Detailed results of DHR8C_NMR_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 822
# INTRA-RESIDUE RESTRAINTS (I=J) : 249
# SEQUENTIAL RESTRAINTS (I-J)=1 : 204
# BACKBONE-BACKBONE : 74
# BACKBONE-SIDE CHAIN : 0
# SIDE CHAIN-SIDE CHAIN : 130
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 11
# BACKBONE-BACKBONE : 2
# BACKBONE-SIDE CHAIN : 5
# SIDE CHAIN-SIDE CHAIN : 4
# LONG RANGE RESTRAINTS (I-J)>=5 : 358
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 822
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 2 1.5 1.5 0.0 0.0 0.0
ASP 2 2 3.0 3.0 0.0 0.0 0.0
ASN 3 3 7.0 3.5 0.0 3.5 0.0
ARG 4 13 13.5 4.0 0.0 9.5 0.0
GLN 5 1 9.5 4.0 0.0 5.5 0.0
PHE 6 2 9.5 3.5 0.0 6.0 0.0
LEU 7 5 10.0 3.0 0.0 7.0 0.0
SER 8 1 7.5 3.0 0.0 4.5 0.0
LEU 9 8 13.5 5.0 1.0 7.5 0.0
THR 10 1 9.0 4.5 0.0 4.5 0.0
GLY 11 0 2.5 1.5 0.0 1.0 0.0
VAL 12 3 10.5 2.5 1.0 7.0 0.0
SER 13 2 9.0 4.0 0.0 5.0 0.0
LYS 14 8 8.5 3.0 0.0 5.5 0.0
VAL 15 3 6.5 2.5 0.0 4.0 0.0
GLN 16 8 17.0 3.5 0.0 13.5 0.0
SER 17 0 12.5 4.0 0.0 8.5 0.0
PHE 18 0 8.0 2.0 0.0 6.0 0.0
ASP 19 0 0.0 0.0 0.0 0.0 0.0
PRO 20 0 5.0 1.0 0.0 4.0 0.0
LYS 21 13 5.0 4.0 0.0 1.0 0.0
GLU 22 3 11.0 6.0 0.0 5.0 0.0
ILE 23 8 21.0 5.5 0.0 15.5 0.0
LEU 24 8 22.0 4.5 0.0 17.5 0.0
LEU 25 9 17.0 5.0 0.0 12.0 0.0
GLU 26 4 18.0 5.0 0.0 13.0 0.0
THR 27 3 17.0 2.5 2.0 12.5 0.0
ILE 28 9 2.5 2.0 0.0 0.5 0.0
GLN 29 4 3.0 3.0 0.0 0.0 0.0
GLY 30 0 3.5 3.0 0.5 0.0 0.0
VAL 31 5 16.5 4.0 1.5 11.0 0.0
LEU 32 7 16.0 5.5 0.0 10.5 0.0
SER 33 0 12.5 4.5 0.0 8.0 0.0
ILE 34 9 19.0 3.5 0.0 15.5 0.0
LYS 35 12 16.5 5.0 1.0 10.5 0.0
GLY 36 0 10.5 4.0 1.5 5.0 0.0
GLU 37 4 10.0 3.0 0.0 7.0 0.0
LYS 38 8 9.0 3.0 0.0 6.0 0.0
LEU 39 8 20.5 3.0 2.5 15.0 0.0
GLY 40 0 3.0 2.0 0.0 1.0 0.0
ILE 41 0 0.0 0.0 0.0 0.0 0.0
LYS 42 0 0.0 0.0 0.0 0.0 0.0
HIS 43 0 0.0 0.0 0.0 0.0 0.0
LEU 44 0 0.0 0.0 0.0 0.0 0.0
ASP 45 0 0.0 0.0 0.0 0.0 0.0
LEU 46 6 3.5 1.0 0.0 2.5 0.0
LYS 47 8 3.0 3.0 0.0 0.0 0.0
ALA 48 1 3.5 3.5 0.0 0.0 0.0
GLY 49 0 2.0 1.5 0.0 0.5 0.0
GLN 50 7 7.0 3.0 0.0 4.0 0.0
VAL 51 5 9.0 4.5 0.0 4.5 0.0
GLU 52 4 7.0 3.5 0.0 3.5 0.0
VAL 53 2 5.5 3.5 0.0 2.0 0.0
GLU 54 1 8.5 3.0 0.0 5.5 0.0
GLY 55 0 10.0 2.0 0.0 8.0 0.0
LEU 56 8 25.5 3.0 0.0 22.5 0.0
ILE 57 8 16.0 4.5 0.0 11.5 0.0
ASP 58 0 9.5 4.5 0.0 5.0 0.0
ALA 59 1 9.0 4.0 0.0 5.0 0.0
LEU 60 7 9.5 3.5 0.0 6.0 0.0
VAL 61 4 7.0 3.5 0.0 3.5 0.0
TYR 62 1 6.5 1.5 0.0 5.0 0.0
PRO 63 0 2.0 2.0 0.0 0.0 0.0
LEU 64 7 4.5 4.5 0.0 0.0 0.0
GLU 65 3 4.0 4.0 0.0 0.0 0.0
HIS 66 0 1.5 1.5 0.0 0.0 0.0
HIS 67 0 0.0 0.0 0.0 0.0 0.0
HIS 68 0 0.0 0.0 0.0 0.0 0.0
HIS 69 0 0.0 0.0 0.0 0.0 0.0
HIS 70 0 1.0 1.0 0.0 0.0 0.0
HIS 71 0 1.0 1.0 0.0 0.0 0.0
MET 72 0 0.0 0.0 0.0 0.0 0.0
ASP 73 0 0.0 0.0 0.0 0.0 0.0
ASN 74 0 0.0 0.0 0.0 0.0 0.0
ARG 75 0 0.0 0.0 0.0 0.0 0.0
GLN 76 0 0.0 0.0 0.0 0.0 0.0
PHE 77 0 0.0 0.0 0.0 0.0 0.0
LEU 78 0 0.0 0.0 0.0 0.0 0.0
SER 79 0 0.0 0.0 0.0 0.0 0.0
LEU 80 0 0.0 0.0 0.0 0.0 0.0
THR 81 0 0.0 0.0 0.0 0.0 0.0
GLY 82 0 0.0 0.0 0.0 0.0 0.0
VAL 83 0 0.0 0.0 0.0 0.0 0.0
SER 84 0 0.0 0.0 0.0 0.0 0.0
LYS 85 0 0.0 0.0 0.0 0.0 0.0
VAL 86 0 0.0 0.0 0.0 0.0 0.0
GLN 87 0 0.0 0.0 0.0 0.0 0.0
SER 88 0 0.0 0.0 0.0 0.0 0.0
PHE 89 0 0.0 0.0 0.0 0.0 0.0
ASP 90 0 0.0 0.0 0.0 0.0 0.0
PRO 91 0 0.0 0.0 0.0 0.0 0.0
LYS 92 0 0.0 0.0 0.0 0.0 0.0
GLU 93 0 0.0 0.0 0.0 0.0 0.0
ILE 94 0 0.0 0.0 0.0 0.0 0.0
LEU 95 0 0.0 0.0 0.0 0.0 0.0
LEU 96 0 0.0 0.0 0.0 0.0 0.0
GLU 97 0 0.0 0.0 0.0 0.0 0.0
THR 98 0 0.0 0.0 0.0 0.0 0.0
ILE 99 0 0.0 0.0 0.0 0.0 0.0
GLN 100 0 0.0 0.0 0.0 0.0 0.0
GLY 101 0 0.0 0.0 0.0 0.0 0.0
VAL 102 0 0.0 0.0 0.0 0.0 0.0
LEU 103 0 0.0 0.0 0.0 0.0 0.0
SER 104 0 0.0 0.0 0.0 0.0 0.0
ILE 105 0 0.0 0.0 0.0 0.0 0.0
LYS 106 0 0.0 0.0 0.0 0.0 0.0
GLY 107 0 0.0 0.0 0.0 0.0 0.0
GLU 108 0 0.0 0.0 0.0 0.0 0.0
LYS 109 0 0.0 0.0 0.0 0.0 0.0
LEU 110 0 0.0 0.0 0.0 0.0 0.0
GLY 111 0 0.0 0.0 0.0 0.0 0.0
ILE 112 0 0.0 0.0 0.0 0.0 0.0
LYS 113 0 0.0 0.0 0.0 0.0 0.0
HIS 114 0 0.0 0.0 0.0 0.0 0.0
LEU 115 0 0.0 0.0 0.0 0.0 0.0
ASP 116 0 0.0 0.0 0.0 0.0 0.0
LEU 117 0 0.0 0.0 0.0 0.0 0.0
LYS 118 0 0.0 0.0 0.0 0.0 0.0
ALA 119 0 0.0 0.0 0.0 0.0 0.0
GLY 120 0 0.0 0.0 0.0 0.0 0.0
GLN 121 0 0.0 0.0 0.0 0.0 0.0
VAL 122 0 0.0 0.0 0.0 0.0 0.0
GLU 123 0 0.0 0.0 0.0 0.0 0.0
VAL 124 0 0.0 0.0 0.0 0.0 0.0
GLU 125 0 0.0 0.0 0.0 0.0 0.0
GLY 126 0 0.0 0.0 0.0 0.0 0.0
LEU 127 0 0.0 0.0 0.0 0.0 0.0
ILE 128 0 0.0 0.0 0.0 0.0 0.0
ASP 129 0 0.0 0.0 0.0 0.0 0.0
ALA 130 0 0.0 0.0 0.0 0.0 0.0
LEU 131 0 0.0 0.0 0.0 0.0 0.0
VAL 132 0 0.0 0.0 0.0 0.0 0.0
TYR 133 0 0.0 0.0 0.0 0.0 0.0
PRO 134 0 0.0 0.0 0.0 0.0 0.0
LEU 135 0 0.0 0.0 0.0 0.0 0.0
GLU 136 0 0.0 0.0 0.0 0.0 0.0
HIS 137 0 0.0 0.0 0.0 0.0 0.0
HIS 138 0 0.0 0.0 0.0 0.0 0.0
HIS 139 0 0.0 0.0 0.0 0.0 0.0
HIS 140 0 0.0 0.0 0.0 0.0 0.0
HIS 141 0 0.0 0.0 0.0 0.0 0.0
HIS 142 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 249 573.0 204.0 11.0 358.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 822.0
List of conformationally-resticting NOE constraints
assign ((segid A and resid 1 and name HA )) ((segid A and resid 1 and name HG* )) 1.80 0.00 2.09
assign ((segid A and resid 1 and name HA )) ((segid A and resid 2 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 1 and name HB* )) ((segid A and resid 2 and name HN )) 1.80 0.00 2.10
assign ((segid A and resid 1 and name HG* )) ((segid A and resid 1 and name HE* )) 1.80 0.00 2.30
assign ((segid A and resid 1 and name HG* )) ((segid A and resid 2 and name HN )) 1.80 0.00 3.09
assign ((segid A and resid 2 and name HA )) ((segid A and resid 3 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 2 and name HB1 )) ((segid A and resid 3 and name HN )) 1.80 0.00 2.90
assign ((segid A and resid 2 and name HB2 )) ((segid A and resid 3 and name HN )) 1.80 0.00 2.90
assign ((segid A and resid 2 and name HN )) ((segid A and resid 2 and name HB1 )) 1.80 0.00 2.30
assign ((segid A and resid 2 and name HN )) ((segid A and resid 2 and name HB2 )) 1.80 0.00 2.30
assign ((segid A and resid 3 and name HA )) ((segid A and resid 4 and name HN )) 1.80 0.00 1.96
assign ((segid A and resid 3 and name HB* )) ((segid A and resid 3 and name HD21 )) 1.80 0.00 2.04
assign ((segid A and resid 3 and name HB* )) ((segid A and resid 56 and name HB* )) 1.80 0.00 3.94
assign ((segid A and resid 3 and name HB* )) ((segid A and resid 56 and name HG )) 1.80 0.00 3.34
assign ((segid A and resid 3 and name HB1 )) ((segid A and resid 4 and name HN )) 1.80 0.00 3.14
assign ((segid A and resid 3 and name HB1 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 1.97
assign ((segid A and resid 3 and name HB2 )) ((segid A and resid 4 and name HN )) 1.80 0.00 3.14
assign ((segid A and resid 3 and name HB2 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 2.40
assign ((segid A and resid 3 and name HD21 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.20
assign ((segid A and resid 3 and name HD22 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.18
assign ((segid A and resid 3 and name HN )) ((segid A and resid 3 and name HB1 )) 1.80 0.00 2.19
assign ((segid A and resid 3 and name HN )) ((segid A and resid 3 and name HB2 )) 1.80 0.00 2.19
assign ((segid A and resid 3 and name HN )) ((segid A and resid 4 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 3 and name HN )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.20
assign ((segid A and resid 4 and name HA )) ((segid A and resid 4 and name HG1 )) 1.80 0.00 2.49
assign ((segid A and resid 4 and name HA )) ((segid A and resid 4 and name HG2 )) 1.80 0.00 2.49
assign ((segid A and resid 4 and name HA )) ((segid A and resid 5 and name HN )) 1.80 0.00 1.76
assign ((segid A and resid 4 and name HA )) ((segid A and resid 56 and name HA )) 1.80 0.00 2.55
assign ((segid A and resid 4 and name HA )) ((segid A and resid 56 and name HB1 )) 1.80 0.00 4.20
assign ((segid A and resid 4 and name HA )) ((segid A and resid 56 and name HB2 )) 1.80 0.00 4.20
assign ((segid A and resid 4 and name HA )) ((segid A and resid 56 and name HD* )) 1.80 0.00 2.63
assign ((segid A and resid 4 and name HB* )) ((segid A and resid 55 and name HA1 )) 1.80 0.00 3.50
assign ((segid A and resid 4 and name HB* )) ((segid A and resid 55 and name HA2 )) 1.80 0.00 3.50
assign ((segid A and resid 4 and name HB* )) ((segid A and resid 56 and name HG )) 1.80 0.00 3.80
assign ((segid A and resid 4 and name HB1 )) ((segid A and resid 4 and name HD1 )) 1.80 0.00 2.51
assign ((segid A and resid 4 and name HB1 )) ((segid A and resid 4 and name HD2 )) 1.80 0.00 2.51
assign ((segid A and resid 4 and name HB1 )) ((segid A and resid 4 and name HE )) 1.80 0.00 2.74
assign ((segid A and resid 4 and name HB1 )) ((segid A and resid 5 and name HN )) 1.80 0.00 3.06
assign ((segid A and resid 4 and name HB1 )) ((segid A and resid 56 and name HA )) 1.80 0.00 3.42
assign ((segid A and resid 4 and name HB1 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.00
assign ((segid A and resid 4 and name HB2 )) ((segid A and resid 4 and name HD1 )) 1.80 0.00 2.51
assign ((segid A and resid 4 and name HB2 )) ((segid A and resid 4 and name HD2 )) 1.80 0.00 2.51
assign ((segid A and resid 4 and name HB2 )) ((segid A and resid 4 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 4 and name HB2 )) ((segid A and resid 5 and name HN )) 1.80 0.00 3.06
assign ((segid A and resid 4 and name HB2 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.00
assign ((segid A and resid 4 and name HD* )) ((segid A and resid 55 and name HA* )) 1.80 0.00 3.99
assign ((segid A and resid 4 and name HD1 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.66
assign ((segid A and resid 4 and name HD2 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.66
assign ((segid A and resid 4 and name HE )) ((segid A and resid 55 and name HA* )) 1.80 0.00 3.70
assign ((segid A and resid 4 and name HE )) ((segid A and resid 56 and name HD* )) 1.80 0.00 2.18
assign ((segid A and resid 4 and name HE )) ((segid A and resid 56 and name HD1* )) 1.80 0.00 3.20
assign ((segid A and resid 4 and name HE )) ((segid A and resid 56 and name HD2* )) 1.80 0.00 3.20
assign ((segid A and resid 4 and name HG* )) ((segid A and resid 55 and name HA* )) 1.80 0.00 3.73
assign ((segid A and resid 4 and name HG1 )) ((segid A and resid 4 and name HE )) 1.80 0.00 2.31
assign ((segid A and resid 4 and name HG2 )) ((segid A and resid 4 and name HE )) 1.80 0.00 2.31
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HD* )) 1.80 0.00 3.16
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HG1 )) 1.80 0.00 2.60
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HG2 )) 1.80 0.00 2.10
assign ((segid A and resid 4 and name HN )) ((segid A and resid 5 and name HN )) 1.80 0.00 3.69
assign ((segid A and resid 4 and name HN )) ((segid A and resid 56 and name HD* )) 1.80 0.00 1.81
assign ((segid A and resid 5 and name HA )) ((segid A and resid 6 and name HN )) 1.80 0.00 2.02
assign ((segid A and resid 5 and name HB* )) ((segid A and resid 6 and name HN )) 1.80 0.00 2.18
assign ((segid A and resid 5 and name HB* )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 2.08
assign ((segid A and resid 5 and name HE2* )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 3.39
assign ((segid A and resid 5 and name HE21 )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 4.25
assign ((segid A and resid 5 and name HE22 )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 4.25
assign ((segid A and resid 5 and name HG* )) ((segid A and resid 6 and name HN )) 1.80 0.00 2.93
assign ((segid A and resid 5 and name HG* )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 2.50
assign ((segid A and resid 5 and name HN )) ((segid A and resid 5 and name HG* )) 1.80 0.00 2.68
assign ((segid A and resid 5 and name HN )) ((segid A and resid 6 and name HN )) 1.80 0.00 3.55
assign ((segid A and resid 5 and name HN )) ((segid A and resid 55 and name HN )) 1.80 0.00 2.18
assign ((segid A and resid 5 and name HN )) ((segid A and resid 56 and name HA )) 1.80 0.00 3.15
assign ((segid A and resid 5 and name HN )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.41
assign ((segid A and resid 5 and name HN )) ((segid A and resid 56 and name HN )) 1.80 0.00 4.21
assign ((segid A and resid 5 and name HN )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 3.61
assign ((segid A and resid 5 and name HN )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.17
assign ((segid A and resid 6 and name HA )) ((segid A and resid 6 and name HD* )) 1.80 0.00 2.48
assign ((segid A and resid 6 and name HA )) ((segid A and resid 7 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 6 and name HA )) ((segid A and resid 54 and name HA )) 1.80 0.00 2.47
assign ((segid A and resid 6 and name HA )) ((segid A and resid 55 and name HN )) 1.80 0.00 2.90
assign ((segid A and resid 6 and name HB* )) ((segid A and resid 54 and name HG* )) 1.80 0.00 3.80
assign ((segid A and resid 6 and name HB1 )) ((segid A and resid 7 and name HN )) 1.80 0.00 4.10
assign ((segid A and resid 6 and name HB1 )) ((segid A and resid 54 and name HA )) 1.80 0.00 4.10
assign ((segid A and resid 6 and name HB2 )) ((segid A and resid 7 and name HN )) 1.80 0.00 4.10
assign ((segid A and resid 6 and name HB2 )) ((segid A and resid 54 and name HA )) 1.80 0.00 4.10
assign ((segid A and resid 6 and name HD* )) ((segid A and resid 54 and name HA )) 1.80 0.00 2.60
assign ((segid A and resid 6 and name HD* )) ((segid A and resid 54 and name HB* )) 1.80 0.00 2.50
assign ((segid A and resid 6 and name HD* )) ((segid A and resid 54 and name HG* )) 1.80 0.00 2.78
assign ((segid A and resid 6 and name HE* )) ((segid A and resid 54 and name HB* )) 1.80 0.00 3.20
assign ((segid A and resid 6 and name HE* )) ((segid A and resid 54 and name HG* )) 1.80 0.00 3.77
assign ((segid A and resid 6 and name HN )) ((segid A and resid 6 and name HD* )) 1.80 0.00 2.56
assign ((segid A and resid 6 and name HN )) ((segid A and resid 54 and name HA )) 1.80 0.00 4.25
assign ((segid A and resid 6 and name HN )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 3.94
assign ((segid A and resid 7 and name HA )) ((segid A and resid 7 and name HD1* )) 1.80 0.00 2.03
assign ((segid A and resid 7 and name HA )) ((segid A and resid 7 and name HG )) 1.80 0.00 2.02
assign ((segid A and resid 7 and name HA )) ((segid A and resid 8 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 7 and name HB* )) ((segid A and resid 7 and name HD1* )) 1.80 0.00 1.53
assign ((segid A and resid 7 and name HB* )) ((segid A and resid 7 and name HD2* )) 1.80 0.00 1.49
assign ((segid A and resid 7 and name HB* )) ((segid A and resid 34 and name HG2* )) 1.80 0.00 2.72
assign ((segid A and resid 7 and name HB* )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 2.42
assign ((segid A and resid 7 and name HB* )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.18
assign ((segid A and resid 7 and name HB* )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 3.00
assign ((segid A and resid 7 and name HD1* )) ((segid A and resid 8 and name HN )) 1.80 0.00 2.55
assign ((segid A and resid 7 and name HD2* )) ((segid A and resid 34 and name HA )) 1.80 0.00 3.30
assign ((segid A and resid 7 and name HD2* )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 1.99
assign ((segid A and resid 7 and name HD2* )) ((segid A and resid 34 and name HG1* )) 1.80 0.00 1.83
assign ((segid A and resid 7 and name HD2* )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 2.12
assign ((segid A and resid 7 and name HG )) ((segid A and resid 8 and name HN )) 1.80 0.00 2.25
assign ((segid A and resid 7 and name HG )) ((segid A and resid 60 and name HD1* )) 1.80 0.00 3.00
assign ((segid A and resid 7 and name HN )) ((segid A and resid 7 and name HG )) 1.80 0.00 3.04
assign ((segid A and resid 7 and name HN )) ((segid A and resid 53 and name HG1* )) 1.80 0.00 3.95
assign ((segid A and resid 7 and name HN )) ((segid A and resid 53 and name HN )) 1.80 0.00 4.09
assign ((segid A and resid 7 and name HN )) ((segid A and resid 54 and name HA )) 1.80 0.00 3.55
assign ((segid A and resid 7 and name HN )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 3.77
assign ((segid A and resid 7 and name HN )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.44
assign ((segid A and resid 8 and name HA )) ((segid A and resid 9 and name HN )) 1.80 0.00 1.81
assign ((segid A and resid 8 and name HA )) ((segid A and resid 51 and name HG1* )) 1.80 0.00 3.40
assign ((segid A and resid 8 and name HA )) ((segid A and resid 52 and name HA )) 1.80 0.00 2.29
assign ((segid A and resid 8 and name HA )) ((segid A and resid 52 and name HB* )) 1.80 0.00 3.40
assign ((segid A and resid 8 and name HA )) ((segid A and resid 53 and name HN )) 1.80 0.00 2.86
assign ((segid A and resid 8 and name HB* )) ((segid A and resid 9 and name HN )) 1.80 0.00 2.17
assign ((segid A and resid 8 and name HB* )) ((segid A and resid 52 and name HA )) 1.80 0.00 2.77
assign ((segid A and resid 8 and name HB* )) ((segid A and resid 52 and name HB* )) 1.80 0.00 3.02
assign ((segid A and resid 8 and name HB* )) ((segid A and resid 52 and name HG1 )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HB* )) ((segid A and resid 52 and name HG2 )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HB* )) ((segid A and resid 53 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 8 and name HN )) ((segid A and resid 8 and name HB* )) 1.80 0.00 2.06
assign ((segid A and resid 8 and name HN )) ((segid A and resid 9 and name HN )) 1.80 0.00 3.36
assign ((segid A and resid 9 and name HA )) ((segid A and resid 9 and name HD1* )) 1.80 0.00 1.60
assign ((segid A and resid 9 and name HA )) ((segid A and resid 9 and name HD2* )) 1.80 0.00 2.79
assign ((segid A and resid 9 and name HA )) ((segid A and resid 10 and name HN )) 1.80 0.00 1.42
assign ((segid A and resid 9 and name HB* )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.89
assign ((segid A and resid 9 and name HB1 )) ((segid A and resid 9 and name HD1* )) 1.80 0.00 1.85
assign ((segid A and resid 9 and name HB1 )) ((segid A and resid 9 and name HD2* )) 1.80 0.00 1.94
assign ((segid A and resid 9 and name HB1 )) ((segid A and resid 10 and name HN )) 1.80 0.00 3.19
assign ((segid A and resid 9 and name HB2 )) ((segid A and resid 9 and name HD1* )) 1.80 0.00 1.85
assign ((segid A and resid 9 and name HB2 )) ((segid A and resid 9 and name HD2* )) 1.80 0.00 1.94
assign ((segid A and resid 9 and name HB2 )) ((segid A and resid 10 and name HN )) 1.80 0.00 3.19
assign ((segid A and resid 9 and name HD1* )) ((segid A and resid 10 and name HN )) 1.80 0.00 2.70
assign ((segid A and resid 9 and name HD1* )) ((segid A and resid 27 and name HB )) 1.80 0.00 4.07
assign ((segid A and resid 9 and name HD1* )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 2.93
assign ((segid A and resid 9 and name HD1* )) ((segid A and resid 32 and name HB* )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HD1* )) ((segid A and resid 32 and name HD1* )) 1.80 0.00 2.91
assign ((segid A and resid 9 and name HD1* )) ((segid A and resid 62 and name HE2 )) 1.80 0.00 3.60
assign ((segid A and resid 9 and name HD2* )) ((segid A and resid 10 and name HN )) 1.80 0.00 3.26
