) HE2
GLU( 8 A 82) HE2
GLU( 8 A 91) HE2
GLU( 8 A 106) HE2
GLU( 8 A 107) HE2
ASP( 8 A 125) HD2
ASP( 8 A 129) HD2
GLU( 8 A 132) HE2
ASP( 8 A 135) HD2
GLU( 8 A 139) HE2
GLU( 8 A 140) HE2
GLU( 8 A 149) HE2
GLU( 9 A 24) HE2
GLU( 9 A 38) HE2
ASP( 9 A 40) HD2
GLU( 9 A 53) HE2
ASP( 9 A 60) HD2
GLU( 9 A 65) HE2
GLU( 9 A 82) HE2
GLU( 9 A 91) HE2
GLU( 9 A 106) HE2
GLU( 9 A 107) HE2
ASP( 9 A 125) HD2
ASP( 9 A 129) HD2
GLU( 9 A 132) HE2
ASP( 9 A 135) HD2
GLU( 9 A 139) HE2
GLU( 9 A 140) HE2
GLU( 9 A 149) HE2
GLU( 10 A 24) HE2
GLU( 10 A 38) HE2
ASP( 10 A 40) HD2
GLU( 10 A 53) HE2
ASP( 10 A 60) HD2
GLU( 10 A 65) HE2
GLU( 10 A 82) HE2
GLU( 10 A 91) HE2
GLU( 10 A 106) HE2
GLU( 10 A 107) HE2
ASP( 10 A 125) HD2
ASP( 10 A 129) HD2
GLU( 10 A 132) HE2
ASP( 10 A 135) HD2
GLU( 10 A 139) HE2
GLU( 10 A 140) HE2
GLU( 10 A 149) HE2
GLU( 11 A 24) HE2
GLU( 11 A 38) HE2
ASP( 11 A 40) HD2
GLU( 11 A 53) HE2
ASP( 11 A 60) HD2
GLU( 11 A 65) HE2
GLU( 11 A 82) HE2
GLU( 11 A 91) HE2
GLU( 11 A 106) HE2
GLU( 11 A 107) HE2
ASP( 11 A 125) HD2
ASP( 11 A 129) HD2
GLU( 11 A 132) HE2
ASP( 11 A 135) HD2
GLU( 11 A 139) HE2
GLU( 11 A 140) HE2
GLU( 11 A 149) HE2
GLU( 12 A 24) HE2
GLU( 12 A 38) HE2
ASP( 12 A 40) HD2
GLU( 12 A 53) HE2
ASP( 12 A 60) HD2
GLU( 12 A 65) HE2
GLU( 12 A 82) HE2
GLU( 12 A 91) HE2
GLU( 12 A 106) HE2
GLU( 12 A 107) HE2
ASP( 12 A 125) HD2
ASP( 12 A 129) HD2
GLU( 12 A 132) HE2
ASP( 12 A 135) HD2
GLU( 12 A 139) HE2
GLU( 12 A 140) HE2
GLU( 12 A 149) HE2
GLU( 13 A 24) HE2
GLU( 13 A 38) HE2
ASP( 13 A 40) HD2
GLU( 13 A 53) HE2
ASP( 13 A 60) HD2
GLU( 13 A 65) HE2
GLU( 13 A 82) HE2
GLU( 13 A 91) HE2
GLU( 13 A 106) HE2
GLU( 13 A 107) HE2
ASP( 13 A 125) HD2
ASP( 13 A 129) HD2
GLU( 13 A 132) HE2
ASP( 13 A 135) HD2
GLU( 13 A 139) HE2
GLU( 13 A 140) HE2
GLU( 13 A 149) HE2
GLU( 14 A 24) HE2
GLU( 14 A 38) HE2
ASP( 14 A 40) HD2
GLU( 14 A 53) HE2
ASP( 14 A 60) HD2
GLU( 14 A 65) HE2
GLU( 14 A 82) HE2
GLU( 14 A 91) HE2
GLU( 14 A 106) HE2
GLU( 14 A 107) HE2
ASP( 14 A 125) HD2
ASP( 14 A 129) HD2
GLU( 14 A 132) HE2
ASP( 14 A 135) HD2
GLU( 14 A 139) HE2
GLU( 14 A 140) HE2
GLU( 14 A 149) HE2
GLU( 15 A 24) HE2
GLU( 15 A 38) HE2
ASP( 15 A 40) HD2
GLU( 15 A 53) HE2
ASP( 15 A 60) HD2
GLU( 15 A 65) HE2
GLU( 15 A 82) HE2
GLU( 15 A 91) HE2
GLU( 15 A 106) HE2
GLU( 15 A 107) HE2
ASP( 15 A 125) HD2