assign ((segid A and resid 9 and name HD2* )) ((segid A and resid 12 and name HG2* )) 1.80 0.00 2.29
assign ((segid A and resid 9 and name HD2* )) ((segid A and resid 27 and name HG* )) 1.80 0.00 3.70
assign ((segid A and resid 9 and name HD2* )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 1.86
assign ((segid A and resid 9 and name HD2* )) ((segid A and resid 51 and name HG1* )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HG )) ((segid A and resid 10 and name HN )) 1.80 0.00 2.28
assign ((segid A and resid 9 and name HG )) ((segid A and resid 12 and name HG2* )) 1.80 0.00 2.64
assign ((segid A and resid 9 and name HG )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 3.40
assign ((segid A and resid 9 and name HN )) ((segid A and resid 9 and name HD1* )) 1.80 0.00 3.05
assign ((segid A and resid 9 and name HN )) ((segid A and resid 9 and name HD2* )) 1.80 0.00 3.22
assign ((segid A and resid 9 and name HN )) ((segid A and resid 10 and name HN )) 1.80 0.00 3.37
assign ((segid A and resid 9 and name HN )) ((segid A and resid 50 and name HB* )) 1.80 0.00 4.22
assign ((segid A and resid 9 and name HN )) ((segid A and resid 51 and name HB )) 1.80 0.00 4.25
assign ((segid A and resid 9 and name HN )) ((segid A and resid 51 and name HG1* )) 1.80 0.00 2.67
assign ((segid A and resid 9 and name HN )) ((segid A and resid 51 and name HN )) 1.80 0.00 2.75
assign ((segid A and resid 9 and name HN )) ((segid A and resid 52 and name HA )) 1.80 0.00 2.63
assign ((segid A and resid 10 and name HA )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.38
assign ((segid A and resid 10 and name HB )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.21
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.06
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 50 and name HA )) 1.80 0.00 2.64
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 50 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 50 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 50 and name HE21 )) 1.80 0.00 2.99
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 50 and name HE22 )) 1.80 0.00 3.18
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 50 and name HG* )) 1.80 0.00 2.50
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.13
assign ((segid A and resid 10 and name HN )) ((segid A and resid 10 and name HG2* )) 1.80 0.00 2.00
assign ((segid A and resid 10 and name HN )) ((segid A and resid 51 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 11 and name HA* )) ((segid A and resid 28 and name HD1* )) 1.80 0.00 3.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 12 and name HN )) 1.80 0.00 3.34
assign ((segid A and resid 11 and name HN )) ((segid A and resid 50 and name HA )) 1.80 0.00 3.00
assign ((segid A and resid 12 and name HA )) ((segid A and resid 12 and name HG1* )) 1.80 0.00 1.91
assign ((segid A and resid 12 and name HA )) ((segid A and resid 13 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 12 and name HA )) ((segid A and resid 27 and name HA )) 1.80 0.00 2.86
assign ((segid A and resid 12 and name HA )) ((segid A and resid 27 and name HG* )) 1.80 0.00 3.21
assign ((segid A and resid 12 and name HA )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 3.15
assign ((segid A and resid 12 and name HG1* )) ((segid A and resid 13 and name HA )) 1.80 0.00 2.62
assign ((segid A and resid 12 and name HG1* )) ((segid A and resid 13 and name HN )) 1.80 0.00 2.12
assign ((segid A and resid 12 and name HG1* )) ((segid A and resid 25 and name HA )) 1.80 0.00 2.46
assign ((segid A and resid 12 and name HG1* )) ((segid A and resid 25 and name HB* )) 1.80 0.00 2.02
assign ((segid A and resid 12 and name HG1* )) ((segid A and resid 26 and name HN )) 1.80 0.00 1.87
assign ((segid A and resid 12 and name HG1* )) ((segid A and resid 27 and name HA )) 1.80 0.00 3.05
assign ((segid A and resid 12 and name HG1* )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 3.36
assign ((segid A and resid 12 and name HG2* )) ((segid A and resid 13 and name HN )) 1.80 0.00 2.73
assign ((segid A and resid 12 and name HG2* )) ((segid A and resid 25 and name HB* )) 1.80 0.00 2.04
assign ((segid A and resid 12 and name HG2* )) ((segid A and resid 25 and name HD1* )) 1.80 0.00 2.26
assign ((segid A and resid 12 and name HG2* )) ((segid A and resid 27 and name HA )) 1.80 0.00 2.90
assign ((segid A and resid 12 and name HG2* )) ((segid A and resid 27 and name HB )) 1.80 0.00 2.80
assign ((segid A and resid 12 and name HG2* )) ((segid A and resid 27 and name HG* )) 1.80 0.00 3.12
assign ((segid A and resid 12 and name HG2* )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 2.95
assign ((segid A and resid 12 and name HN )) ((segid A and resid 12 and name HG1* )) 1.80 0.00 3.36
assign ((segid A and resid 12 and name HN )) ((segid A and resid 12 and name HG2* )) 1.80 0.00 2.80
assign ((segid A and resid 13 and name HA )) ((segid A and resid 14 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 13 and name HA )) ((segid A and resid 46 and name HD1* )) 1.80 0.00 3.15
assign ((segid A and resid 13 and name HA )) ((segid A and resid 46 and name HD2* )) 1.80 0.00 3.00
assign ((segid A and resid 13 and name HA )) ((segid A and resid 49 and name HA* )) 1.80 0.00 3.00
assign ((segid A and resid 13 and name HB* )) ((segid A and resid 26 and name HB* )) 1.80 0.00 3.53
assign ((segid A and resid 13 and name HB* )) ((segid A and resid 27 and name HB )) 1.80 0.00 4.25
assign ((segid A and resid 13 and name HB* )) ((segid A and resid 46 and name HD1* )) 1.80 0.00 3.81
assign ((segid A and resid 13 and name HB1 )) ((segid A and resid 14 and name HN )) 1.80 0.00 2.75
assign ((segid A and resid 13 and name HB1 )) ((segid A and resid 27 and name HA )) 1.80 0.00 3.08
assign ((segid A and resid 13 and name HB2 )) ((segid A and resid 14 and name HN )) 1.80 0.00 2.75
assign ((segid A and resid 13 and name HB2 )) ((segid A and resid 27 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HN )) ((segid A and resid 13 and name HB1 )) 1.80 0.00 2.39
assign ((segid A and resid 13 and name HN )) ((segid A and resid 13 and name HB2 )) 1.80 0.00 2.39
assign ((segid A and resid 13 and name HN )) ((segid A and resid 14 and name HN )) 1.80 0.00 1.72
assign ((segid A and resid 13 and name HN )) ((segid A and resid 27 and name HA )) 1.80 0.00 2.51
assign ((segid A and resid 13 and name HN )) ((segid A and resid 27 and name HB )) 1.80 0.00 3.40
assign ((segid A and resid 14 and name HA )) ((segid A and resid 14 and name HD* )) 1.80 0.00 2.83
assign ((segid A and resid 14 and name HA )) ((segid A and resid 15 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 14 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.88
assign ((segid A and resid 14 and name HA )) ((segid A and resid 46 and name HD1* )) 1.80 0.00 1.91
assign ((segid A and resid 14 and name HB* )) ((segid A and resid 26 and name HB* )) 1.80 0.00 3.07
assign ((segid A and resid 14 and name HB1 )) ((segid A and resid 14 and name HE* )) 1.80 0.00 3.00
assign ((segid A and resid 14 and name HB2 )) ((segid A and resid 14 and name HE* )) 1.80 0.00 3.00
assign ((segid A and resid 14 and name HB2 )) ((segid A and resid 46 and name HD1* )) 1.80 0.00 3.56
assign ((segid A and resid 14 and name HD* )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.44
assign ((segid A and resid 14 and name HG* )) ((segid A and resid 26 and name HB* )) 1.80 0.00 3.00
assign ((segid A and resid 14 and name HG* )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.40
assign ((segid A and resid 14 and name HG1 )) ((segid A and resid 14 and name HE* )) 1.80 0.00 1.97
assign ((segid A and resid 14 and name HG2 )) ((segid A and resid 14 and name HE* )) 1.80 0.00 1.97
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HD* )) 1.80 0.00 3.79
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HG1 )) 1.80 0.00 3.79
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HG2 )) 1.80 0.00 3.79
assign ((segid A and resid 14 and name HN )) ((segid A and resid 26 and name HB1 )) 1.80 0.00 3.46
assign ((segid A and resid 14 and name HN )) ((segid A and resid 26 and name HB2 )) 1.80 0.00 3.46
assign ((segid A and resid 14 and name HN )) ((segid A and resid 26 and name HG* )) 1.80 0.00 3.77
assign ((segid A and resid 14 and name HN )) ((segid A and resid 26 and name HN )) 1.80 0.00 2.38
assign ((segid A and resid 14 and name HN )) ((segid A and resid 27 and name HA )) 1.80 0.00 3.26
assign ((segid A and resid 15 and name HA )) ((segid A and resid 15 and name HG1* )) 1.80 0.00 2.01
assign ((segid A and resid 15 and name HA )) ((segid A and resid 15 and name HG2* )) 1.80 0.00 2.28
assign ((segid A and resid 15 and name HA )) ((segid A and resid 16 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 15 and name HA )) ((segid A and resid 25 and name HA )) 1.80 0.00 2.64
assign ((segid A and resid 15 and name HA )) ((segid A and resid 25 and name HD2* )) 1.80 0.00 3.21
assign ((segid A and resid 15 and name HA )) ((segid A and resid 25 and name HN )) 1.80 0.00 4.02
assign ((segid A and resid 15 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 2.77
assign ((segid A and resid 15 and name HA )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 4.17
assign ((segid A and resid 15 and name HG1* )) ((segid A and resid 16 and name HN )) 1.80 0.00 2.43
assign ((segid A and resid 15 and name HG1* )) ((segid A and resid 25 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2* )) ((segid A and resid 16 and name HN )) 1.80 0.00 2.73
assign ((segid A and resid 15 and name HG2* )) ((segid A and resid 25 and name HA )) 1.80 0.00 3.47
assign ((segid A and resid 15 and name HG2* )) ((segid A and resid 25 and name HD2* )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HN )) ((segid A and resid 15 and name HG2* )) 1.80 0.00 2.26
assign ((segid A and resid 16 and name HA )) ((segid A and resid 16 and name HG1 )) 1.80 0.00 2.62
assign ((segid A and resid 16 and name HA )) ((segid A and resid 16 and name HG2 )) 1.80 0.00 2.62
assign ((segid A and resid 16 and name HA )) ((segid A and resid 17 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 16 and name HA )) ((segid A and resid 24 and name HB* )) 1.80 0.00 3.78
assign ((segid A and resid 16 and name HB* )) ((segid A and resid 16 and name HE21 )) 1.80 0.00 3.22
assign ((segid A and resid 16 and name HB* )) ((segid A and resid 17 and name HN )) 1.80 0.00 1.81
assign ((segid A and resid 16 and name HB* )) ((segid A and resid 24 and name HB* )) 1.80 0.00 2.53
assign ((segid A and resid 16 and name HB* )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.95
assign ((segid A and resid 16 and name HB1 )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HB2 )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HE21 )) ((segid A and resid 26 and name HG* )) 1.80 0.00 3.17
assign ((segid A and resid 16 and name HE21 )) ((segid A and resid 31 and name HB )) 1.80 0.00 3.99
assign ((segid A and resid 16 and name HE21 )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 3.14
assign ((segid A and resid 16 and name HE21 )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 2.58
assign ((segid A and resid 16 and name HE22 )) ((segid A and resid 26 and name HB* )) 1.80 0.00 3.81
assign ((segid A and resid 16 and name HE22 )) ((segid A and resid 26 and name HG* )) 1.80 0.00 3.37
assign ((segid A and resid 16 and name HE22 )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 3.00
assign ((segid A and resid 16 and name HE22 )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 3.00
assign ((segid A and resid 16 and name HG* )) ((segid A and resid 25 and name HA )) 1.80 0.00 3.35
assign ((segid A and resid 16 and name HG* )) ((segid A and resid 26 and name HB* )) 1.80 0.00 2.60
assign ((segid A and resid 16 and name HG* )) ((segid A and resid 26 and name HN )) 1.80 0.00 2.80
assign ((segid A and resid 16 and name HG1 )) ((segid A and resid 16 and name HE21 )) 1.80 0.00 2.02
assign ((segid A and resid 16 and name HG1 )) ((segid A and resid 17 and name HN )) 1.80 0.00 3.15
assign ((segid A and resid 16 and name HG1 )) ((segid A and resid 24 and name HB* )) 1.80 0.00 3.26
assign ((segid A and resid 16 and name HG1 )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 2.60
assign ((segid A and resid 16 and name HG2 )) ((segid A and resid 16 and name HE21 )) 1.80 0.00 2.02
assign ((segid A and resid 16 and name HG2 )) ((segid A and resid 24 and name HB* )) 1.80 0.00 3.26
assign ((segid A and resid 16 and name HG2 )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HN )) ((segid A and resid 16 and name HB* )) 1.80 0.00 1.98
assign ((segid A and resid 16 and name HN )) ((segid A and resid 16 and name HG1 )) 1.80 0.00 2.71
assign ((segid A and resid 16 and name HN )) ((segid A and resid 16 and name HG2 )) 1.80 0.00 2.71
assign ((segid A and resid 16 and name HN )) ((segid A and resid 17 and name HN )) 1.80 0.00 1.82
assign ((segid A and resid 16 and name HN )) ((segid A and resid 24 and name HB* )) 1.80 0.00 3.74
assign ((segid A and resid 16 and name HN )) ((segid A and resid 25 and name HA )) 1.80 0.00 2.96
assign ((segid A and resid 16 and name HN )) ((segid A and resid 25 and name HB* )) 1.80 0.00 3.73
assign ((segid A and resid 16 and name HN )) ((segid A and resid 25 and name HD2* )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HN )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.22
assign ((segid A and resid 16 and name HN )) ((segid A and resid 26 and name HN )) 1.80 0.00 2.48
assign ((segid A and resid 16 and name HN )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 3.00
assign ((segid A and resid 17 and name HA )) ((segid A and resid 18 and name HN )) 1.80 0.00 2.09
assign ((segid A and resid 17 and name HA )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.91
assign ((segid A and resid 17 and name HB* )) ((segid A and resid 23 and name HA )) 1.80 0.00 3.84
assign ((segid A and resid 17 and name HB* )) ((segid A and resid 24 and name HA )) 1.80 0.00 4.25
assign ((segid A and resid 17 and name HB* )) ((segid A and resid 24 and name HB1 )) 1.80 0.00 3.40
assign ((segid A and resid 17 and name HB* )) ((segid A and resid 24 and name HB2 )) 1.80 0.00 3.40
assign ((segid A and resid 17 and name HB1 )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.19
assign ((segid A and resid 17 and name HB1 )) ((segid A and resid 24 and name HB* )) 1.80 0.00 2.81
assign ((segid A and resid 17 and name HB1 )) ((segid A and resid 24 and name HD1* )) 1.80 0.00 1.95
assign ((segid A and resid 17 and name HB1 )) ((segid A and resid 24 and name HG )) 1.80 0.00 4.14
assign ((segid A and resid 17 and name HB1 )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.41
assign ((segid A and resid 17 and name HB2 )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.19
assign ((segid A and resid 17 and name HB2 )) ((segid A and resid 24 and name HB* )) 1.80 0.00 2.81
assign ((segid A and resid 17 and name HB2 )) ((segid A and resid 24 and name HD1* )) 1.80 0.00 1.95
assign ((segid A and resid 17 and name HB2 )) ((segid A and resid 24 and name HG )) 1.80 0.00 4.14
assign ((segid A and resid 17 and name HB2 )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.41
assign ((segid A and resid 17 and name HN )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.22
assign ((segid A and resid 17 and name HN )) ((segid A and resid 23 and name HG2* )) 1.80 0.00 3.06
assign ((segid A and resid 17 and name HN )) ((segid A and resid 24 and name HB* )) 1.80 0.00 2.24
assign ((segid A and resid 17 and name HN )) ((segid A and resid 24 and name HG )) 1.80 0.00 4.20
assign ((segid A and resid 17 and name HN )) ((segid A and resid 24 and name HN )) 1.80 0.00 2.28
assign ((segid A and resid 18 and name HA )) ((segid A and resid 23 and name HA )) 1.80 0.00 2.70
assign ((segid A and resid 18 and name HA )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 2.39
assign ((segid A and resid 18 and name HA )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.66
assign ((segid A and resid 18 and name HB* )) ((segid A and resid 23 and name HA )) 1.80 0.00 3.80
assign ((segid A and resid 18 and name HB* )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 3.01
assign ((segid A and resid 18 and name HB* )) ((segid A and resid 23 and name HG2* )) 1.80 0.00 2.29
assign ((segid A and resid 18 and name HD* )) ((segid A and resid 23 and name HB )) 1.80 0.00 4.03
assign ((segid A and resid 18 and name HD* )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 2.13
assign ((segid A and resid 18 and name HD* )) ((segid A and resid 23 and name HG11 )) 1.80 0.00 3.52
assign ((segid A and resid 18 and name HD* )) ((segid A and resid 23 and name HG12 )) 1.80 0.00 3.52
assign ((segid A and resid 18 and name HD* )) ((segid A and resid 23 and name HG2* )) 1.80 0.00 2.57
assign ((segid A and resid 18 and name HE* )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 2.43
assign ((segid A and resid 20 and name HA )) ((segid A and resid 39 and name HB1 )) 1.80 0.00 3.52
assign ((segid A and resid 20 and name HA )) ((segid A and resid 39 and name HB2 )) 1.80 0.00 3.52
assign ((segid A and resid 20 and name HA )) ((segid A and resid 39 and name HD1* )) 1.80 0.00 2.81
assign ((segid A and resid 20 and name HA )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 3.32
assign ((segid A and resid 20 and name HA )) ((segid A and resid 39 and name HN )) 1.80 0.00 2.43
assign ((segid A and resid 20 and name HB* )) ((segid A and resid 38 and name HA )) 1.80 0.00 2.60
assign ((segid A and resid 20 and name HB* )) ((segid A and resid 38 and name HN )) 1.80 0.00 2.86
assign ((segid A and resid 20 and name HB* )) ((segid A and resid 39 and name HN )) 1.80 0.00 2.55
assign ((segid A and resid 20 and name HD* )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.63
assign ((segid A and resid 20 and name HG* )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.34
assign ((segid A and resid 21 and name HA )) ((segid A and resid 21 and name HG1 )) 1.80 0.00 2.68
assign ((segid A and resid 21 and name HA )) ((segid A and resid 21 and name HG2 )) 1.80 0.00 2.68
assign ((segid A and resid 21 and name HA )) ((segid A and resid 22 and name HN )) 1.80 0.00 2.06
assign ((segid A and resid 21 and name HA )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.91
assign ((segid A and resid 21 and name HB1 )) ((segid A and resid 21 and name HD* )) 1.80 0.00 2.23
assign ((segid A and resid 21 and name HB1 )) ((segid A and resid 21 and name HE* )) 1.80 0.00 2.60
assign ((segid A and resid 21 and name HB1 )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.63
assign ((segid A and resid 21 and name HB2 )) ((segid A and resid 21 and name HD* )) 1.80 0.00 2.23
assign ((segid A and resid 21 and name HB2 )) ((segid A and resid 21 and name HE* )) 1.80 0.00 2.50
assign ((segid A and resid 21 and name HB2 )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.63
assign ((segid A and resid 21 and name HE* )) ((segid A and resid 38 and name HN )) 1.80 0.00 3.68
assign ((segid A and resid 21 and name HG1 )) ((segid A and resid 21 and name HD* )) 1.80 0.00 1.05
assign ((segid A and resid 21 and name HG1 )) ((segid A and resid 21 and name HE* )) 1.80 0.00 1.98
assign ((segid A and resid 21 and name HG1 )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.81
assign ((segid A and resid 21 and name HG2 )) ((segid A and resid 21 and name HD* )) 1.80 0.00 1.05
assign ((segid A and resid 21 and name HG2 )) ((segid A and resid 21 and name HE* )) 1.80 0.00 1.98
assign ((segid A and resid 21 and name HG2 )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.81
assign ((segid A and resid 21 and name HN )) ((segid A and resid 21 and name HE* )) 1.80 0.00 3.77
assign ((segid A and resid 21 and name HN )) ((segid A and resid 21 and name HG1 )) 1.80 0.00 2.78
assign ((segid A and resid 21 and name HN )) ((segid A and resid 21 and name HG2 )) 1.80 0.00 2.78
assign ((segid A and resid 21 and name HN )) ((segid A and resid 22 and name HN )) 1.80 0.00 1.29
assign ((segid A and resid 22 and name HA )) ((segid A and resid 22 and name HG* )) 1.80 0.00 2.03
assign ((segid A and resid 22 and name HA )) ((segid A and resid 23 and name HN )) 1.80 0.00 2.12
assign ((segid A and resid 22 and name HA )) ((segid A and resid 34 and name HG2* )) 1.80 0.00 3.22
assign ((segid A and resid 22 and name HA )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.30
assign ((segid A and resid 22 and name HA )) ((segid A and resid 35 and name HA )) 1.80 0.00 2.00
assign ((segid A and resid 22 and name HA )) ((segid A and resid 35 and name HG* )) 1.80 0.00 3.23
assign ((segid A and resid 22 and name HA )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.38
assign ((segid A and resid 22 and name HA )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.53
assign ((segid A and resid 22 and name HB1 )) ((segid A and resid 23 and name HN )) 1.80 0.00 4.13
assign ((segid A and resid 22 and name HB2 )) ((segid A and resid 23 and name HN )) 1.80 0.00 4.13
assign ((segid A and resid 22 and name HG* )) ((segid A and resid 33 and name HA )) 1.80 0.00 4.25
assign ((segid A and resid 22 and name HG* )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.50
assign ((segid A and resid 22 and name HG* )) ((segid A and resid 35 and name HA )) 1.80 0.00 3.51
assign ((segid A and resid 22 and name HG1 )) ((segid A and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HG2 )) ((segid A and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HN )) ((segid A and resid 22 and name HB* )) 1.80 0.00 1.48
assign ((segid A and resid 22 and name HN )) ((segid A and resid 22 and name HG* )) 1.80 0.00 3.74
assign ((segid A and resid 22 and name HN )) ((segid A and resid 23 and name HN )) 1.80 0.00 2.93
assign ((segid A and resid 22 and name HN )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 1.85
assign ((segid A and resid 23 and name HA )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 3.13
assign ((segid A and resid 23 and name HA )) ((segid A and resid 23 and name HG2* )) 1.80 0.00 1.79
assign ((segid A and resid 23 and name HA )) ((segid A and resid 24 and name HN )) 1.80 0.00 2.05
assign ((segid A and resid 23 and name HB )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 1.64
assign ((segid A and resid 23 and name HB )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.90
assign ((segid A and resid 23 and name HB )) ((segid A and resid 34 and name HB )) 1.80 0.00 2.23
assign ((segid A and resid 23 and name HB )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 2.80
assign ((segid A and resid 23 and name HB )) ((segid A and resid 34 and name HN )) 1.80 0.00 2.81
assign ((segid A and resid 23 and name HB )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 3.06
assign ((segid A and resid 23 and name HD1* )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.99
assign ((segid A and resid 23 and name HD1* )) ((segid A and resid 39 and name HB1 )) 1.80 0.00 2.89
assign ((segid A and resid 23 and name HD1* )) ((segid A and resid 39 and name HB2 )) 1.80 0.00 2.89
assign ((segid A and resid 23 and name HD1* )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 1.51
assign ((segid A and resid 23 and name HG1* )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.81
assign ((segid A and resid 23 and name HG11 )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 3.21
assign ((segid A and resid 23 and name HG12 )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 3.21
assign ((segid A and resid 23 and name HG2* )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 1.20
assign ((segid A and resid 23 and name HG2* )) ((segid A and resid 23 and name HG11 )) 1.80 0.00 1.82
assign ((segid A and resid 23 and name HG2* )) ((segid A and resid 23 and name HG12 )) 1.80 0.00 1.82
assign ((segid A and resid 23 and name HG2* )) ((segid A and resid 24 and name HN )) 1.80 0.00 2.07
assign ((segid A and resid 23 and name HG2* )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.33
assign ((segid A and resid 23 and name HN )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 3.13
assign ((segid A and resid 23 and name HN )) ((segid A and resid 23 and name HG2* )) 1.80 0.00 2.75
assign ((segid A and resid 23 and name HN )) ((segid A and resid 34 and name HB )) 1.80 0.00 3.34
assign ((segid A and resid 23 and name HN )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 3.30
assign ((segid A and resid 23 and name HN )) ((segid A and resid 34 and name HG2* )) 1.80 0.00 2.67
assign ((segid A and resid 23 and name HN )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.02
assign ((segid A and resid 23 and name HN )) ((segid A and resid 35 and name HA )) 1.80 0.00 3.51
assign ((segid A and resid 23 and name HN )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.74
assign ((segid A and resid 23 and name HN )) ((segid A and resid 36 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 23 and name HN )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 3.11
assign ((segid A and resid 24 and name HA )) ((segid A and resid 24 and name HD1* )) 1.80 0.00 2.49
assign ((segid A and resid 24 and name HA )) ((segid A and resid 24 and name HD2* )) 1.80 0.00 1.42
assign ((segid A and resid 24 and name HA )) ((segid A and resid 24 and name HG )) 1.80 0.00 2.27
assign ((segid A and resid 24 and name HA )) ((segid A and resid 25 and name HN )) 1.80 0.00 1.74
assign ((segid A and resid 24 and name HA )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 2.36
assign ((segid A and resid 24 and name HA )) ((segid A and resid 33 and name HA )) 1.80 0.00 2.62
assign ((segid A and resid 24 and name HA )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 3.44
assign ((segid A and resid 24 and name HA )) ((segid A and resid 34 and name HG1* )) 1.80 0.00 3.39
assign ((segid A and resid 24 and name HA )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 24 and name HB* )) ((segid A and resid 24 and name HD1* )) 1.80 0.00 1.20
assign ((segid A and resid 24 and name HB* )) ((segid A and resid 24 and name HD2* )) 1.80 0.00 1.18
assign ((segid A and resid 24 and name HB* )) ((segid A and resid 25 and name HN )) 1.80 0.00 2.81
assign ((segid A and resid 24 and name HB* )) ((segid A and resid 33 and name HA )) 1.80 0.00 4.07
assign ((segid A and resid 24 and name HD1* )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 2.82
assign ((segid A and resid 24 and name HD1* )) ((segid A and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HD1* )) ((segid A and resid 33 and name HB* )) 1.80 0.00 3.00
assign ((segid A and resid 24 and name HD2* )) ((segid A and resid 25 and name HN )) 1.80 0.00 2.08
assign ((segid A and resid 24 and name HD2* )) ((segid A and resid 31 and name HB )) 1.80 0.00 3.00
assign ((segid A and resid 24 and name HD2* )) ((segid A and resid 33 and name HA )) 1.80 0.00 2.43
assign ((segid A and resid 24 and name HD2* )) ((segid A and resid 33 and name HB* )) 1.80 0.00 1.51
assign ((segid A and resid 24 and name HD2* )) ((segid A and resid 33 and name HN )) 1.80 0.00 2.81
assign ((segid A and resid 24 and name HG )) ((segid A and resid 33 and name HB* )) 1.80 0.00 3.00
assign ((segid A and resid 24 and name HN )) ((segid A and resid 24 and name HD1* )) 1.80 0.00 2.35
assign ((segid A and resid 24 and name HN )) ((segid A and resid 24 and name HD2* )) 1.80 0.00 3.46
assign ((segid A and resid 24 and name HN )) ((segid A and resid 24 and name HG )) 1.80 0.00 2.97
assign ((segid A and resid 24 and name HN )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.59
assign ((segid A and resid 25 and name HA )) ((segid A and resid 25 and name HD1* )) 1.80 0.00 3.22
assign ((segid A and resid 25 and name HA )) ((segid A and resid 25 and name HD2* )) 1.80 0.00 1.61
assign ((segid A and resid 25 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 1.64
assign ((segid A and resid 25 and name HB1 )) ((segid A and resid 25 and name HD1* )) 1.80 0.00 1.94
assign ((segid A and resid 25 and name HB1 )) ((segid A and resid 25 and name HD2* )) 1.80 0.00 2.37
assign ((segid A and resid 25 and name HB1 )) ((segid A and resid 26 and name HN )) 1.80 0.00 4.17
assign ((segid A and resid 25 and name HB1 )) ((segid A and resid 32 and name HD2* )) 1.80 0.00 3.41
assign ((segid A and resid 25 and name HB2 )) ((segid A and resid 25 and name HD1* )) 1.80 0.00 1.94
assign ((segid A and resid 25 and name HB2 )) ((segid A and resid 25 and name HD2* )) 1.80 0.00 2.37
assign ((segid A and resid 25 and name HB2 )) ((segid A and resid 26 and name HN )) 1.80 0.00 4.17
assign ((segid A and resid 25 and name HB2 )) ((segid A and resid 32 and name HD2* )) 1.80 0.00 3.41
assign ((segid A and resid 25 and name HD1* )) ((segid A and resid 26 and name HN )) 1.80 0.00 4.09
assign ((segid A and resid 25 and name HD1* )) ((segid A and resid 32 and name HB* )) 1.80 0.00 2.90
assign ((segid A and resid 25 and name HD1* )) ((segid A and resid 34 and name HG1* )) 1.80 0.00 2.70
assign ((segid A and resid 25 and name HD2* )) ((segid A and resid 26 and name HN )) 1.80 0.00 2.83
assign ((segid A and resid 25 and name HN )) ((segid A and resid 25 and name HD1* )) 1.80 0.00 2.77
assign ((segid A and resid 25 and name HN )) ((segid A and resid 25 and name HD2* )) 1.80 0.00 2.89
assign ((segid A and resid 25 and name HN )) ((segid A and resid 25 and name HG )) 1.80 0.00 3.37
assign ((segid A and resid 25 and name HN )) ((segid A and resid 26 and name HN )) 1.80 0.00 2.94
assign ((segid A and resid 25 and name HN )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 1.58
assign ((segid A and resid 25 and name HN )) ((segid A and resid 32 and name HN )) 1.80 0.00 2.42
assign ((segid A and resid 25 and name HN )) ((segid A and resid 33 and name HA )) 1.80 0.00 2.97
assign ((segid A and resid 25 and name HN )) ((segid A and resid 34 and name HG1* )) 1.80 0.00 3.51
assign ((segid A and resid 26 and name HA )) ((segid A and resid 26 and name HG* )) 1.80 0.00 2.09
assign ((segid A and resid 26 and name HA )) ((segid A and resid 27 and name HN )) 1.80 0.00 1.65
assign ((segid A and resid 26 and name HA )) ((segid A and resid 31 and name HA )) 1.80 0.00 2.79
assign ((segid A and resid 26 and name HA )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 2.30
assign ((segid A and resid 26 and name HA )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 1.86
assign ((segid A and resid 26 and name HA )) ((segid A and resid 32 and name HN )) 1.80 0.00 2.74
assign ((segid A and resid 26 and name HB* )) ((segid A and resid 31 and name HA )) 1.80 0.00 3.03
assign ((segid A and resid 26 and name HB* )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 3.33
assign ((segid A and resid 26 and name HB* )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 2.31
assign ((segid A and resid 26 and name HB* )) ((segid A and resid 32 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 26 and name HB1 )) ((segid A and resid 26 and name HG* )) 1.80 0.00 1.35
assign ((segid A and resid 26 and name HB1 )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.04
assign ((segid A and resid 26 and name HB2 )) ((segid A and resid 26 and name HG* )) 1.80 0.00 1.35
assign ((segid A and resid 26 and name HB2 )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.04
assign ((segid A and resid 26 and name HG* )) ((segid A and resid 27 and name HN )) 1.80 0.00 2.70
assign ((segid A and resid 26 and name HG* )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 2.56
assign ((segid A and resid 26 and name HN )) ((segid A and resid 26 and name HG* )) 1.80 0.00 2.60
assign ((segid A and resid 27 and name HA )) ((segid A and resid 27 and name HG* )) 1.80 0.00 2.30
assign ((segid A and resid 27 and name HA )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 2.14
assign ((segid A and resid 27 and name HB )) ((segid A and resid 28 and name HN )) 1.80 0.00 2.68
assign ((segid A and resid 27 and name HG2* )) ((segid A and resid 32 and name HB* )) 1.80 0.00 2.25
assign ((segid A and resid 27 and name HG2* )) ((segid A and resid 32 and name HD1* )) 1.80 0.00 2.88
assign ((segid A and resid 27 and name HG2* )) ((segid A and resid 32 and name HD2* )) 1.80 0.00 3.20
assign ((segid A and resid 27 and name HG2* )) ((segid A and resid 32 and name HN )) 1.80 0.00 2.37
assign ((segid A and resid 27 and name HG2* )) ((segid A and resid 62 and name HE1 )) 1.80 0.00 3.20
assign ((segid A and resid 27 and name HN )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 1.82
assign ((segid A and resid 27 and name HN )) ((segid A and resid 30 and name HN )) 1.80 0.00 2.74
assign ((segid A and resid 27 and name HN )) ((segid A and resid 31 and name HA )) 1.80 0.00 2.38
assign ((segid A and resid 27 and name HN )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 2.92
assign ((segid A and resid 27 and name HN )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 2.60
assign ((segid A and resid 28 and name HA )) ((segid A and resid 28 and name HD1* )) 1.80 0.00 2.40
assign ((segid A and resid 28 and name HA )) ((segid A and resid 28 and name HG11 )) 1.80 0.00 2.45
assign ((segid A and resid 28 and name HA )) ((segid A and resid 28 and name HG12 )) 1.80 0.00 2.45
assign ((segid A and resid 28 and name HA )) ((segid A and resid 28 and name HG2* )) 1.80 0.00 1.80
assign ((segid A and resid 28 and name HB )) ((segid A and resid 28 and name HD1* )) 1.80 0.00 1.79
assign ((segid A and resid 28 and name HB )) ((segid A and resid 29 and name HN )) 1.80 0.00 2.70
assign ((segid A and resid 28 and name HG2* )) ((segid A and resid 28 and name HG11 )) 1.80 0.00 1.78
assign ((segid A and resid 28 and name HG2* )) ((segid A and resid 28 and name HG12 )) 1.80 0.00 1.78
assign ((segid A and resid 28 and name HG2* )) ((segid A and resid 29 and name HN )) 1.80 0.00 2.30
assign ((segid A and resid 28 and name HN )) ((segid A and resid 28 and name HB )) 1.80 0.00 2.35
assign ((segid A and resid 28 and name HN )) ((segid A and resid 28 and name HD1* )) 1.80 0.00 1.93
assign ((segid A and resid 28 and name HN )) ((segid A and resid 29 and name HN )) 1.80 0.00 2.77
assign ((segid A and resid 29 and name HA )) ((segid A and resid 29 and name HG1 )) 1.80 0.00 2.51
assign ((segid A and resid 29 and name HA )) ((segid A and resid 29 and name HG2 )) 1.80 0.00 2.51
assign ((segid A and resid 29 and name HB* )) ((segid A and resid 30 and name HN )) 1.80 0.00 2.27
assign ((segid A and resid 29 and name HG* )) ((segid A and resid 30 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 29 and name HN )) ((segid A and resid 29 and name HB* )) 1.80 0.00 2.04
assign ((segid A and resid 29 and name HN )) ((segid A and resid 29 and name HG* )) 1.80 0.00 2.50
assign ((segid A and resid 29 and name HN )) ((segid A and resid 30 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 30 and name HA1 )) ((segid A and resid 31 and name HN )) 1.80 0.00 1.79
assign ((segid A and resid 30 and name HA2 )) ((segid A and resid 31 and name HN )) 1.80 0.00 1.79
assign ((segid A and resid 30 and name HN )) ((segid A and resid 31 and name HN )) 1.80 0.00 3.24
assign ((segid A and resid 31 and name HA )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 1.70
assign ((segid A and resid 31 and name HA )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 1.51
assign ((segid A and resid 31 and name HA )) ((segid A and resid 32 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 31 and name HB )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.32
assign ((segid A and resid 31 and name HG1* )) ((segid A and resid 32 and name HN )) 1.80 0.00 1.81
assign ((segid A and resid 31 and name HG2* )) ((segid A and resid 32 and name HN )) 1.80 0.00 2.84
assign ((segid A and resid 31 and name HN )) ((segid A and resid 31 and name HB )) 1.80 0.00 1.67
assign ((segid A and resid 31 and name HN )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 2.67
assign ((segid A and resid 31 and name HN )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 1.51
assign ((segid A and resid 31 and name HN )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.19
assign ((segid A and resid 32 and name HA )) ((segid A and resid 32 and name HD1* )) 1.80 0.00 2.01
assign ((segid A and resid 32 and name HA )) ((segid A and resid 32 and name HD2* )) 1.80 0.00 2.73
assign ((segid A and resid 32 and name HA )) ((segid A and resid 33 and name HN )) 1.80 0.00 1.73
assign ((segid A and resid 32 and name HA )) ((segid A and resid 62 and name HD* )) 1.80 0.00 3.00
assign ((segid A and resid 32 and name HB* )) ((segid A and resid 62 and name HD* )) 1.80 0.00 3.35
assign ((segid A and resid 32 and name HB1 )) ((segid A and resid 32 and name HD1* )) 1.80 0.00 1.70
assign ((segid A and resid 32 and name HB1 )) ((segid A and resid 32 and name HD2* )) 1.80 0.00 1.89
assign ((segid A and resid 32 and name HB1 )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.11
assign ((segid A and resid 32 and name HB2 )) ((segid A and resid 32 and name HD1* )) 1.80 0.00 1.70
assign ((segid A and resid 32 and name HB2 )) ((segid A and resid 32 and name HD2* )) 1.80 0.00 1.89
assign ((segid A and resid 32 and name HB2 )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.11
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 61 and name HA )) 1.80 0.00 4.25
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 61 and name HN )) 1.80 0.00 2.84
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 62 and name HA )) 1.80 0.00 2.92
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 62 and name HB1 )) 1.80 0.00 3.00
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 62 and name HB2 )) 1.80 0.00 3.00
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 62 and name HD2 )) 1.80 0.00 3.15
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD2* )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HN )) ((segid A and resid 32 and name HG )) 1.80 0.00 3.23
assign ((segid A and resid 32 and name HN )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.88
assign ((segid A and resid 33 and name HA )) ((segid A and resid 34 and name HN )) 1.80 0.00 1.95