ASP( 15 A 129) HD2
GLU( 15 A 132) HE2
ASP( 15 A 135) HD2
GLU( 15 A 139) HE2
GLU( 15 A 140) HE2
GLU( 15 A 149) HE2
GLU( 16 A 24) HE2
GLU( 16 A 38) HE2
ASP( 16 A 40) HD2
GLU( 16 A 53) HE2
ASP( 16 A 60) HD2
GLU( 16 A 65) HE2
GLU( 16 A 82) HE2
GLU( 16 A 91) HE2
GLU( 16 A 106) HE2
GLU( 16 A 107) HE2
ASP( 16 A 125) HD2
ASP( 16 A 129) HD2
GLU( 16 A 132) HE2
ASP( 16 A 135) HD2
GLU( 16 A 139) HE2
GLU( 16 A 140) HE2
GLU( 16 A 149) HE2
GLU( 17 A 24) HE2
GLU( 17 A 38) HE2
ASP( 17 A 40) HD2
GLU( 17 A 53) HE2
ASP( 17 A 60) HD2
GLU( 17 A 65) HE2
GLU( 17 A 82) HE2
GLU( 17 A 91) HE2
GLU( 17 A 106) HE2
GLU( 17 A 107) HE2
ASP( 17 A 125) HD2
ASP( 17 A 129) HD2
GLU( 17 A 132) HE2
ASP( 17 A 135) HD2
GLU( 17 A 139) HE2
GLU( 17 A 140) HE2
GLU( 17 A 149) HE2
GLU( 18 A 24) HE2
GLU( 18 A 38) HE2
ASP( 18 A 40) HD2
GLU( 18 A 53) HE2
ASP( 18 A 60) HD2
GLU( 18 A 65) HE2
GLU( 18 A 82) HE2
GLU( 18 A 91) HE2
GLU( 18 A 106) HE2
GLU( 18 A 107) HE2
ASP( 18 A 125) HD2
ASP( 18 A 129) HD2
GLU( 18 A 132) HE2
ASP( 18 A 135) HD2
GLU( 18 A 139) HE2
GLU( 18 A 140) HE2
GLU( 18 A 149) HE2
GLU( 19 A 24) HE2
GLU( 19 A 38) HE2
ASP( 19 A 40) HD2
GLU( 19 A 53) HE2
ASP( 19 A 60) HD2
GLU( 19 A 65) HE2
GLU( 19 A 82) HE2
GLU( 19 A 91) HE2
GLU( 19 A 106) HE2
GLU( 19 A 107) HE2
ASP( 19 A 125) HD2
ASP( 19 A 129) HD2
GLU( 19 A 132) HE2
ASP( 19 A 135) HD2
GLU( 19 A 139) HE2
GLU( 19 A 140) HE2
GLU( 19 A 149) HE2
GLU( 20 A 24) HE2
GLU( 20 A 38) HE2
ASP( 20 A 40) HD2
GLU( 20 A 53) HE2
ASP( 20 A 60) HD2
GLU( 20 A 65) HE2
GLU( 20 A 82) HE2
GLU( 20 A 91) HE2
GLU( 20 A 106) HE2
GLU( 20 A 107) HE2
ASP( 20 A 125) HD2
ASP( 20 A 129) HD2
GLU( 20 A 132) HE2
ASP( 20 A 135) HD2
GLU( 20 A 139) HE2
GLU( 20 A 140) HE2
GLU( 20 A 149) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 155) O2
HIS( 2 A 155) O2
HIS( 3 A 155) O2
HIS( 4 A 155) O2
HIS( 5 A 155) O2
HIS( 6 A 155) O2
HIS( 7 A 155) O2
HIS( 8 A 155) O2
HIS( 9 A 155) O2
HIS( 10 A 155) O2
HIS( 11 A 155) O2
HIS( 12 A 155) O2
HIS( 13 A 155) O2
HIS( 14 A 155) O2
HIS( 15 A 155) O2
HIS( 16 A 155) O2
HIS( 17 A 155) O2
HIS( 18 A 155) O2
HIS( 19 A 155) O2
HIS( 20 A 155) O2
CHECK TERMINAL ATOMS
--------------------
Terminal atom(s) showed in middle of sequence will be deleted:
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A
2H PRO 1 A
3H PRO 1 A