assign ((segid A and resid 33 and name HB* )) ((segid A and resid 34 and name HN )) 1.80 0.00 2.30
assign ((segid A and resid 33 and name HB* )) ((segid A and resid 61 and name HG1* )) 1.80 0.00 2.46
assign ((segid A and resid 33 and name HB* )) ((segid A and resid 61 and name HG2* )) 1.80 0.00 2.64
assign ((segid A and resid 33 and name HB* )) ((segid A and resid 61 and name HN )) 1.80 0.00 2.57
assign ((segid A and resid 33 and name HN )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.32
assign ((segid A and resid 33 and name HN )) ((segid A and resid 61 and name HB )) 1.80 0.00 2.63
assign ((segid A and resid 33 and name HN )) ((segid A and resid 61 and name HG1* )) 1.80 0.00 3.00
assign ((segid A and resid 33 and name HN )) ((segid A and resid 62 and name HA )) 1.80 0.00 2.72
assign ((segid A and resid 34 and name HA )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 2.63
assign ((segid A and resid 34 and name HA )) ((segid A and resid 34 and name HG2* )) 1.80 0.00 1.85
assign ((segid A and resid 34 and name HA )) ((segid A and resid 35 and name HN )) 1.80 0.00 1.51
assign ((segid A and resid 34 and name HA )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HA )) ((segid A and resid 60 and name HA )) 1.80 0.00 3.12
assign ((segid A and resid 34 and name HA )) ((segid A and resid 60 and name HB* )) 1.80 0.00 4.25
assign ((segid A and resid 34 and name HA )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 1.85
assign ((segid A and resid 34 and name HB )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 1.72
assign ((segid A and resid 34 and name HB )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.71
assign ((segid A and resid 34 and name HB )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.51
assign ((segid A and resid 34 and name HD1* )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 3.05
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 1.20
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 34 and name HG1* )) 1.80 0.00 1.70
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 35 and name HN )) 1.80 0.00 1.71
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.29
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 57 and name HA )) 1.80 0.00 3.01
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.71
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.42
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 60 and name HA )) 1.80 0.00 3.39
assign ((segid A and resid 34 and name HN )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 2.68
assign ((segid A and resid 34 and name HN )) ((segid A and resid 34 and name HG11 )) 1.80 0.00 3.62
assign ((segid A and resid 34 and name HN )) ((segid A and resid 34 and name HG12 )) 1.80 0.00 3.62
assign ((segid A and resid 34 and name HN )) ((segid A and resid 34 and name HG2* )) 1.80 0.00 2.59
assign ((segid A and resid 34 and name HN )) ((segid A and resid 35 and name HN )) 1.80 0.00 2.66
assign ((segid A and resid 35 and name HA )) ((segid A and resid 35 and name HD* )) 1.80 0.00 2.50
assign ((segid A and resid 35 and name HA )) ((segid A and resid 35 and name HE* )) 1.80 0.00 3.22
assign ((segid A and resid 35 and name HA )) ((segid A and resid 35 and name HG1 )) 1.80 0.00 2.48
assign ((segid A and resid 35 and name HA )) ((segid A and resid 35 and name HG2 )) 1.80 0.00 2.48
assign ((segid A and resid 35 and name HA )) ((segid A and resid 36 and name HN )) 1.80 0.00 1.32
assign ((segid A and resid 35 and name HA )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.68
assign ((segid A and resid 35 and name HA )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 4.25
assign ((segid A and resid 35 and name HB* )) ((segid A and resid 58 and name HB* )) 1.80 0.00 3.01
assign ((segid A and resid 35 and name HB* )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.96
assign ((segid A and resid 35 and name HB* )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 4.18
assign ((segid A and resid 35 and name HB1 )) ((segid A and resid 35 and name HE* )) 1.80 0.00 3.19
assign ((segid A and resid 35 and name HB1 )) ((segid A and resid 36 and name HN )) 1.80 0.00 2.81
assign ((segid A and resid 35 and name HB1 )) ((segid A and resid 59 and name HB* )) 1.80 0.00 3.03
assign ((segid A and resid 35 and name HB1 )) ((segid A and resid 59 and name HN )) 1.80 0.00 2.66
assign ((segid A and resid 35 and name HB2 )) ((segid A and resid 35 and name HE* )) 1.80 0.00 3.19
assign ((segid A and resid 35 and name HB2 )) ((segid A and resid 36 and name HN )) 1.80 0.00 2.81
assign ((segid A and resid 35 and name HB2 )) ((segid A and resid 59 and name HB* )) 1.80 0.00 3.03
assign ((segid A and resid 35 and name HB2 )) ((segid A and resid 59 and name HN )) 1.80 0.00 2.66
assign ((segid A and resid 35 and name HE* )) ((segid A and resid 59 and name HB* )) 1.80 0.00 3.00
assign ((segid A and resid 35 and name HG1 )) ((segid A and resid 35 and name HD* )) 1.80 0.00 1.46
assign ((segid A and resid 35 and name HG1 )) ((segid A and resid 36 and name HN )) 1.80 0.00 4.14
assign ((segid A and resid 35 and name HG2 )) ((segid A and resid 35 and name HD* )) 1.80 0.00 1.46
assign ((segid A and resid 35 and name HG2 )) ((segid A and resid 36 and name HN )) 1.80 0.00 4.14
assign ((segid A and resid 35 and name HN )) ((segid A and resid 35 and name HB1 )) 1.80 0.00 2.42
assign ((segid A and resid 35 and name HN )) ((segid A and resid 35 and name HB2 )) 1.80 0.00 2.42
assign ((segid A and resid 35 and name HN )) ((segid A and resid 35 and name HG1 )) 1.80 0.00 2.86
assign ((segid A and resid 35 and name HN )) ((segid A and resid 35 and name HG2 )) 1.80 0.00 2.86
assign ((segid A and resid 35 and name HN )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.29
assign ((segid A and resid 35 and name HN )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.89
assign ((segid A and resid 35 and name HN )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 2.99
assign ((segid A and resid 35 and name HN )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.41
assign ((segid A and resid 35 and name HN )) ((segid A and resid 59 and name HA )) 1.80 0.00 3.90
assign ((segid A and resid 35 and name HN )) ((segid A and resid 59 and name HB* )) 1.80 0.00 2.90
assign ((segid A and resid 35 and name HN )) ((segid A and resid 59 and name HN )) 1.80 0.00 2.16
assign ((segid A and resid 35 and name HN )) ((segid A and resid 60 and name HA )) 1.80 0.00 2.53
assign ((segid A and resid 35 and name HN )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 1.94
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 37 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 39 and name HD1* )) 1.80 0.00 2.77
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.50
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 56 and name HB* )) 1.80 0.00 4.07
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.73
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 58 and name HB1 )) 1.80 0.00 2.95
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 58 and name HB2 )) 1.80 0.00 2.95
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 58 and name HN )) 1.80 0.00 2.47
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.62
assign ((segid A and resid 36 and name HN )) ((segid A and resid 37 and name HN )) 1.80 0.00 3.16
assign ((segid A and resid 36 and name HN )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 1.93
assign ((segid A and resid 36 and name HN )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 4.25
assign ((segid A and resid 36 and name HN )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.14
assign ((segid A and resid 37 and name HA )) ((segid A and resid 37 and name HG* )) 1.80 0.00 2.02
assign ((segid A and resid 37 and name HA )) ((segid A and resid 38 and name HN )) 1.80 0.00 1.93
assign ((segid A and resid 37 and name HB* )) ((segid A and resid 56 and name HB1 )) 1.80 0.00 4.25
assign ((segid A and resid 37 and name HB* )) ((segid A and resid 56 and name HB2 )) 1.80 0.00 4.25
assign ((segid A and resid 37 and name HB* )) ((segid A and resid 56 and name HD* )) 1.80 0.00 2.93
assign ((segid A and resid 37 and name HB1 )) ((segid A and resid 37 and name HG* )) 1.80 0.00 1.10
assign ((segid A and resid 37 and name HB1 )) ((segid A and resid 38 and name HN )) 1.80 0.00 2.57
assign ((segid A and resid 37 and name HB2 )) ((segid A and resid 37 and name HG* )) 1.80 0.00 1.10
assign ((segid A and resid 37 and name HB2 )) ((segid A and resid 38 and name HN )) 1.80 0.00 2.57
assign ((segid A and resid 37 and name HG* )) ((segid A and resid 38 and name HN )) 1.80 0.00 2.72
assign ((segid A and resid 37 and name HG* )) ((segid A and resid 56 and name HB1 )) 1.80 0.00 3.50
assign ((segid A and resid 37 and name HG* )) ((segid A and resid 56 and name HB2 )) 1.80 0.00 3.30
assign ((segid A and resid 37 and name HG* )) ((segid A and resid 56 and name HD* )) 1.80 0.00 2.58
assign ((segid A and resid 37 and name HG* )) ((segid A and resid 56 and name HD1* )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HN )) ((segid A and resid 37 and name HG* )) 1.80 0.00 2.24
assign ((segid A and resid 37 and name HN )) ((segid A and resid 56 and name HB1 )) 1.80 0.00 3.13
assign ((segid A and resid 37 and name HN )) ((segid A and resid 56 and name HB2 )) 1.80 0.00 3.13
assign ((segid A and resid 37 and name HN )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.28
assign ((segid A and resid 37 and name HN )) ((segid A and resid 56 and name HN )) 1.80 0.00 2.60
assign ((segid A and resid 37 and name HN )) ((segid A and resid 57 and name HA )) 1.80 0.00 2.02
assign ((segid A and resid 37 and name HN )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.77
assign ((segid A and resid 37 and name HN )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.09
assign ((segid A and resid 38 and name HA )) ((segid A and resid 38 and name HD1 )) 1.80 0.00 3.00
assign ((segid A and resid 38 and name HA )) ((segid A and resid 38 and name HD2 )) 1.80 0.00 3.00
assign ((segid A and resid 38 and name HA )) ((segid A and resid 38 and name HE* )) 1.80 0.00 3.18
assign ((segid A and resid 38 and name HA )) ((segid A and resid 38 and name HG* )) 1.80 0.00 2.05
assign ((segid A and resid 38 and name HB* )) ((segid A and resid 39 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 38 and name HB* )) ((segid A and resid 55 and name HA1 )) 1.80 0.00 3.60
assign ((segid A and resid 38 and name HB* )) ((segid A and resid 55 and name HA2 )) 1.80 0.00 3.60
assign ((segid A and resid 38 and name HB* )) ((segid A and resid 56 and name HN )) 1.80 0.00 2.07
assign ((segid A and resid 38 and name HB1 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.15
assign ((segid A and resid 38 and name HB2 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.15
assign ((segid A and resid 38 and name HD* )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.29
assign ((segid A and resid 38 and name HD* )) ((segid A and resid 56 and name HN )) 1.80 0.00 4.07
assign ((segid A and resid 38 and name HE* )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HG* )) ((segid A and resid 38 and name HD1 )) 1.80 0.00 1.40
assign ((segid A and resid 38 and name HG* )) ((segid A and resid 38 and name HD2 )) 1.80 0.00 1.40
assign ((segid A and resid 38 and name HG* )) ((segid A and resid 38 and name HE* )) 1.80 0.00 1.26
assign ((segid A and resid 38 and name HN )) ((segid A and resid 38 and name HG* )) 1.80 0.00 2.60
assign ((segid A and resid 38 and name HN )) ((segid A and resid 39 and name HN )) 1.80 0.00 2.46
assign ((segid A and resid 38 and name HN )) ((segid A and resid 56 and name HN )) 1.80 0.00 3.96
assign ((segid A and resid 39 and name HA )) ((segid A and resid 39 and name HD1* )) 1.80 0.00 1.83
assign ((segid A and resid 39 and name HA )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 3.05
assign ((segid A and resid 39 and name HA )) ((segid A and resid 55 and name HA1 )) 1.80 0.00 3.18
assign ((segid A and resid 39 and name HA )) ((segid A and resid 55 and name HA2 )) 1.80 0.00 3.18
assign ((segid A and resid 39 and name HA )) ((segid A and resid 56 and name HN )) 1.80 0.00 3.50
assign ((segid A and resid 39 and name HA )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HB* )) ((segid A and resid 39 and name HD1* )) 1.80 0.00 2.09
assign ((segid A and resid 39 and name HB1 )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.35
assign ((segid A and resid 39 and name HB1 )) ((segid A and resid 40 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 39 and name HB2 )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.35
assign ((segid A and resid 39 and name HB2 )) ((segid A and resid 40 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 39 and name HD1* )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.06
assign ((segid A and resid 39 and name HD1* )) ((segid A and resid 55 and name HA1 )) 1.80 0.00 3.21
assign ((segid A and resid 39 and name HD1* )) ((segid A and resid 55 and name HA2 )) 1.80 0.00 3.21
assign ((segid A and resid 39 and name HD1* )) ((segid A and resid 56 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 39 and name HD1* )) ((segid A and resid 57 and name HA )) 1.80 0.00 2.46
assign ((segid A and resid 39 and name HD1* )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.00
assign ((segid A and resid 39 and name HD1* )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.71
assign ((segid A and resid 39 and name HD2* )) ((segid A and resid 57 and name HA )) 1.80 0.00 3.60
assign ((segid A and resid 39 and name HG )) ((segid A and resid 55 and name HA* )) 1.80 0.00 3.84
assign ((segid A and resid 39 and name HN )) ((segid A and resid 39 and name HD1* )) 1.80 0.00 1.98
assign ((segid A and resid 39 and name HN )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.81
assign ((segid A and resid 39 and name HN )) ((segid A and resid 39 and name HG )) 1.80 0.00 2.86
assign ((segid A and resid 39 and name HN )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.63
assign ((segid A and resid 40 and name HN )) ((segid A and resid 55 and name HA1 )) 1.80 0.00 3.59
assign ((segid A and resid 40 and name HN )) ((segid A and resid 55 and name HA2 )) 1.80 0.00 3.59
assign ((segid A and resid 46 and name HA )) ((segid A and resid 46 and name HD1* )) 1.80 0.00 2.41
assign ((segid A and resid 46 and name HA )) ((segid A and resid 46 and name HD2* )) 1.80 0.00 2.40
assign ((segid A and resid 46 and name HB* )) ((segid A and resid 46 and name HD1* )) 1.80 0.00 1.06
assign ((segid A and resid 46 and name HB* )) ((segid A and resid 46 and name HD2* )) 1.80 0.00 1.49
assign ((segid A and resid 46 and name HB* )) ((segid A and resid 47 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 46 and name HN )) ((segid A and resid 46 and name HD1* )) 1.80 0.00 3.21
assign ((segid A and resid 46 and name HN )) ((segid A and resid 46 and name HD2* )) 1.80 0.00 3.12
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.06
assign ((segid A and resid 47 and name HA )) ((segid A and resid 47 and name HD* )) 1.80 0.00 2.57
assign ((segid A and resid 47 and name HA )) ((segid A and resid 47 and name HG* )) 1.80 0.00 2.02
assign ((segid A and resid 47 and name HB* )) ((segid A and resid 47 and name HD* )) 1.80 0.00 1.47
assign ((segid A and resid 47 and name HB* )) ((segid A and resid 47 and name HE* )) 1.80 0.00 3.22
assign ((segid A and resid 47 and name HB* )) ((segid A and resid 48 and name HN )) 1.80 0.00 1.99
assign ((segid A and resid 47 and name HD* )) ((segid A and resid 48 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 47 and name HG1 )) ((segid A and resid 47 and name HE* )) 1.80 0.00 1.78
assign ((segid A and resid 47 and name HG2 )) ((segid A and resid 47 and name HE* )) 1.80 0.00 1.78
assign ((segid A and resid 47 and name HG2 )) ((segid A and resid 48 and name HN )) 1.80 0.00 3.07
assign ((segid A and resid 47 and name HN )) ((segid A and resid 47 and name HB* )) 1.80 0.00 1.57
assign ((segid A and resid 47 and name HN )) ((segid A and resid 47 and name HG* )) 1.80 0.00 2.70
assign ((segid A and resid 47 and name HN )) ((segid A and resid 48 and name HN )) 1.80 0.00 2.90
assign ((segid A and resid 48 and name HA )) ((segid A and resid 49 and name HN )) 1.80 0.00 2.10
assign ((segid A and resid 48 and name HB* )) ((segid A and resid 49 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 48 and name HB* )) 1.80 0.00 1.42
assign ((segid A and resid 48 and name HN )) ((segid A and resid 49 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 50 and name HA )) ((segid A and resid 51 and name HN )) 1.80 0.00 2.08
assign ((segid A and resid 50 and name HB1 )) ((segid A and resid 50 and name HE21 )) 1.80 0.00 3.80
assign ((segid A and resid 50 and name HB1 )) ((segid A and resid 51 and name HN )) 1.80 0.00 2.96
assign ((segid A and resid 50 and name HB2 )) ((segid A and resid 50 and name HE21 )) 1.80 0.00 3.80
assign ((segid A and resid 50 and name HB2 )) ((segid A and resid 51 and name HN )) 1.80 0.00 2.96
assign ((segid A and resid 50 and name HG* )) ((segid A and resid 50 and name HE21 )) 1.80 0.00 1.97
assign ((segid A and resid 50 and name HG1 )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.41
assign ((segid A and resid 50 and name HG2 )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.41
assign ((segid A and resid 50 and name HN )) ((segid A and resid 50 and name HB1 )) 1.80 0.00 2.38
assign ((segid A and resid 50 and name HN )) ((segid A and resid 50 and name HB2 )) 1.80 0.00 2.38
assign ((segid A and resid 50 and name HN )) ((segid A and resid 50 and name HG1 )) 1.80 0.00 3.00
assign ((segid A and resid 50 and name HN )) ((segid A and resid 50 and name HG2 )) 1.80 0.00 3.00
assign ((segid A and resid 50 and name HN )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.35
assign ((segid A and resid 51 and name HA )) ((segid A and resid 51 and name HG1* )) 1.80 0.00 1.73
assign ((segid A and resid 51 and name HA )) ((segid A and resid 51 and name HG2* )) 1.80 0.00 1.94
assign ((segid A and resid 51 and name HB )) ((segid A and resid 52 and name HN )) 1.80 0.00 2.91
assign ((segid A and resid 51 and name HG1* )) ((segid A and resid 52 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 51 and name HG2* )) ((segid A and resid 52 and name HN )) 1.80 0.00 2.15
assign ((segid A and resid 51 and name HN )) ((segid A and resid 51 and name HB )) 1.80 0.00 2.42
assign ((segid A and resid 51 and name HN )) ((segid A and resid 51 and name HG1* )) 1.80 0.00 2.06
assign ((segid A and resid 51 and name HN )) ((segid A and resid 51 and name HG2* )) 1.80 0.00 2.61
assign ((segid A and resid 52 and name HA )) ((segid A and resid 52 and name HG1 )) 1.80 0.00 2.79
assign ((segid A and resid 52 and name HA )) ((segid A and resid 52 and name HG2 )) 1.80 0.00 2.79
assign ((segid A and resid 52 and name HA )) ((segid A and resid 53 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 52 and name HB* )) ((segid A and resid 53 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 52 and name HG1 )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.99
assign ((segid A and resid 52 and name HG2 )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.99
assign ((segid A and resid 52 and name HN )) ((segid A and resid 52 and name HG1 )) 1.80 0.00 3.36
assign ((segid A and resid 52 and name HN )) ((segid A and resid 52 and name HG2 )) 1.80 0.00 3.36
assign ((segid A and resid 53 and name HA )) ((segid A and resid 53 and name HG1* )) 1.80 0.00 1.53
assign ((segid A and resid 53 and name HA )) ((segid A and resid 54 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 53 and name HB )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.32
assign ((segid A and resid 53 and name HG1* )) ((segid A and resid 54 and name HN )) 1.80 0.00 2.14
assign ((segid A and resid 53 and name HN )) ((segid A and resid 53 and name HG2* )) 1.80 0.00 2.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 55 and name HN )) 1.80 0.00 1.72
assign ((segid A and resid 54 and name HB* )) ((segid A and resid 55 and name HN )) 1.80 0.00 2.09
assign ((segid A and resid 54 and name HG* )) ((segid A and resid 55 and name HN )) 1.80 0.00 2.97
assign ((segid A and resid 54 and name HN )) ((segid A and resid 54 and name HG* )) 1.80 0.00 2.38
assign ((segid A and resid 55 and name HA* )) ((segid A and resid 56 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 56 and name HA )) ((segid A and resid 56 and name HD* )) 1.80 0.00 1.36
assign ((segid A and resid 56 and name HA )) ((segid A and resid 57 and name HN )) 1.80 0.00 1.81
assign ((segid A and resid 56 and name HB1 )) ((segid A and resid 56 and name HD1* )) 1.80 0.00 2.35
assign ((segid A and resid 56 and name HB1 )) ((segid A and resid 56 and name HD2* )) 1.80 0.00 2.35
assign ((segid A and resid 56 and name HB1 )) ((segid A and resid 57 and name HN )) 1.80 0.00 4.00
assign ((segid A and resid 56 and name HB2 )) ((segid A and resid 56 and name HD1* )) 1.80 0.00 2.35
assign ((segid A and resid 56 and name HB2 )) ((segid A and resid 56 and name HD2* )) 1.80 0.00 2.35
assign ((segid A and resid 56 and name HB2 )) ((segid A and resid 57 and name HN )) 1.80 0.00 4.00
assign ((segid A and resid 56 and name HD* )) ((segid A and resid 57 and name HN )) 1.80 0.00 4.18
assign ((segid A and resid 56 and name HN )) ((segid A and resid 56 and name HB* )) 1.80 0.00 1.95
assign ((segid A and resid 56 and name HN )) ((segid A and resid 56 and name HD* )) 1.80 0.00 2.26
assign ((segid A and resid 56 and name HN )) ((segid A and resid 56 and name HG )) 1.80 0.00 2.30
assign ((segid A and resid 56 and name HN )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.13
assign ((segid A and resid 57 and name HA )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 2.79
assign ((segid A and resid 57 and name HA )) ((segid A and resid 58 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 57 and name HB )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 1.87
assign ((segid A and resid 57 and name HB )) ((segid A and resid 58 and name HN )) 1.80 0.00 4.01
assign ((segid A and resid 57 and name HD1* )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.69
assign ((segid A and resid 57 and name HG2* )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 1.25
assign ((segid A and resid 57 and name HG2* )) ((segid A and resid 57 and name HG1* )) 1.80 0.00 1.45
assign ((segid A and resid 57 and name HG2* )) ((segid A and resid 58 and name HN )) 1.80 0.00 2.62
assign ((segid A and resid 57 and name HN )) ((segid A and resid 57 and name HB )) 1.80 0.00 2.36
assign ((segid A and resid 57 and name HN )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 2.33
assign ((segid A and resid 57 and name HN )) ((segid A and resid 57 and name HG1* )) 1.80 0.00 2.43
assign ((segid A and resid 57 and name HN )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 2.38
assign ((segid A and resid 58 and name HA )) ((segid A and resid 59 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 58 and name HB1 )) ((segid A and resid 59 and name HN )) 1.80 0.00 2.29
assign ((segid A and resid 58 and name HB2 )) ((segid A and resid 59 and name HB* )) 1.80 0.00 3.23
assign ((segid A and resid 58 and name HB2 )) ((segid A and resid 59 and name HN )) 1.80 0.00 2.29
assign ((segid A and resid 58 and name HN )) ((segid A and resid 59 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 59 and name HA )) ((segid A and resid 60 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 59 and name HB* )) ((segid A and resid 60 and name HN )) 1.80 0.00 1.89
assign ((segid A and resid 59 and name HN )) ((segid A and resid 59 and name HB* )) 1.80 0.00 1.53
assign ((segid A and resid 59 and name HN )) ((segid A and resid 60 and name HN )) 1.80 0.00 3.07
assign ((segid A and resid 60 and name HA )) ((segid A and resid 60 and name HD1* )) 1.80 0.00 2.40
assign ((segid A and resid 60 and name HA )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 1.86
assign ((segid A and resid 60 and name HA )) ((segid A and resid 61 and name HN )) 1.80 0.00 1.26
assign ((segid A and resid 60 and name HB1 )) ((segid A and resid 60 and name HD1* )) 1.80 0.00 2.04
assign ((segid A and resid 60 and name HB1 )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 2.37
assign ((segid A and resid 60 and name HB1 )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.22
assign ((segid A and resid 60 and name HB2 )) ((segid A and resid 60 and name HD1* )) 1.80 0.00 2.04
assign ((segid A and resid 60 and name HB2 )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 2.37
assign ((segid A and resid 60 and name HB2 )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.22
assign ((segid A and resid 60 and name HG )) ((segid A and resid 61 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 60 and name HN )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 2.40
assign ((segid A and resid 61 and name HA )) ((segid A and resid 61 and name HG1* )) 1.80 0.00 1.48
assign ((segid A and resid 61 and name HA )) ((segid A and resid 61 and name HG2* )) 1.80 0.00 1.73
assign ((segid A and resid 61 and name HA )) ((segid A and resid 62 and name HN )) 1.80 0.00 1.43
assign ((segid A and resid 61 and name HB )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.29
assign ((segid A and resid 61 and name HG1* )) ((segid A and resid 62 and name HN )) 1.80 0.00 1.75
assign ((segid A and resid 61 and name HN )) ((segid A and resid 61 and name HB )) 1.80 0.00 1.87
assign ((segid A and resid 61 and name HN )) ((segid A and resid 61 and name HG2* )) 1.80 0.00 1.35
assign ((segid A and resid 62 and name HA )) ((segid A and resid 62 and name HD* )) 1.80 0.00 2.46
assign ((segid A and resid 63 and name HA )) ((segid A and resid 64 and name HN )) 1.80 0.00 1.65
assign ((segid A and resid 63 and name HB1 )) ((segid A and resid 64 and name HN )) 1.80 0.00 2.50
assign ((segid A and resid 63 and name HB2 )) ((segid A and resid 64 and name HN )) 1.80 0.00 2.50
assign ((segid A and resid 63 and name HG* )) ((segid A and resid 64 and name HN )) 1.80 0.00 3.85
assign ((segid A and resid 64 and name HA )) ((segid A and resid 64 and name HD1* )) 1.80 0.00 2.40
assign ((segid A and resid 64 and name HA )) ((segid A and resid 64 and name HD2* )) 1.80 0.00 2.16
assign ((segid A and resid 64 and name HA )) ((segid A and resid 65 and name HN )) 1.80 0.00 1.94
assign ((segid A and resid 64 and name HB* )) ((segid A and resid 64 and name HD1* )) 1.80 0.00 1.36
assign ((segid A and resid 64 and name HB* )) ((segid A and resid 64 and name HD2* )) 1.80 0.00 1.51
assign ((segid A and resid 64 and name HB1 )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.15
assign ((segid A and resid 64 and name HB2 )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.15
assign ((segid A and resid 64 and name HD2* )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HN )) ((segid A and resid 64 and name HD1* )) 1.80 0.00 2.90
assign ((segid A and resid 64 and name HN )) ((segid A and resid 64 and name HD2* )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HN )) ((segid A and resid 64 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HN )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 65 and name HA )) ((segid A and resid 65 and name HG* )) 1.80 0.00 1.53
assign ((segid A and resid 65 and name HA )) ((segid A and resid 66 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 65 and name HB* )) ((segid A and resid 66 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 65 and name HG* )) ((segid A and resid 66 and name HN )) 1.80 0.00 2.93
assign ((segid A and resid 65 and name HN )) ((segid A and resid 65 and name HB* )) 1.80 0.00 1.50
assign ((segid A and resid 65 and name HN )) ((segid A and resid 65 and name HG* )) 1.80 0.00 2.80
assign ((segid A and resid 70 and name HA )) ((segid A and resid 71 and name HN )) 1.80 0.00 1.60
assign ((segid A and resid 70 and name HB* )) ((segid A and resid 71 and name HN )) 1.80 0.00 2.10
list of removed NOE constraints
====== TOTAL ======: 0
table of distance constraints violations
Residual Violations greater than 0.10
7-> ASP A 2 HB3 - ASN A 3 HN [ 1.80 4.70] 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 0.00 0.00 0.11 0.00 0.00 0.00 0.00 - 2 [ 0.02 .. 0.11]
20-> ASN A 3 HD22 - LEU A 56 HD* [ 1.80 4.98] 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.13 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.13]
21-> ASN A 3 HN - ASN A 3 HB3 [ 1.80 3.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
34-> ARG A 4 HB* - LEU A 56 HG [ 1.80 5.60] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.21 0.00 0.01 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.21]
50-> ARG A 4 HE - LEU A 56 HD* [ 1.80 3.98] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 - 4 [ 0.00 .. 0.15]
52-> ARG A 4 HE - LEU A 56 HD2* [ 1.80 5.00] 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.05 0.00 0.00 0.00 0.00 0.17 - 4 [ 0.05 .. 0.19]
58-> ARG A 4 HN - ARG A 4 HG2 [ 1.80 3.90] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
171-> THR A 10 HN - THR A 10 HG2* [ 1.80 3.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.11 0.00 0.05 0.04 0.00 0.08 0.00 0.04 0.00 - 6 [ 0.04 .. 0.11]
205-> SER A 13 HB3 - THR A 27 HA [ 1.80 4.88] 0.00 0.04 0.00 0.14 0.04 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.05 0.00 0.04 0.00 - 7 [ 0.01 .. 0.14]
338-> LYS A 21 HB2 - LYS A 21 HE* [ 1.80 4.30] 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
473-> THR A 27 HG2* - LEU A 32 HN [ 1.80 4.17] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
475-> THR A 27 HN - THR A 27 HG2* [ 1.80 3.62] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
490-> ILE A 28 HN - ILE A 28 HD1* [ 1.80 3.73] 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 - 2 [ 0.22 .. 0.23]
629-> GLU A 37 HG* - LEU A 56 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
630-> GLU A 37 HN - GLU A 37 HG* [ 1.80 4.04] 0.09 0.00 0.18 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.03 .. 0.18]
800-> PRO A 63 HB3 - LEU A 64 HN [ 1.80 4.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
811-> LEU A 64 HN - LEU A 64 HD1* [ 1.80 4.70] 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
815-> GLU A 65 HA - GLU A 65 HG* [ 1.80 3.33] 0.00 0.11 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.11]
817-> GLU A 65 HB* - HIS A 66 HN [ 1.80 4.00] 0.00 0.00 0.00 0.00 0.09 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.19]
818-> GLU A 65 HG* - HIS A 66 HN [ 1.80 4.73] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
821-> HIS A 70 HA - HIS A 71 HN [ 1.80 3.40] 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.05 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.03 .. 0.11]
822-> HIS A 70 HB* - HIS A 71 HN [ 1.80 3.90] 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.05 0.00 0.02 - 4 [ 0.02 .. 0.12]
-------------------------------------------
Number of Violations greater than 0.10 0 2 2 1 0 2 1 0 1 1 0 1 3 4 1 4 1 0 0 2
-------------------------------------------
---- Summary Of Residual Distance Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 0 2 1 1 0 2 1 0 1 0 0 1 3 3 1 3 1 0 0 2 1.10
0.2 - 0.5 ang: 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0.20
> 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 : 32 30 27 25 18 23 22 24 18 26 25 21 27 36 40 26 20 28 28 26 26.10
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 : 0.095 0.108 0.221 0.141 0.086 0.192 0.123 0.085 0.153 0.256 0.099 0.105 0.193 0.210 0.108 0.227 0.152 0.087 0.095 0.175 0.256
Max Intra Viol : 0.095 0.108 0.221 0.029 0.023 0.145 0.123 0.049 0.000 0.256 0.099 0.105 0.111 0.051 0.074 0.227 0.088 0.015 0.095 0.079 0.256
Max Seque Viol : 0.054 0.100 0.083 0.091 0.086 0.192 0.044 0.072 0.033 0.079 0.000 0.092 0.042 0.126 0.108 0.107 0.152 0.070 0.076 0.028 0.192
Max Medium Viol : 0.012 0.009 0.027 0.021 0.020 0.086 0.010 0.046 0.037 0.006 0.024 0.041 0.013 0.015 0.017 0.012 0.000 0.033 0.058 0.015 0.086
Max Long Viol : 0.080 0.083 0.093 0.141 0.049 0.045 0.040 0.085 0.153 0.063 0.094 0.081 0.193 0.210 0.069 0.134 0.087 0.087 0.079 0.175 0.210
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 0.001 0.001 0.001 0.00107
Avge Intra Viol : 0.001 0.000 0.002 0.000 0.000 0.001 0.001 0.000 0.000 0.002 0.001 0.001 0.001 0.000 0.000 0.002 0.001 0.000 0.001 0.001 0.00076
Avge Seque Viol : 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 0.00015
Avge Mediu Viol : 0.010 0.014 0.007 0.017 0.008 0.018 0.007 0.008 0.002 0.017 0.000 0.017 0.007 0.023 0.018 0.008 0.012 0.008 0.009 0.003 0.01072
Avge Long Viol : 0.001 0.002 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.002 0.001 0.002 0.003 0.002 0.001 0.001 0.001 0.002 0.001 0.00137
RMS Violation : 0.008 0.008 0.012 0.008 0.005 0.010 0.005 0.007 0.007 0.011 0.007 0.007 0.011 0.012 0.008 0.012 0.008 0.006 0.008 0.008 0.00870
RMS Intra : 0.009 0.007 0.019 0.002 0.002 0.011 0.008 0.004 0.000 0.017 0.007 0.007 0.009 0.004 0.005 0.017 0.009 0.001 0.007 0.006 0.00908
RMS Sequential : 0.001 0.001 0.002 0.001 0.001 0.006 0.001 0.003 0.003 0.000 0.002 0.003 0.001 0.001 0.002 0.001 0.000 0.003 0.004 0.001 0.00235
RMS Medium range : 0.020 0.033 0.022 0.036 0.024 0.052 0.015 0.021 0.009 0.031 0.000 0.034 0.016 0.047 0.036 0.028 0.040 0.023 0.023 0.009 0.02889
RMS Long range : 0.008 0.008 0.009 0.009 0.006 0.005 0.004 0.008 0.011 0.006 0.009 0.006 0.014 0.015 0.009 0.009 0.006 0.008 0.009 0.011 0.00888
Final --global-- Summary for 20 models, 862 NOEs/model, 17240 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 18.463
Summ sq. viol : 1.305
Maximum viol : 0.256
Average viol : 0.00107
RMSD viol : 0.00870
Std. Dev. viol : 0.00864
RMS Intra : 0.00908
RMS Seque : 0.00235
RMS Medi : 0.02889
RMS Long : 0.00888
table of dihedral angle constraints violations
4-> [PHE A 6] PSI 113.2 160.0 0.0 1.7 0.0 2.0 0.4 1.5 0.6 0.6 0.0 0.0 0.3 0.2 0.4 0.0 1.8 0.0 0.0 1.0 0.0 0.0 - 11 [ 0.0 .. 2.0]
10-> [LEU A 9] PSI 126.4 180.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.5 0.1 0.0 0.0 0.0 0.2 0.0 - 4 [ 0.0 .. 1.8]
16-> [LYS A 14] PSI 104.4 171.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3]
17-> [VAL A 15] PHI -104.2 -64.2 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.8 0.6 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.0]
20-> [GLN A 16] PSI -58.5 -18.5 0.4 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.2 1.7 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 1.7]
22-> [PHE A 18] PSI 105.7 145.7 0.4 3.2 1.3 1.1 1.5 0.6 0.4 0.3 0.0 1.6 1.3 1.4 1.3 0.5 0.0 0.9 2.7 3.4 0.3 0.0 - 17 [ 0.0 .. 3.4]
23-> [ASP A 19] PHI -132.1 -31.5 1.1 2.2 1.2 0.0 0.0 1.8 0.6 0.0 0.0 0.0 0.5 0.0 0.4 0.0 0.6 0.4 2.2 2.5 0.0 0.0 - 11 [ 0.0 .. 2.5]
34-> [GLU A 26] PSI 101.7 141.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.1]
35-> [THR A 27] PHI -123.4 -68.8 2.3 0.4 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 1.8 1.7 0.0 0.0 0.0 - 6 [ 0.0 .. 2.3]
36-> [THR A 27] PSI 150.2 -165.2 0.0 1.8 4.5 0.8 0.0 0.0 0.0 0.0 0.0 2.6 3.8 3.1 0.0 0.0 0.0 1.0 1.1 0.0 0.0 1.7 - 9 [ 0.0 .. 4.5]
39-> [LEU A 32] PHI -137.2 -97.2 2.2 0.0 0.8 0.0 2.3 0.2 0.8 0.8 0.8 0.0 0.6 1.2 4.0 0.4 0.0 0.0 0.0 0.6 0.0 0.0 - 12 [ 0.0 .. 4.0]
44-> [ILE A 34] PSI 111.3 151.3 0.0 0.0 0.0 0.7 0.0 0.9 0.0 0.0 0.0 0.0 1.7 0.8 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.7 - 7 [ 0.0 .. 1.7]
50-> [GLU A 37] PSI 135.4 178.6 0.7 0.4 0.0 0.0 0.0 0.0 0.6 0.0 0.1 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 1.7 - 6 [ 0.0 .. 1.7]
52-> [LEU A 39] PSI -70.2 69.8 3.4 3.5 6.2 3.2 3.3 3.4 2.2 2.3 3.1 3.4 2.8 3.6 5.5 2.7 2.5 1.9 3.9 4.0 1.5 3.6 - 20 [ 1.5 .. 6.2]
54-> [GLN A 50] PSI 110.7 159.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 - 3 [ 0.0 .. 1.1]
58-> [GLU A 52] PSI 107.2 162.8 0.0 0.0 0.0 0.7 0.0 0.9 0.6 0.0 1.2 0.0 0.0 0.2 1.9 0.0 0.0 0.0 0.0 0.5 1.2 0.0 - 8 [ 0.0 .. 1.9]
62-> [GLU A 54] PSI 126.0 -178.4 0.0 1.5 0.0 0.4 0.0 0.2 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.4 - 6 [ 0.0 .. 1.5]
68-> [ILE A 57] PSI 110.9 150.9 0.0 0.0 1.1 0.0 0.0 0.0 0.5 0.0 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 .. 1.1]
72-> [LEU A 60] PSI 114.7 -175.1 0.0 0.0 2.3 0.0 0.7 0.0 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 2.3]
74-> [VAL A 61] PSI 113.3 160.9 1.5 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.5]
75-> [TYR A 62] PHI -144.2 -104.2 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 1.3 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.3]
76-> [TYR A 62] PSI 99.7 160.3 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 1.2 0.0 1.7 0.0 0.0 2.9 0.0 - 5 [ 0.0 .. 2.9]
---- 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 : 5 6 7 4 3 3 1 1 2 5 4 6 4 6 3 6 5 4 3 3 4.05
> 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 : 9 12 11 9 10 11 12 9 9 12 9 13 11 12 11 10 7 8 10 8 10.15
Minimum Violation : -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.1 -571.10
Maximum Violation : 3.4 3.5 6.2 3.2 3.3 3.4 2.2 2.3 3.1 3.4 3.8 3.6 5.5 2.7 2.5 1.9 3.9 4.0 2.9 3.6 6.15
Max PHI Viol : 2.3 2.2 1.2 0.2 2.3 1.8 0.8 1.0 0.8 1.0 0.6 1.4 4.0 1.3 0.9 1.8 2.2 2.5 0.7 0.5 4.00
Max PSI Viol : 3.4 3.5 6.2 3.2 3.3 3.4 2.2 2.3 3.1 3.4 3.8 3.6 5.5 2.7 2.5 1.9 3.9 4.0 2.9 3.6 6.15
Average Violation : 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.0 0.0 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.077
Avge PHI Viol : 0.389 0.289 0.255 0.063 0.320 0.274 0.213 0.262 0.198 0.271 0.204 0.264 0.366 0.307 0.267 0.246 0.341 0.299 0.150 0.147 0.267
Avge PSI Viol : 0.407 0.581 0.675 0.532 0.428 0.454 0.406 0.327 0.375 0.558 0.510 0.574 0.493 0.481 0.464 0.467 0.465 0.511 0.429 0.460 0.486
RMS Violation : 0.409 0.494 0.681 0.370 0.370 0.362 0.238 0.235 0.284 0.430 0.426 0.457 0.583 0.343 0.314 0.310 0.461 0.490 0.292 0.359 0.410
RMS PHI Viol : 0.545 0.372 0.250 0.024 0.407 0.311 0.173 0.229 0.150 0.230 0.149 0.305 0.657 0.296 0.225 0.303 0.461 0.423 0.123 0.093 0.325
RMS PSI Viol : 0.610 0.916 1.338 0.739 0.618 0.654 0.443 0.409 0.549 0.830 0.839 0.861 0.964 0.619 0.586 0.541 0.799 0.883 0.572 0.711 0.753
Final --global-- Summary for 20 models, 152 ACOs/model, 3040 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 233.94
Summ. Sq. Viol. : 511.68
Max. Viol. : 6.154
Avg. Viol. : 0.07695
RMS Viol. : 0.41026
Std. Dev. Viol. : 0.40298
JPEG image for inter-residue distance constraints per residue plot
S(phi)|S(psi) V/S Residue number
Text output from PDBStat of phi psi order
# CHAIN .GT. SUM.GT.
# RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6
# -----------------------------------------------------------------------------------
MET M 1 0.049 0.513 0.284 0.271
ASP M 2 0.570 0.346 0.318 0.521
ASN M 3 0.577 0.703 0.561 0.336
ARG M 4 0.727 0.948 0.450 0.983 0.173 0.742 0.997
GLN M 5 0.986 0.986 0.921 0.874 0.509 5 5
PHE M 6 0.989 0.994 0.754 0.384 6 6
LEU M 7 0.990 0.988 0.999 1.000 7 7
SER M 8 0.991 0.987 0.427 8 8
LEU M 9 0.985 0.985 0.997 0.999 9 9
THR M 10 0.985 0.919 0.659 10 10
GLY M 11 0.919 0.967 11 11
VAL M 12 0.971 0.992 1.000 12 12
SER M 13 0.988 0.981 0.304 13 13
LYS M 14 0.990 0.987 0.586 0.855 0.546 0.076 14 14
VAL M 15 0.994 0.986 0.128 15 15
GLN M 16 0.990 0.987 0.987 0.741 0.715 16 16
SER M 17 0.982 0.986 0.373 17 17
PHE M 18 0.984 1.000 0.995 0.700 18 18
ASP M 19 0.998 0.996 0.664 0.316 19 19
PRO M 20 0.994 0.981 0.954 0.881 20 20
LYS M 21 0.980 0.975 0.764 0.766 0.463 0.338 21 21
GLU M 22 0.993 0.981 0.901 0.769 0.393 22 22
ILE M 23 0.986 0.996 0.999 0.790 23 23
LEU M 24 0.996 0.997 0.998 0.998 24 24
LEU M 25 0.994 0.993 0.999 0.999 25 25
GLU M 26 0.994 0.994 0.991 0.749 0.595 26 26
THR M 27 0.982 0.954 0.383 27 27
ILE M 28 0.797 0.149 0.792 0.780
GLN M 29 0.180 0.940 0.325 0.709 0.244
GLY M 30 0.938 0.940 30 30
VAL M 31 0.961 0.986 0.999 31 31
LEU M 32 0.985 0.995 0.999 0.999 32 32
SER M 33 0.997 0.995 0.565 33 33
ILE M 34 0.993 0.998 0.997 0.594 34 34
LYS M 35 0.991 0.996 0.606 0.883 0.394 0.193 35 35
GLY M 36 0.995 0.992 36 36
GLU M 37 0.973 0.992 0.444 0.588 0.373 37 37
LYS M 38 0.998 0.968 0.666 0.541 0.643 0.050 38 38
LEU M 39 0.983 1.000 0.936 0.998 39 39
GLY M 40 0.938 0.866 40
ILE M 41 0.603 0.443 0.272 0.426
LYS M 42 0.482 0.249 0.521 0.595 0.544 0.364
HIS M 43 0.511 0.703 0.253 0.184
LEU M 44 0.754 0.210 0.269 0.545
ASP M 45 0.596 0.326 0.358 0.243
LEU M 46 0.231 0.441 0.590 0.564
LYS M 47 0.381 0.835 0.308 0.588 0.634 0.080
ALA M 48 0.770 0.696
GLY M 49 0.719 0.861
GLN M 50 0.927 0.970 0.164 0.927 0.296 50 50
VAL M 51 0.977 0.987 0.586 51 51
GLU M 52 0.986 0.981 0.424 0.729 0.379 52 52
VAL M 53 0.986 0.976 0.349 53 53
GLU M 54 0.989 0.975 0.476 0.612 0.410 54 54
GLY M 55 0.981 0.990 55 55
LEU M 56 0.994 0.984 0.992 0.656 56 56
ILE M 57 0.990 0.977 0.998 0.999 57 57
ASP M 58 0.985 0.991 0.656 0.618 58 58
ALA M 59 0.980 0.987 59 59
LEU M 60 0.993 0.992 0.961 0.722 60 60
VAL M 61 0.993 0.992 1.000 61 61
TYR M 62 0.981 0.966 0.925 0.913 62 62
PRO M 63 0.983 0.737 0.937 0.890
LEU M 64 0.723 0.329 0.139 0.459
GLU M 65 0.261 0.153 0.515 0.399 0.334
HIS M 66 0.431 0.416 0.391 0.304
HIS M 67 0.682 0.425 0.254 0.203
HIS M 68 0.416 0.102 0.326 0.427
HIS M 69 0.617 0.228 0.268 0.045
HIS M 70 0.311 0.352 0.489 0.183
HIS M 71 0.812 0.459 0.330 0.243
MET M 82 0.454 0.354 0.338 0.298 0.508
ASP M 83 0.406 0.320 0.292 0.472
ASN M 84 0.716 0.846 0.352 0.071
ARG M 85 0.895 0.948 0.612 0.986 0.433 0.806 0.998 85
GLN M 86 0.973 0.994 0.932 0.932 0.394 86 86
PHE M 87 0.998 0.997 0.991 0.267 87 87
LEU M 88 0.996 0.994 1.000 0.999 88 88
SER M 89 0.994 0.993 0.373 89 89
LEU M 90 0.984 0.986 0.993 0.957 90 90
THR M 91 0.989 0.814 0.612 91
GLY M 92 0.848 0.971 92
VAL M 93 0.974 0.979 0.999 93 93
SER M 94 0.982 0.988 0.269 94 94
LYS M 95 0.982 0.981 0.620 0.921 0.569 0.185 95 95
VAL M 96 0.996 0.977 0.102 96 96
GLN M 97 0.984 0.980 0.992 0.755 0.539 97 97
SER M 98 0.973 0.991 0.400 98 98
PHE M 99 0.983 0.999 0.992 0.706 99 99
ASP M 100 0.999 0.993 0.614 0.150 100 100
PRO M 101 0.994 0.961 0.967 0.929 101 101
LYS M 102 0.954 0.984 0.840 0.800 0.622 0.194 102 102
GLU M 103 0.983 0.997 0.928 0.606 0.357 103 103
ILE M 104 0.986 0.995 0.999 0.854 104 104
LEU M 105 0.994 0.994 0.998 0.999 105 105
LEU M 106 0.983 0.983 0.919 0.917 106 106
GLU M 107 0.987 0.989 0.991 0.736 0.708 107 107
THR M 108 0.973 0.975 0.565 108 108
ILE M 109 0.873 0.331 0.879 0.915
GLN M 110 0.356 0.972 0.373 0.772 0.089
GLY M 111 0.963 0.972 111 111
VAL M 112 0.979 0.988 0.999 112 112
LEU M 113 0.987 0.988 0.927 0.812 113 113
SER M 114 0.993 0.994 0.581 114 114
ILE M 115 0.995 0.997 0.994 0.565 115 115
LYS M 116 0.992 0.993 0.706 0.799 0.268 0.226 116 116
GLY M 117 0.993 0.990 117 117
GLU M 118 0.971 0.987 0.044 0.369 0.399 118 118
LYS M 119 0.996 0.966 0.619 0.635 0.731 0.165 119 119
LEU M 120 0.992 1.000 0.997 0.997 120 120
GLY M 121 0.882 0.821 121
ILE M 122 0.140 0.464 0.443 0.323
LYS M 123 0.445 0.161 0.259 0.771 0.770 0.053
HIS M 124 0.707 0.702 0.220 0.198
LEU M 125 0.733 0.273 0.409 0.517
ASP M 126 0.644 0.528 0.391 0.327
LEU M 127 0.624 0.551 0.436 0.458
LYS M 128 0.572 0.375 0.407 0.348 0.668 0.151
ALA M 129 0.318 0.794
GLY M 130 0.789 0.837
GLN M 131 0.964 0.970 0.222 0.933 0.361 131 131
VAL M 132 0.970 0.988 0.803 132 132
GLU M 133 0.975 0.989 0.480 0.760 0.385 133 133
VAL M 134 0.985 0.983 0.154 134 134
GLU M 135 0.992 0.993 0.346 0.804 0.396 135 135
GLY M 136 0.989 0.985 136 136
LEU M 137 0.989 0.987 0.995 0.559 137 137
ILE M 138 0.992 0.981 0.999 0.999 138 138
ASP M 139 0.980 0.987 0.523 0.274 139 139
ALA M 140 0.989 0.988 140 140
LEU M 141 0.990 0.993 0.976 0.468 141 141
VAL M 142 0.994 0.994 1.000 142 142
TYR M 143 0.984 0.967 0.965 0.750 143 143
PRO M 144 0.969 0.782 0.941 0.888
LEU M 145 0.564 0.096 0.534 0.456
GLU M 146 0.657 0.251 0.492 0.340 0.306
HIS M 147 0.770 0.466 0.221 0.181
HIS M 148 0.632 0.565 0.160 0.527
HIS M 149 0.585 0.215 0.281 0.284
HIS M 150 0.338 0.313 0.354 0.195
HIS M 151 0.483 0.323 0.234 0.161
HIS M 152 0.652 0.491 0.335
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 `DHR8C_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 1 is: 0.459
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 2 is: 0.481
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 3 is: 0.526
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 4 is: 0.365
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 5 is: 0.544
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 6 is: 0.385
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 7 is: 0.416
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 8 is: 0.465
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 9 is: 0.382
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 10 is: 0.488
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 11 is: 0.446
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 12 is: 0.421
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 13 is: 0.500
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 14 is: 0.411
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 15 is: 0.477
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 16 is: 0.455
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 17 is: 0.504
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 18 is: 0.349 (*)
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 19 is: 0.478
> Kabsch RMSD of backbone atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 20 is: 0.397
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[5..27],[30..39],[50..62],[86..90],[93..108],[111..120],[131..143], is: 0.447
> Range of RMSD values to reference struct. is 0.349 to 0.544
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 1 is: 0.916
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 2 is: 0.890
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 3 is: 0.993
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 4 is: 0.798
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 5 is: 1.048
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 6 is: 0.774
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 7 is: 0.846
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 8 is: 0.934
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 9 is: 0.821
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 10 is: 0.956
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 11 is: 0.857
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 12 is: 0.843
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 13 is: 0.909
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 14 is: 0.931
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 15 is: 0.937
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 16 is: 0.885
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 17 is: 0.882
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 18 is: 0.757 (*)
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 19 is: 0.891
> Kabsch RMSD of heavy atoms in res. M[5..27],M[30..39],M[50..62],M[86..90],M[93..108],M[111..120],M[131..143],for model 20 is: 0.869
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[5..27],[30..39],[50..62],[86..90],[93..108],[111..120],[131..143], is: 0.887
> Range of RMSD values to reference struct. is 0.757 to 1.048
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..152],for model 1 is: 2.263
> Kabsch RMSD of backb atoms in res. *[1..152],for model 2 is: 2.460
> Kabsch RMSD of backb atoms in res. *[1..152],for model 3 is: 2.759
> Kabsch RMSD of backb atoms in res. *[1..152],for model 4 is: 2.391
> Kabsch RMSD of backb atoms in res. *[1..152],for model 5 is: 3.113
> Kabsch RMSD of backb atoms in res. *[1..152],for model 6 is: 3.679
> Kabsch RMSD of backb atoms in res. *[1..152],for model 7 is: 2.976
> Kabsch RMSD of backb atoms in res. *[1..152],for model 8 is: 2.989
> Kabsch RMSD of backb atoms in res. *[1..152],for model 9 is: 2.188
> Kabsch RMSD of backb atoms in res. *[1..152],for model 10 is: 2.754
> Kabsch RMSD of backb atoms in res. *[1..152],for model 11 is: 2.524
> Kabsch RMSD of backb atoms in res. *[1..152],for model 12 is: 2.578
> Kabsch RMSD of backb atoms in res. *[1..152],for model 13 is: 2.288
> Kabsch RMSD of backb atoms in res. *[1..152],for model 14 is: 2.194
> Kabsch RMSD of backb atoms in res. *[1..152],for model 15 is: 2.075 (*)
> Kabsch RMSD of backb atoms in res. *[1..152],for model 16 is: 3.110
> Kabsch RMSD of backb atoms in res. *[1..152],for model 17 is: 3.028
> Kabsch RMSD of backb atoms in res. *[1..152],for model 18 is: 2.477
> Kabsch RMSD of backb atoms in res. *[1..152],for model 19 is: 2.705
> Kabsch RMSD of backb atoms in res. *[1..152],for model 20 is: 2.608
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..152], is: 2.658
> Range of RMSD values to reference struct. is 2.075 to 3.679
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 1 is: 3.117
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 2 is: 3.361
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 3 is: 3.672
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 4 is: 3.142
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 5 is: 3.962
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 6 is: 4.528
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 7 is: 3.771
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 8 is: 3.833
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 9 is: 2.939
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 10 is: 3.590
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 11 is: 3.399
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 12 is: 3.392
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 13 is: 3.062
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 14 is: 3.022
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 15 is: 2.927 (*)
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 16 is: 3.943
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 17 is: 3.949
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 18 is: 3.221
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 19 is: 3.531
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 20 is: 3.413
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..152], is: 3.489
> Range of RMSD values to reference struct. is 2.927 to 4.528
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 2.7 0.5 0.5
All heavy atoms 3.5 0.9 0.9
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 >>>----------+
| |
| DHR8C_NMR_em_bcr3_020.rin 0.0 1880 residues |
| |
+| Ramachandran plot: 85.4% core 14.5% allow 0.1% gener 0.0% disall |
| |
+| All Ramachandrans: 37 labelled residues (out of1880) |
+| Chi1-chi2 plots: 21 labelled residues (out of1140) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
5 -0.68
6 -0.37
7 -0.32
8 -0.68
9 -0.44
10 -0.37
11 -0.65
12 -0.46
13 -0.81
14 -1.22
15 -0.05
16 -0.61
17 -0.62
18 -0.88
19 -1.33
20 -1.31
21 -1.55
22 -2.35
23 0.20
24 -0.77
25 -0.17
26 -0.87
27 -1.47
30 -0.73
31 0.01
32 -0.22
33 -1.42
34 -0.21
35 -0.26
36 -1.30
37 -0.70
38 -1.61
39 -2.15
40 -1.54
50 -0.44
51 0.02
52 -1.02
53 0.03
54 -0.63
55 -0.58
56 -1.98
57 -0.66
58 -1.31
59 -0.63
60 -0.40
61 0.19
62 -0.90
85 -1.24
86 -0.40
87 -0.37
88 -0.43
89 -0.79
90 -0.34
91 -0.27
92 -0.88
93 -0.62
94 -1.01
95 -1.27
96 -0.25
97 -0.75
98 -0.81
99 -0.92
100 -1.29
101 -1.67
102 -1.63
103 -1.92
104 0.30
105 -0.88
106 -0.21
107 -0.88
108 -1.34
111 -0.40
112 0.05
113 -0.24
114 -1.28
115 -0.22
116 -0.26
117 -1.31
118 -0.74
119 -1.39
120 -2.30
131 -0.48
132 -0.22
133 -1.14
134 -0.05
135 -0.64
136 -0.45
137 -1.99
138 -0.67
139 -1.03
140 -0.64
141 -0.44
142 0.18
143 -0.93
#Reported_Model_Average -0.773
#Overall_Average_Reported -0.773
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
5 0.09
6 -0.07
7 0.07
8 -0.45
9 -0.03
10 -0.13
11 -0.65
12 -0.07
13 -0.56
14 -0.43
15 -0.25
16 0.09
17 -0.37
18 -0.26
19 -1.29
20 -1.31
21 -0.48
22 -1.02
23 0.35
24 0.05
25 0.36
26 -0.32
27 -0.99
30 -0.73
31 0.11
32 0.14
33 -0.86
34 -0.03
35 0.11
36 -1.30
37 -0.30
38 -0.78
39 -1.56
40 -1.54
50 -0.12
51 -0.06
52 -0.37
53 -0.10
54 -0.79
55 -0.58
56 -1.12
57 -0.54
58 -0.99
59 -0.63
60 -0.09
61 0.26
62 -1.87
85 -0.42
86 0.19
87 -0.23
88 0.02
89 -0.54
90 -0.08
91 -0.14
92 -0.88
93 -0.19
94 -0.65
95 -0.44
96 -0.29
97 0.01
98 -0.48
99 -0.28
100 -1.26
101 -1.67
102 -0.52
103 -0.89
104 0.37
105 0.01
106 0.23
107 -0.45
108 -0.80
111 -0.40
112 0.19
113 -0.08
114 -0.79
115 -0.26
116 0.19
117 -1.31
118 -0.51
119 -0.68
120 -1.65
131 -0.03
132 -0.47
133 -0.36
134 -0.12
135 -0.63
136 -0.45
137 -1.23
138 -0.50
139 -1.05
140 -0.64
141 -0.44
142 0.28
143 -2.02
#Reported_Model_Average -0.465
#Overall_Average_Reported -0.465
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
5 0.10 -0.87 -0.84 -0.87 -0.87 -0.87 -0.87 0.10 -0.87 -0.87 -0.87 -0.84 0.10 -0.84 -0.87 -0.87 -0.84 -0.87 -0.87 -0.87
6 -0.84 -0.84 0.71 0.71 0.71 -0.84 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 0.71 0.71 -0.84 -0.84 -0.84 0.71 -0.84
7 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
8 0.59 0.17 0.59 0.59 0.59 0.17 0.59 0.59 0.17 0.59 0.59 0.17 0.59 0.59 0.59 0.17 0.59 0.17 0.59 0.59
9 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
10 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 0.08 0.55 0.08 0.55 0.55
11 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
12 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
13 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 0.34 0.34 0.17 0.34 0.34
14 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
15 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
16 -0.57 0.25 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.87 -0.57 -0.57
17 0.34 0.17 0.34 0.17 0.17 0.34 0.17 0.34 0.34 0.17 0.17 0.17 0.17 0.34 0.17 0.34 0.17 0.17 0.17 0.34
18 -1.29 -0.84 -1.29 -1.29 1.04 -0.84 -1.29 -1.29 1.04 -0.84 -1.29 -1.29 -1.29 -1.29 -1.29 0.71 -1.29 -1.29 0.71 -1.29
19 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.51 0.51
20 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44
21 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10 0.47
22 -0.59 -0.59 -0.46 -0.59 0.28 0.28 0.28 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.46 0.28 -0.59 -0.59 0.28 0.28
23 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
24 0.29 0.29 -0.33 -0.68 -0.68 0.29 0.29 0.29 0.29 0.29 -0.33 0.29 0.29 0.29 0.29 -0.68 0.29 -0.68 0.29 -0.68
25 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
26 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28
27 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
30 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
31 -0.09 -0.74 -0.09 -0.74 -0.74 -0.09 -0.74 -0.40 -0.74 -0.74 0.66 -0.09 -0.74 -0.74 -0.74 -0.40 -0.74 -0.40 -0.74 -0.74
32 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
33 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
34 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
35 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.47 -0.72 0.47 0.08 0.47 0.47 0.47 0.47 0.08 0.08
36 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
37 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 -0.59 0.28 0.28 0.28 0.28
38 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
39 0.77 0.77 0.77 0.77 0.77 0.77 1.06 0.77 0.77 0.77 1.06 0.77 0.77 1.06 0.77 0.77 0.77 0.77 0.77 0.77
40 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
50 0.25 -0.57 0.25 -0.57 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
51 1.00 1.00 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 -0.09
52 -0.59 -0.59 -1.13 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 -0.46 -0.59 0.28 -0.59 0.28 0.28 0.28
53 1.00 1.00 0.66 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
54 -0.46 -0.59 0.28 0.28 -1.13 0.28 0.28 0.28 -0.46 -0.46 0.28 -0.46 -0.46 0.28 0.28 -0.46 -0.59 0.28 0.28 -0.46
55 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
56 -0.68 -0.33 0.29 -0.68 -0.68 -0.68 -0.68 -0.68 -0.33 -0.68 0.29 -0.68 0.29 -0.68 -0.33 0.29 0.29 -0.68 -0.68 -0.68
57 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
58 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.23 0.51 0.51 0.51 0.51 0.34 0.34 0.34 0.51 0.34 0.34 0.51
59 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
60 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
61 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74
62 1.14 1.25 1.25 1.14 1.14 1.25 1.25 1.25 1.25 1.25 1.25 1.14 1.14 1.14 1.25 1.14 1.14 1.25 1.14 1.25
85 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.71 0.71 0.71 0.71 -0.41 0.71 0.71 0.24 0.24
86 -0.87 -0.87 -0.87 -0.87 0.10 -0.87 -0.87 -0.87 0.10 -0.87 -0.87 -0.87 -0.87 0.10 -0.87 -0.87 -0.84 -0.87 -0.87 -0.84
87 -0.84 -0.84 -0.84 0.71 0.71 -0.84 0.71 -0.84 -0.84 0.71 -0.84 -0.84 0.71 -0.84 0.71 0.71 -0.84 0.71 -0.84 0.71
88 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
89 0.17 0.17 0.59 0.17 0.17 0.59 0.17 0.59 0.59 0.59 0.59 0.17 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17
90 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
91 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
92 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
93 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
94 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.34 0.17
95 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
96 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 0.66 -0.09 -0.09
97 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 0.25 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.87 -0.57 -0.57 -0.57 -0.57 -0.57
98 0.17 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.17 0.17 0.34 0.17 0.34 0.17 0.34 0.17 0.34
99 0.71 -1.29 0.71 -1.29 0.71 -1.29 -1.29 -0.84 -1.29 -1.29 1.04 -1.29 -0.84 1.04 1.04 -1.29 0.71 1.04 -1.29 -1.29
100 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
101 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.25 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44
102 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47
103 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 -0.59 0.28 -0.59 -0.59 0.28 0.28 0.28 -0.59 -0.59 -0.59 0.28 0.28
104 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93
105 -0.68 0.29 -0.68 0.29 0.29 0.29 0.29 0.29 -0.68 0.29 0.29 0.29 0.29 -0.33 -0.68 0.29 -0.68 0.29 0.29 -0.33
106 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
107 0.28 0.28 0.28 -0.46 -0.46 -0.46 0.28 0.28 0.28 -0.46 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.28 0.28
108 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
111 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
112 -0.74 -0.74 -0.74 -0.74 -0.09 -0.09 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.40 -0.74 -0.74 -0.74 -0.09
113 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
114 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
115 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
116 -0.72 0.08 0.47 0.47 0.08 0.08 0.08 0.08 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 -0.72 0.47 0.47
117 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
118 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
119 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 -0.10 0.47 0.47 0.47 0.47
120 0.77 1.06 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 1.06 1.06 0.77 0.77 0.77 0.77 0.77 0.77 0.77
131 0.25 -0.57 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
132 1.00 1.00 0.66 1.00 -0.09 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 -0.09 1.00 1.00 -0.09 0.66 1.00 1.00 1.00
133 0.28 0.28 0.28 -0.59 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 -0.59 0.28 -0.46 0.28 -0.46 0.28 0.28 0.28 0.28
134 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 0.66 1.00 0.66 1.00 1.00 1.00
135 -0.59 -0.59 -0.59 -0.59 -1.13 -1.13 -0.59 -0.46 -0.59 -2.01 0.28 -1.13 -0.59 -0.59 -0.59 0.28 -1.13 -0.59 -0.59 -0.46
136 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
137 0.29 -0.68 -0.33 -0.33 -0.33 -0.33 -0.68 -0.68 -0.68 0.29 -0.33 -0.33 -0.68 0.29 -0.68 -0.68 -0.68 -0.68 0.29 -0.68
138 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.93
139 0.34 0.23 0.51 0.51 0.51 0.23 0.51 0.23 0.51 0.51 0.51 0.51 0.34 0.23 0.34 0.51 0.23 0.51 0.51 0.51
140 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
141 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
142 -0.74 -0.09 -0.74 -0.74 -0.09 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74
143 1.14 1.25 1.14 1.25 1.25 1.14 1.25 1.14 1.25 1.14 1.25 1.14 1.25 1.25 1.14 1.14 1.25 1.25 1.14 1.25
#Reported_Model_Average 0.429 0.401 0.423 0.399 0.477 0.442 0.446 0.448 0.437 0.406 0.463 0.394 0.433 0.466 0.457 0.415 0.397 0.422 0.469 0.418
#Overall_Average_Reported 0.432
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
5 0.10 -0.87 -0.84 -0.87 -0.87 -0.87 -0.87 0.10 -0.87 -0.87 -0.87 -0.84 0.10 -0.84 -0.87 -0.87 -0.84 -0.87 -0.87 -0.87
6 -0.84 -0.84 0.71 0.71 0.71 -0.84 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 0.71 0.71 -0.84 -0.84 -0.84 0.71 -0.84
7 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
8 0.59 0.17 0.59 0.59 0.59 0.17 0.59 0.59 0.17 0.59 0.59 0.17 0.59 0.59 0.59 0.17 0.59 0.17 0.59 0.59
9 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
10 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 0.08 0.55 0.08 0.55 0.55
11 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
12 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
13 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 0.34 0.34 0.17 0.34 0.34
14 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
15 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
16 -0.57 0.25 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.87 -0.57 -0.57
17 0.34 0.17 0.34 0.17 0.17 0.34 0.17 0.34 0.34 0.17 0.17 0.17 0.17 0.34 0.17 0.34 0.17 0.17 0.17 0.34
18 -1.29 -0.84 -1.29 -1.29 1.04 -0.84 -1.29 -1.29 1.04 -0.84 -1.29 -1.29 -1.29 -1.29 -1.29 0.71 -1.29 -1.29 0.71 -1.29
19 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.51 0.51
20 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44
21 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10 0.47
22 -0.59 -0.59 -0.46 -0.59 0.28 0.28 0.28 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.46 0.28 -0.59 -0.59 0.28 0.28
23 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
24 0.29 0.29 -0.33 -0.68 -0.68 0.29 0.29 0.29 0.29 0.29 -0.33 0.29 0.29 0.29 0.29 -0.68 0.29 -0.68 0.29 -0.68
25 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
26 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28
27 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
30 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
31 -0.09 -0.74 -0.09 -0.74 -0.74 -0.09 -0.74 -0.40 -0.74 -0.74 0.66 -0.09 -0.74 -0.74 -0.74 -0.40 -0.74 -0.40 -0.74 -0.74
32 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
33 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
34 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
35 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.47 -0.72 0.47 0.08 0.47 0.47 0.47 0.47 0.08 0.08
36 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
37 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 -0.59 0.28 0.28 0.28 0.28
38 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
39 0.77 0.77 0.77 0.77 0.77 0.77 1.06 0.77 0.77 0.77 1.06 0.77 0.77 1.06 0.77 0.77 0.77 0.77 0.77 0.77
40 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
50 0.25 -0.57 0.25 -0.57 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
51 1.00 1.00 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 -0.09
52 -0.59 -0.59 -1.13 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 -0.46 -0.59 0.28 -0.59 0.28 0.28 0.28
53 1.00 1.00 0.66 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
54 -0.46 -0.59 0.28 0.28 -1.13 0.28 0.28 0.28 -0.46 -0.46 0.28 -0.46 -0.46 0.28 0.28 -0.46 -0.59 0.28 0.28 -0.46
55 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
56 -0.68 -0.33 0.29 -0.68 -0.68 -0.68 -0.68 -0.68 -0.33 -0.68 0.29 -0.68 0.29 -0.68 -0.33 0.29 0.29 -0.68 -0.68 -0.68
57 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
58 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.23 0.51 0.51 0.51 0.51 0.34 0.34 0.34 0.51 0.34 0.34 0.51
59 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
60 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
61 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74
62 1.14 1.25 1.25 1.14 1.14 1.25 1.25 1.25 1.25 1.25 1.25 1.14 1.14 1.14 1.25 1.14 1.14 1.25 1.14 1.25
85 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.71 0.71 0.71 0.71 -0.41 0.71 0.71 0.24 0.24
86 -0.87 -0.87 -0.87 -0.87 0.10 -0.87 -0.87 -0.87 0.10 -0.87 -0.87 -0.87 -0.87 0.10 -0.87 -0.87 -0.84 -0.87 -0.87 -0.84
87 -0.84 -0.84 -0.84 0.71 0.71 -0.84 0.71 -0.84 -0.84 0.71 -0.84 -0.84 0.71 -0.84 0.71 0.71 -0.84 0.71 -0.84 0.71
88 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
89 0.17 0.17 0.59 0.17 0.17 0.59 0.17 0.59 0.59 0.59 0.59 0.17 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17
90 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
91 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
92 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
93 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
94 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.34 0.17
95 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
96 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 0.66 -0.09 -0.09
97 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 0.25 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.87 -0.57 -0.57 -0.57 -0.57 -0.57
98 0.17 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.17 0.17 0.34 0.17 0.34 0.17 0.34 0.17 0.34
99 0.71 -1.29 0.71 -1.29 0.71 -1.29 -1.29 -0.84 -1.29 -1.29 1.04 -1.29 -0.84 1.04 1.04 -1.29 0.71 1.04 -1.29 -1.29
100 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
101 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.25 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44
102 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47
103 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 -0.59 0.28 -0.59 -0.59 0.28 0.28 0.28 -0.59 -0.59 -0.59 0.28 0.28
104 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93
105 -0.68 0.29 -0.68 0.29 0.29 0.29 0.29 0.29 -0.68 0.29 0.29 0.29 0.29 -0.33 -0.68 0.29 -0.68 0.29 0.29 -0.33
106 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
107 0.28 0.28 0.28 -0.46 -0.46 -0.46 0.28 0.28 0.28 -0.46 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.28 0.28
108 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
111 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
112 -0.74 -0.74 -0.74 -0.74 -0.09 -0.09 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.40 -0.74 -0.74 -0.74 -0.09
113 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
114 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
115 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
116 -0.72 0.08 0.47 0.47 0.08 0.08 0.08 0.08 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 -0.72 0.47 0.47
117 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
118 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
119 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 -0.10 0.47 0.47 0.47 0.47
120 0.77 1.06 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 1.06 1.06 0.77 0.77 0.77 0.77 0.77 0.77 0.77
131 0.25 -0.57 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
132 1.00 1.00 0.66 1.00 -0.09 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 -0.09 1.00 1.00 -0.09 0.66 1.00 1.00 1.00
133 0.28 0.28 0.28 -0.59 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 -0.59 0.28 -0.46 0.28 -0.46 0.28 0.28 0.28 0.28
134 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 0.66 1.00 0.66 1.00 1.00 1.00
135 -0.59 -0.59 -0.59 -0.59 -1.13 -1.13 -0.59 -0.46 -0.59 -2.01 0.28 -1.13 -0.59 -0.59 -0.59 0.28 -1.13 -0.59 -0.59 -0.46
136 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
137 0.29 -0.68 -0.33 -0.33 -0.33 -0.33 -0.68 -0.68 -0.68 0.29 -0.33 -0.33 -0.68 0.29 -0.68 -0.68 -0.68 -0.68 0.29 -0.68
138 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.93
139 0.34 0.23 0.51 0.51 0.51 0.23 0.51 0.23 0.51 0.51 0.51 0.51 0.34 0.23 0.34 0.51 0.23 0.51 0.51 0.51
140 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
141 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
142 -0.74 -0.09 -0.74 -0.74 -0.09 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74
143 1.14 1.25 1.14 1.25 1.25 1.14 1.25 1.14 1.25 1.14 1.25 1.14 1.25 1.25 1.14 1.14 1.25 1.25 1.14 1.25
#Reported_Model_Average 0.429 0.401 0.423 0.399 0.477 0.442 0.446 0.448 0.437 0.406 0.463 0.394 0.433 0.466 0.457 0.415 0.397 0.422 0.469 0.418
#Overall_Average_Reported 0.432
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
5.000 0 1 0 0 0 1 1 1 0 1 2 1 0 0 1 2 1 1 0 0
6.000 1 1 2 2 0 0 0 0 1 3 0 0 0 3 0 1 2 0 2 2
7.000 1 1 1 2 0 0 0 0 1 0 0 1 1 2 0 3 0 3 1 1
8.000 2 2 3 1 1 1 0 1 1 1 2 1 1 1 1 1 1 1 1 1
9.000 0 1 0 1 1 1 1 0 0 1 1 3 2 1 0 0 0 2 3 0
10.000 0 1 2 0 0 1 0 1 0 4 0 1 0 3 1 0 3 0 1 0
11.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
12.000 0 2 2 3 1 1 0 1 2 2 0 0 2 1 1 2 1 0 3 0
13.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 1 0 0 0 0 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0
15.000 0 0 0 0 1 0 0 0 0 2 0 1 0 0 0 0 1 0 0 0
16.000 2 0 1 0 1 0 0 2 0 0 1 1 0 0 1 0 0 0 0 0
17.000 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0
18.000 1 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0
19.000 1 2 0 2 2 0 0 2 0 1 2 0 1 2 0 0 1 1 0 0
20.000 0 1 0 1 1 0 0 1 0 0 2 0 0 1 0 0 1 0 0 0
21.000 2 1 0 0 4 0 0 0 0 0 2 3 0 1 0 1 2 1 0 3
22.000 1 1 1 2 0 1 0 2 0 2 1 2 2 2 1 1 1 2 2 0
23.000 2 1 0 0 1 0 0 1 1 2 2 1 0 0 1 1 1 0 0 0
24.000 1 0 2 0 1 1 1 0 0 1 1 3 0 0 2 0 0 0 0 0
25.000 0 0 0 0 3 1 2 3 2 3 2 4 0 0 3 2 2 3 4 0
26.000 1 0 1 0 1 1 0 2 0 0 1 0 2 0 0 0 0 0 0 0
27.000 0 0 0 0 1 0 0 0 0 0 0 1 2 2 3 0 0 0 2 0
30.000 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
31.000 0 0 1 0 0 0 0 0 0 1 2 1 1 0 2 2 1 0 1 0
32.000 0 0 1 3 5 0 2 2 0 0 0 2 1 2 6 1 0 2 5 0
33.000 2 1 1 1 1 2 2 1 1 1 1 2 1 0 2 0 1 1 0 0
34.000 3 1 1 2 2 2 1 2 2 1 1 2 2 1 5 5 2 1 1 1
35.000 0 1 1 1 1 0 0 0 0 0 1 1 0 3 2 0 0 0 1 1
36.000 2 1 2 1 3 2 1 0 0 2 1 0 1 2 0 0 1 0 0 1
37.000 1 0 1 0 0 1 0 0 1 0 0 1 1 1 1 1 0 1 0 1
38.000 1 0 2 0 0 1 0 1 0 0 0 0 1 0 1 1 0 1 2 1
39.000 2 0 0 0 1 1 0 1 1 2 2 1 1 0 1 1 3 0 1 1
40.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
50.000 0 0 1 0 0 0 0 2 0 1 0 0 0 4 1 0 1 1 1 0
51.000 0 3 1 2 0 1 1 1 3 0 2 3 0 0 0 4 0 2 1 0
52.000 1 3 4 0 1 1 0 0 0 0 0 0 0 3 0 1 0 0 2 0
53.000 0 0 0 6 1 2 0 0 0 1 1 1 0 1 1 3 1 3 1 1
54.000 0 0 0 0 0 0 0 0 0 1 1 3 1 0 0 0 0 1 1 2
55.000 0 0 1 0 0 1 1 2 0 0 1 0 0 1 1 1 0 1 1 0
56.000 4 1 3 0 0 1 1 0 3 0 1 0 3 4 3 0 0 2 1 5
57.000 2 2 0 1 1 1 0 1 0 1 0 0 1 1 0 0 1 0 0 0
58.000 0 0 1 0 1 2 1 0 0 1 0 0 0 3 0 0 0 1 0 0
59.000 2 1 1 3 2 0 0 0 0 0 1 1 1 3 2 1 0 0 0 1
60.000 2 3 1 0 1 0 2 2 3 1 2 1 1 2 3 4 1 1 1 1
61.000 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 0 0
62.000 3 3 2 5 4 1 1 2 1 1 1 2 0 4 4 2 0 2 2 0
85.000 0 0 0 0 0 0 0 0 0 0 0 2 2 3 1 0 1 0 1 2
86.000 0 0 1 0 0 0 0 0 0 2 1 1 0 0 5 0 0 0 0 0
87.000 0 1 2 0 0 0 0 0 0 2 0 1 1 1 1 0 2 0 0 0
88.000 0 0 0 1 0 0 0 1 2 0 1 0 1 1 0 3 0 3 0 1
89.000 2 1 1 2 1 1 0 1 1 2 1 2 1 1 1 1 2 2 1 1
90.000 2 2 0 3 0 1 0 0 0 1 0 2 0 1 3 1 0 2 0 0
91.000 1 0 2 1 1 0 1 1 1 3 1 0 2 2 0 1 3 2 2 0
92.000 0 1 0 0 0 0 1 0 0 0 2 1 0 0 1 0 0 1 0 0
93.000 0 1 0 0 0 1 1 3 1 0 0 1 1 0 0 2 0 0 0 0
94.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
95.000 1 0 0 0 1 0 3 1 0 0 0 1 1 2 1 0 0 1 0 0
96.000 0 0 0 0 0 0 3 0 1 0 1 0 1 1 2 0 1 0 0 0
97.000 0 0 1 2 2 1 0 1 0 1 0 0 1 1 0 1 0 2 0 1
98.000 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0
99.000 1 0 0 0 1 0 0 2 1 1 0 0 0 0 0 0 0 2 0 1
100.000 0 0 0 1 3 0 0 1 0 0 0 2 0 0 1 0 1 0 1 0
101.000 0 0 0 0 2 0 0 0 0 0 1 0 0 1 0 0 1 0 0 0
102.000 3 0 1 0 1 0 2 0 1 0 2 1 0 0 0 2 0 0 2 1
103.000 2 2 3 2 1 1 1 1 1 1 1 3 0 1 2 3 1 2 1 1
104.000 1 0 0 0 1 1 0 4 0 3 0 3 1 2 2 0 1 0 1 1
105.000 1 1 0 0 2 0 0 2 0 1 0 0 2 2 1 0 0 0 1 1
106.000 1 1 0 1 6 3 2 1 1 2 1 1 0 0 5 2 1 1 1 1
107.000 1 0 1 2 3 1 0 1 0 1 0 1 0 0 1 1 0 2 0 1
108.000 0 0 0 1 1 0 1 0 0 1 0 1 0 0 0 4 0 0 0 0
111.000 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
112.000 1 0 0 3 1 1 1 0 0 1 1 0 0 0 0 2 1 0 0 1
113.000 1 0 1 5 1 4 0 2 0 3 0 1 3 2 3 3 1 0 0 0
114.000 1 1 1 1 1 1 1 2 1 0 0 1 2 2 2 1 0 1 1 1
115.000 2 1 2 1 1 2 1 2 2 4 1 2 1 1 3 2 1 1 1 1
116.000 1 1 2 0 0 0 0 2 0 0 0 1 0 1 0 2 0 1 1 1
117.000 0 0 0 0 1 0 2 1 3 0 2 1 1 2 1 2 1 1 0 2
118.000 1 0 1 0 0 0 1 0 1 2 1 0 0 1 0 0 0 0 3 0
119.000 0 0 0 0 1 0 0 0 2 1 0 0 0 2 2 0 0 1 0 2
120.000 1 0 2 0 1 1 0 2 1 2 0 2 2 2 1 1 2 0 0 2
131.000 1 0 1 0 1 0 1 1 0 1 1 0 2 1 0 0 1 1 1 0
132.000 1 1 1 1 0 0 0 2 0 0 0 2 1 0 3 0 0 2 1 1
133.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 0 1
134.000 0 0 0 0 0 0 1 1 1 0 1 0 1 0 0 3 0 0 1 1
135.000 0 0 1 0 0 1 0 0 0 1 0 1 0 0 1 0 0 2 0 0
136.000 0 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 1 1 0 0
137.000 0 0 1 3 2 0 0 0 3 3 1 0 0 4 1 1 5 1 2 3
138.000 1 0 1 0 1 0 2 1 1 0 0 0 1 1 1 2 2 0 0 1
139.000 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 0 0 1 0 0
140.000 1 1 1 0 0 0 3 1 0 0 0 1 2 0 0 0 1 3 2 2
141.000 3 1 2 6 2 3 6 3 1 2 1 1 0 3 3 3 1 1 1 0
142.000 1 1 1 1 1 1 1 3 1 1 0 1 1 1 1 2 0 1 2 0
143.000 7 3 2 1 2 0 1 2 3 1 2 3 2 3 3 4 2 2 3 1
#Reported_Model_Average 0.872 0.628 0.798 0.830 0.957 0.574 0.606 0.851 0.606 0.894 0.649 0.947 0.691 1.064 1.128 0.979 0.681 0.819 0.766 0.585
#Overall_Average_Reported 0.796
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 33 SER 2HB :M 61 VAL HB : -0.889: 0
: 2259:M 33 SER HA :M 24 LEU 3HD2 : -0.407: 0
: 2259:M 103 GLU 1HG :M 116 LYS 1HG : -0.770: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.497: 0
: 2259:M 115 ILE 2HG2 :M 120 LEU 1HD2 : -0.441: 0
: 2259:M 57 ILE 2HD1 :M 143 TYR HE2 : -0.733: 0
: 2259:M 143 TYR HD1 :M 144 PRO 2HD : -0.561: 0
: 2259:M 143 TYR CE1 :M 113 LEU 1HB : -0.477: 0
: 2259:M 143 TYR CB :M 59 ALA HA : -0.472: 0
: 2259:M 143 TYR HD2 :M 60 LEU HG : -0.463: 0
: 2259:M 143 TYR 2HB :M 59 ALA HA : -0.458: 0
: 2259:M 36 GLY 2HA :M 57 ILE HA : -0.435: 0
: 2259:M 21 LYS H :M 19 ASP C : -0.433: 0
: 2259:M 60 LEU H :M 143 TYR 1HB : -0.427: 0
: 2259:M 21 LYS 2HG :M 36 GLY O : -0.424: 0
: 2259:M 112 VAL O :M 144 PRO 2HD : -0.421: 0
: 2259:M 114 SER 1HB :M 142 VAL HB : -0.681: 0
: 2259:M 4 ARG 2HD :M 38 LYS 2HD : -0.624: 0
: 2259:M 4 ARG 1HB :M 2 ASP OD2 : -0.495: 0
: 2259:M 89 SER 1HB :M 8 SER OG : -0.607: 0
: 2259:M 132 VAL O :M 89 SER HA : -0.572: 0
: 2259:M 52 GLU 1HG :M 8 SER 1HB : -0.531: 0
: 2259:M 95 LYS 2HB :M 107 GLU 2HB : -0.604: 0
: 2259:M 118 GLU HA :M 102 LYS 1HG : -0.595: 0
: 2259:M 102 LYS 1HE :M 102 LYS 2HB : -0.415: 0
: 2259:M 91 THR 2HG2 :M 131 GLN 2HB : -0.569: 0
: 2259:M 84 ASN HA :M 28 ILE 3HD1 : -0.564: 0
: 2259:M 56 LEU 3HD2 :M 3 ASN 2HB : -0.561: 0
: 2259:M 37 GLU 2HB :M 56 LEU 1HB : -0.423: 0
: 2259:M 56 LEU 2HD1 :M 56 LEU H : -0.417: 0
: 2259:M 105 LEU 1HB :M 98 SER 1HB : -0.548: 0
: 2259:M 39 LEU 3HD2 :M 23 ILE 1HG1 : -0.521: 0
: 2259:M 23 ILE HB :M 34 ILE HB : -0.487: 0
: 2259:M 39 LEU 1HD2 :M 34 ILE 2HG2 : -0.422: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.400: 0
: 2259:M 26 GLU 2HB :M 14 LYS 2HB : -0.494: 0
: 2259:M 138 ILE 2HD1 :M 141 LEU 1HD2 : -0.479: 0
: 2259:M 62 TYR CB :M 141 LEU H : -0.441: 0
: 2259:M 140 ALA HA :M 62 TYR 2HB : -0.431: 0
: 2259:M 62 TYR 2HB :M 141 LEU H : -0.408: 0
: 2259:M 65 GLU CB :M 67 HIS H : -0.478: 0
: 2259:M 123 LYS 1HB :M 99 PHE CZ : -0.470: 0
: 2259:M 151 HIS H :M 149 HIS C : -0.463: 0
: 2259:M 151 HIS 2HB :M 150 HIS O : -0.439: 0
: 2259:M 90 LEU HA :M 6 PHE O : -0.435: 0
: 2259:M 7 LEU 3HD1 :M 90 LEU 3HD1 : -0.410: 0
: 2259:M 121 GLY O :M 122 ILE HB : -0.431: 0
: 2259:M 16 GLN HA :M 16 GLN OE1 : -0.428: 0
: 2259:M 106 LEU HG :M 104 ILE 2HG2 : -0.426: 0
: 2259:M 127 LEU 2HB :M 130 GLY 1HA : -0.425: 0
: 2259:M 18 PHE HE1 :M 41 ILE 3HG2 : -0.420: 0
: 2259:M 45 ASP OD2 :M 41 ILE HB : -0.414: 0
: 2259:M 64 LEU 2HB :M 69 HIS CB : -0.403: 0
#sum2 ::23.46 clashscore : 23.46 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253292 potential dots:15830.0 A^2:53 bumps:53 bumps B<40:491.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 41 ILE 1HD1 :M 23 ILE 3HD1 : -0.810: 0
: 2259:M 33 SER 2HB :M 61 VAL HB : -0.765: 0
: 2259:M 111 GLY 2HA :M 143 TYR HE1 : -0.693: 0
: 2259:M 60 LEU 1HD2 :M 57 ILE 2HD1 : -0.614: 0
: 2259:M 36 GLY 2HA :M 57 ILE HA : -0.599: 0
: 2259:M 60 LEU 3HD2 :M 143 TYR HD2 : -0.441: 0
: 2259:M 143 TYR 2HB :M 60 LEU H : -0.426: 0
: 2259:M 114 SER 1HB :M 142 VAL HB : -0.674: 0
: 2259:M 84 ASN 1HB :M 83 ASP O : -0.661: 0
: 2259:M 52 GLU 1HG :M 8 SER 1HB : -0.609: 0
: 2259:M 42 LYS 2HB :M 52 GLU 1HB : -0.539: 0
: 2259:M 12 VAL 1HG2 :M 51 VAL CG1 : -0.512: 0
: 2259:M 12 VAL 1HG2 :M 51 VAL 2HG1 : -0.487: 0
: 2259:M 42 LYS CB :M 52 GLU 1HB : -0.485: 0
: 2259:M 8 SER HA :M 51 VAL O : -0.467: 0
: 2259:M 56 LEU 2HD2 :M 3 ASN 2HB : -0.608: 0
: 2259:M 132 VAL O :M 89 SER HA : -0.599: 0
: 2259:M 7 LEU 3HD1 :M 90 LEU 3HD1 : -0.579: 0
: 2259:M 90 LEU HA :M 6 PHE O : -0.432: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.546: 0
: 2259:M 116 LYS 1HG :M 103 GLU OE1 : -0.475: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.502: 0
: 2259:M 35 LYS 2HB :M 59 ALA 3HB : -0.501: 0
: 2259:M 140 ALA HA :M 62 TYR 2HB : -0.490: 0
: 2259:M 30 GLY 2HA :M 62 TYR OH : -0.419: 0
: 2259:M 62 TYR 2HB :M 141 LEU H : -0.413: 0
: 2259:M 92 GLY 2HA :M 5 GLN 1HG : -0.477: 0
: 2259:M 93 VAL 1HG1 :M 106 LEU 2HD2 : -0.466: 0
: 2259:M 49 GLY O :M 10 THR HA : -0.452: 0
: 2259:M 44 LEU H :M 44 LEU 3HD2 : -0.447: 0
: 2259:M 9 LEU HA :M 87 PHE O : -0.432: 0
: 2259:M 19 ASP HA :M 20 PRO 2HD : -0.430: 0
: 2259:M 21 LYS H :M 19 ASP C : -0.415: 0
: 2259:M 127 LEU H :M 126 ASP CG : -0.405: 0
: 2259:M 98 SER 1HB :M 105 LEU 2HD1 : -0.403: 0
#sum2 ::15.49 clashscore : 15.49 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253340 potential dots:15830.0 A^2:35 bumps:35 bumps B<40:496.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 91 THR HB :M 6 PHE 2HB : -1.001: 0
: 2259:M 8 SER 1HB :M 89 SER 1HB : -0.867: 0
: 2259:M 91 THR 3HG2 :M 131 GLN 1HG : -0.587: 0
: 2259:M 8 SER CB :M 52 GLU 2HB : -0.559: 0
: 2259:M 52 GLU 2HB :M 8 SER 2HB : -0.542: 0
: 2259:M 52 GLU 1HB :M 6 PHE CZ : -0.445: 0
: 2259:M 52 GLU HA :M 7 LEU O : -0.430: 0
: 2259:M 114 SER 2HB :M 142 VAL HB : -0.770: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.626: 0
: 2259:M 103 GLU 1HG :M 116 LYS 1HD : -0.624: 0
: 2259:M 120 LEU 3HD1 :M 102 LYS HA : -0.517: 0
: 2259:M 115 ILE 2HG2 :M 120 LEU 1HD2 : -0.434: 0
: 2259:M 116 LYS 1HD :M 103 GLU CG : -0.417: 0
: 2259:M 35 LYS 2HB :M 59 ALA 3HB : -0.559: 0
: 2259:M 36 GLY 2HA :M 56 LEU O : -0.554: 0
: 2259:M 55 GLY 1HA :M 4 ARG CZ : -0.510: 0
: 2259:M 4 ARG 1HG :M 56 LEU HG : -0.496: 0
: 2259:M 56 LEU 1HB :M 37 GLU O : -0.438: 0
: 2259:M 58 ASP OD1 :M 36 GLY 1HA : -0.403: 0
: 2259:M 10 THR 2HG2 :M 50 GLN 1HB : -0.550: 0
: 2259:M 135 GLU 1HG :M 87 PHE CD1 : -0.486: 0
: 2259:M 10 THR 1HG2 :M 87 PHE HD2 : -0.421: 0
: 2259:M 18 PHE HZ :M 41 ILE 1HG2 : -0.526: 0
: 2259:M 18 PHE CZ :M 41 ILE 1HG2 : -0.449: 0
: 2259:M 26 GLU HA :M 31 VAL HA : -0.497: 0
: 2259:M 33 SER HA :M 24 LEU 3HD2 : -0.494: 0
: 2259:M 24 LEU 1HB :M 16 GLN 1HB : -0.407: 0
: 2259:M 3 ASN HA :M 109 ILE CD1 : -0.491: 0
: 2259:M 109 ILE 2HD1 :M 3 ASN HA : -0.444: 0
: 2259:M 12 VAL 1HG2 :M 51 VAL 2HG1 : -0.483: 0
: 2259:M 46 LEU 2HD2 :M 12 VAL HB : -0.404: 0
: 2259:M 97 GLN 2HG :M 107 GLU 1HB : -0.477: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.477: 0
: 2259:M 146 GLU C :M 148 HIS H : -0.469: 0
: 2259:M 149 HIS HD2 :M 146 GLU O : -0.440: 0
: 2259:M 62 TYR 2HB :M 141 LEU N : -0.463: 0
: 2259:M 140 ALA 2HB :M 64 LEU 2HB : -0.463: 0
: 2259:M 62 TYR 2HB :M 141 LEU H : -0.408: 0
: 2259:M 143 TYR 2HB :M 60 LEU H : -0.458: 0
: 2259:M 143 TYR 1HB :M 113 LEU CD1 : -0.416: 0
: 2259:M 124 HIS 2HB :M 132 VAL 3HG2 : -0.455: 0
: 2259:M 129 ALA 3HB :M 128 LYS O : -0.441: 0
: 2259:M 118 GLU 1HB :M 137 LEU 1HB : -0.437: 0
: 2259:M 151 HIS 2HB :M 150 HIS O : -0.433: 0
: 2259:M 38 LYS 2HE :M 38 LYS 1HB : -0.431: 0
: 2259:M 61 VAL O :M 32 LEU 2HD1 : -0.420: 0
: 2259:M 138 ILE 1HD1 :M 86 GLN OE1 : -0.415: 0
#sum2 ::20.81 clashscore : 20.81 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253159 potential dots:15820.0 A^2:47 bumps:47 bumps B<40:453.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 33 SER 2HB :M 61 VAL HB : -0.856: 0
: 2259:M 12 VAL 1HG2 :M 51 VAL 2HG1 : -0.686: 0
: 2259:M 12 VAL O :M 49 GLY 1HA : -0.520: 0
: 2259:M 12 VAL 1HG2 :M 51 VAL CG1 : -0.518: 0
: 2259:M 8 SER 2HB :M 89 SER 1HB : -0.646: 0
: 2259:M 132 VAL O :M 89 SER HA : -0.458: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.635: 0
: 2259:M 103 GLU O :M 100 ASP 2HB : -0.421: 0
: 2259:M 143 TYR CD2 :M 113 LEU 3HD1 : -0.615: 0
: 2259:M 141 LEU 1HB :M 62 TYR 2HB : -0.572: 0
: 2259:M 113 LEU 1HD1 :M 141 LEU 2HD1 : -0.513: 0
: 2259:M 90 LEU 1HD2 :M 108 THR 1HG2 : -0.511: 0
: 2259:M 90 LEU 2HD2 :M 113 LEU 3HD2 : -0.506: 0
: 2259:M 32 LEU CD1 :M 62 TYR 1HB : -0.505: 0
: 2259:M 90 LEU 2HD2 :M 113 LEU CD2 : -0.500: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.499: 0
: 2259:M 62 TYR HD2 :M 141 LEU 3HD2 : -0.454: 0
: 2259:M 32 LEU HG :M 34 ILE CD1 : -0.424: 0
: 2259:M 32 LEU 2HD1 :M 62 TYR 1HB : -0.424: 0
: 2259:M 20 PRO 2HD :M 19 ASP HA : -0.420: 0
: 2259:M 19 ASP 1HB :M 22 GLU O : -0.417: 0
: 2259:M 62 TYR 2HB :M 141 LEU H : -0.416: 0
: 2259:M 113 LEU 2HB :M 106 LEU 1HB : -0.407: 0
: 2259:M 141 LEU 3HD1 :M 141 LEU HA : -0.404: 0
: 2259:M 97 GLN 2HG :M 107 GLU 1HB : -0.587: 0
: 2259:M 97 GLN 2HE2 :M 107 GLU CG : -0.413: 0
: 2259:M 114 SER 2HB :M 142 VAL HB : -0.583: 0
: 2259:M 112 VAL O :M 144 PRO 1HD : -0.575: 0
: 2259:M 112 VAL HB :M 144 PRO 1HG : -0.486: 0
: 2259:M 112 VAL HB :M 144 PRO CG : -0.467: 0
: 2259:M 137 LEU 2HD1 :M 84 ASN 2HB : -0.561: 0
: 2259:M 137 LEU N :M 137 LEU 2HD2 : -0.401: 0
: 2259:M 109 ILE 3HD1 :M 3 ASN HA : -0.539: 0
: 2259:M 53 VAL 2HG1 :M 41 ILE 2HG2 : -0.531: 0
: 2259:M 53 VAL 2HG2 :M 7 LEU 2HB : -0.459: 0
: 2259:M 53 VAL 2HG1 :M 41 ILE HA : -0.440: 0
: 2259:M 7 LEU 2HB :M 53 VAL CG2 : -0.429: 0
: 2259:M 6 PHE HA :M 53 VAL O : -0.410: 0
: 2259:M 6 PHE HD2 :M 91 THR 1HG2 : -0.407: 0
: 2259:M 41 ILE 2HG2 :M 53 VAL CG1 : -0.404: 0
: 2259:M 145 LEU 1HD2 :M 59 ALA 2HB : -0.526: 0
: 2259:M 35 LYS 2HB :M 59 ALA 3HB : -0.495: 0
: 2259:M 145 LEU 1HD2 :M 59 ALA CB : -0.459: 0
: 2259:M 9 LEU 3HD1 :M 88 LEU 3HD1 : -0.511: 0
: 2259:M 45 ASP C :M 47 LYS H : -0.493: 0
: 2259:M 36 GLY 2HA :M 57 ILE HA : -0.467: 0
: 2259:M 46 LEU 3HD2 :M 46 LEU O : -0.450: 0
#sum2 ::20.81 clashscore : 20.81 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253400 potential dots:15840.0 A^2:47 bumps:47 bumps B<40:475.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 138 ILE HA :M 117 GLY 2HA : -0.818: 0
: 2259:M 97 GLN 2HE2 :M 107 GLU 1HB : -0.805: 0
: 2259:M 95 LYS 1HB :M 107 GLU 2HB : -0.478: 0
: 2259:M 107 GLU HA :M 112 VAL HA : -0.458: 0
: 2259:M 98 SER OG :M 105 LEU 1HB : -0.423: 0
: 2259:M 105 LEU O :M 97 GLN 1HB : -0.416: 0
: 2259:M 25 LEU 2HD1 :M 32 LEU 3HD2 : -0.769: 0
: 2259:M 25 LEU 1HB :M 32 LEU 2HB : -0.633: 0
: 2259:M 62 TYR CD1 :M 63 PRO 1HD : -0.626: 0
: 2259:M 62 TYR CD2 :M 32 LEU 3HD1 : -0.567: 0
: 2259:M 32 LEU 2HD2 :M 9 LEU 2HD2 : -0.545: 0
: 2259:M 63 PRO 1HG :M 30 GLY 2HA : -0.458: 0
: 2259:M 141 LEU H :M 62 TYR 1HB : -0.445: 0
: 2259:M 61 VAL O :M 32 LEU 2HD1 : -0.433: 0
: 2259:M 141 LEU H :M 62 TYR CB : -0.421: 0
: 2259:M 15 VAL 2HG2 :M 25 LEU CD2 : -0.408: 0
: 2259:M 114 SER 1HB :M 142 VAL HB : -0.712: 0
: 2259:M 36 GLY 2HA :M 57 ILE HA : -0.598: 0
: 2259:M 58 ASP OD2 :M 36 GLY 1HA : -0.553: 0
: 2259:M 20 PRO 1HD :M 19 ASP CG : -0.454: 0
: 2259:M 21 LYS 1HG :M 19 ASP OD2 : -0.439: 0
: 2259:M 21 LYS 1HB :M 36 GLY O : -0.429: 0
: 2259:M 21 LYS 2HB :M 21 LYS 1HE : -0.400: 0
: 2259:M 8 SER 2HB :M 89 SER 1HB : -0.584: 0
: 2259:M 131 GLN 1HG :M 91 THR 2HG2 : -0.568: 0
: 2259:M 53 VAL HA :M 41 ILE O : -0.554: 0
: 2259:M 40 GLY O :M 41 ILE HB : -0.458: 0
: 2259:M 59 ALA 2HB :M 145 LEU 1HB : -0.541: 0
: 2259:M 35 LYS 2HB :M 59 ALA 3HB : -0.409: 0
: 2259:M 65 GLU HA :M 68 HIS CD2 : -0.540: 0
: 2259:M 123 LYS 2HB :M 99 PHE CZ : -0.540: 0
: 2259:M 106 LEU H :M 106 LEU 3HD1 : -0.535: 0
: 2259:M 106 LEU C :M 106 LEU 2HD2 : -0.509: 0
: 2259:M 106 LEU 2HD2 :M 106 LEU O : -0.418: 0
: 2259:M 23 ILE HB :M 34 ILE HB : -0.515: 0
: 2259:M 39 LEU 1HD2 :M 34 ILE 2HG2 : -0.462: 0
: 2259:M 33 SER HA :M 24 LEU 3HD2 : -0.496: 0
: 2259:M 83 ASP CG :M 84 ASN H : -0.489: 0
: 2259:M 27 THR 2HG2 :M 12 VAL HA : -0.483: 0
: 2259:M 115 ILE HB :M 104 ILE HB : -0.481: 0
: 2259:M 119 LYS O :M 136 GLY 2HA : -0.479: 0
: 2259:M 120 LEU 1HB :M 101 PRO HA : -0.479: 0
: 2259:M 101 PRO 2HD :M 100 ASP HA : -0.460: 0
: 2259:M 100 ASP 2HB :M 103 GLU O : -0.415: 0
: 2259:M 102 LYS H :M 100 ASP C : -0.408: 0
: 2259:M 137 LEU N :M 137 LEU 2HD1 : -0.446: 0
: 2259:M 4 ARG 1HG :M 2 ASP OD1 : -0.442: 0
: 2259:M 26 GLU 1HB :M 16 GLN 2HG : -0.424: 0
: 2259:M 125 LEU H :M 125 LEU HG : -0.412: 0
: 2259:M 60 LEU H :M 143 TYR 2HB : -0.409: 0
: 2259:M 143 TYR CD2 :M 113 LEU 2HD1 : -0.404: 0
: 2259:M 42 LYS HA :M 52 GLU O : -0.402: 0
: 2259:M 108 THR O :M 110 GLN N : -0.402: 0
#sum2 ::23.46 clashscore : 23.46 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253586 potential dots:15850.0 A^2:53 bumps:53 bumps B<40:452 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 61 VAL HB :M 33 SER 1HB : -0.732: 0
: 2259:M 33 SER HA :M 24 LEU 3HD2 : -0.411: 0
: 2259:M 44 LEU 1HD2 :M 47 LYS 2HE : -0.704: 0
: 2259:M 44 LEU H :M 44 LEU 3HD2 : -0.644: 0
: 2259:M 112 VAL O :M 144 PRO 1HD : -0.659: 0
: 2259:M 109 ILE 2HG2 :M 110 GLN 2HG : -0.651: 0
: 2259:M 109 ILE 3HD1 :M 2 ASP O : -0.590: 0
: 2259:M 146 GLU 1HB :M 110 GLN 2HB : -0.460: 0
: 2259:M 109 ILE H :M 109 ILE 2HG1 : -0.444: 0
: 2259:M 37 GLU 1HG :M 38 LYS 1HG : -0.619: 0
: 2259:M 8 SER 2HB :M 89 SER 2HB : -0.603: 0
: 2259:M 130 GLY 1HA :M 127 LEU 2HD1 : -0.597: 0
: 2259:M 127 LEU H :M 127 LEU 3HD2 : -0.502: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.593: 0
: 2259:M 90 LEU 2HD2 :M 113 LEU 2HD2 : -0.558: 0
: 2259:M 106 LEU 2HD1 :M 113 LEU 3HD2 : -0.503: 0
: 2259:M 113 LEU 2HB :M 106 LEU 1HB : -0.472: 0
: 2259:M 93 VAL 1HG1 :M 106 LEU 2HD2 : -0.450: 0
: 2259:M 62 TYR CB :M 141 LEU H : -0.429: 0
: 2259:M 141 LEU 3HD1 :M 115 ILE HA : -0.418: 0
: 2259:M 113 LEU 1HD1 :M 141 LEU 2HD1 : -0.403: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.570: 0
: 2259:M 39 LEU 1HD2 :M 34 ILE 2HG2 : -0.466: 0
: 2259:M 114 SER 1HB :M 142 VAL HB : -0.538: 0
: 2259:M 65 GLU CD :M 65 GLU H : -0.530: 0
: 2259:M 66 HIS H :M 65 GLU 1HB : -0.443: 0
: 2259:M 123 LYS 2HD :M 124 HIS 1HB : -0.529: 0
: 2259:M 97 GLN 2HE2 :M 107 GLU 1HB : -0.528: 0
: 2259:M 3 ASN 1HB :M 56 LEU 2HD2 : -0.510: 0
: 2259:M 57 ILE 1HD1 :M 5 GLN OE1 : -0.501: 0
: 2259:M 58 ASP CB :M 36 GLY 1HA : -0.485: 0
: 2259:M 36 GLY 1HA :M 58 ASP 1HB : -0.469: 0
: 2259:M 104 ILE 2HG1 :M 120 LEU 3HD2 : -0.474: 0
: 2259:M 10 THR N :M 9 LEU HG : -0.465: 0
: 2259:M 55 GLY O :M 4 ARG HA : -0.465: 0
: 2259:M 64 LEU H :M 64 LEU 3HD2 : -0.450: 0
: 2259:M 125 LEU O :M 125 LEU 3HD2 : -0.450: 0
: 2259:M 41 ILE 2HG1 :M 52 GLU O : -0.449: 0
: 2259:M 51 VAL 2HG2 :M 53 VAL 3HG2 : -0.418: 0
: 2259:M 41 ILE HB :M 53 VAL 2HG2 : -0.405: 0
: 2259:M 26 GLU 2HB :M 14 LYS 2HB : -0.446: 0
: 2259:M 25 LEU 2HD2 :M 12 VAL 1HG1 : -0.445: 0
: 2259:M 122 ILE HB :M 135 GLU 1HB : -0.434: 0
#sum2 ::19.03 clashscore : 19.03 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253336 potential dots:15830.0 A^2:43 bumps:43 bumps B<40:471.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 140 ALA 2HB :M 64 LEU 2HB : -0.940: 0
: 2259:M 138 ILE HA :M 117 GLY 2HA : -0.751: 0
: 2259:M 102 LYS HA :M 117 GLY O : -0.576: 0
: 2259:M 64 LEU H :M 64 LEU 3HD1 : -0.559: 0
: 2259:M 138 ILE 2HD1 :M 141 LEU 1HD2 : -0.543: 0
: 2259:M 140 ALA C :M 141 LEU 2HD2 : -0.542: 0
: 2259:M 118 GLU 2HG :M 102 LYS 2HE : -0.526: 0
: 2259:M 62 TYR 2HB :M 141 LEU H : -0.514: 0
: 2259:M 141 LEU 3HD1 :M 141 LEU HA : -0.421: 0
: 2259:M 141 LEU 2HD2 :M 140 ALA O : -0.407: 0
: 2259:M 127 LEU 1HD2 :M 95 LYS HA : -0.812: 0
: 2259:M 106 LEU 3HD2 :M 96 VAL 2HG1 : -0.642: 0
: 2259:M 96 VAL 2HG1 :M 106 LEU CD2 : -0.515: 0
: 2259:M 95 LYS HA :M 127 LEU CD2 : -0.458: 0
: 2259:M 96 VAL N :M 95 LYS 1HG : -0.408: 0
: 2259:M 114 SER 1HB :M 142 VAL HB : -0.736: 0
: 2259:M 46 LEU 1HD2 :M 14 LYS HA : -0.706: 0
: 2259:M 46 LEU CD2 :M 14 LYS HA : -0.630: 0
: 2259:M 134 VAL 2HG2 :M 122 ILE 1HG1 : -0.681: 0
: 2259:M 61 VAL HB :M 33 SER 1HB : -0.649: 0
: 2259:M 33 SER HA :M 24 LEU 3HD2 : -0.469: 0
: 2259:M 67 HIS 1HB :M 66 HIS O : -0.542: 0
: 2259:M 68 HIS HD2 :M 65 GLU CD : -0.482: 0
: 2259:M 65 GLU O :M 66 HIS 2HB : -0.481: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.500: 0
: 2259:M 51 VAL 1HG2 :M 25 LEU 2HD2 : -0.478: 0
: 2259:M 25 LEU 1HB :M 32 LEU 2HB : -0.424: 0
: 2259:M 32 LEU 2HD2 :M 9 LEU 2HD2 : -0.403: 0
: 2259:M 55 GLY O :M 4 ARG HA : -0.462: 0
: 2259:M 34 ILE HA :M 60 LEU 3HD2 : -0.460: 0
: 2259:M 112 VAL O :M 144 PRO 1HD : -0.460: 0
: 2259:M 143 TYR 2HB :M 60 LEU H : -0.447: 0
: 2259:M 93 VAL HA :M 108 THR HA : -0.448: 0
: 2259:M 82 MET 1HG :M 82 MET O : -0.443: 0
: 2259:M 82 MET SD :M 82 MET N : -0.408: 0
: 2259:M 91 THR HA :M 131 GLN HA : -0.435: 0
: 2259:M 5 GLN CD :M 92 GLY 2HA : -0.430: 0
: 2259:M 36 GLY 1HA :M 58 ASP 1HB : -0.427: 0
: 2259:M 129 ALA 3HB :M 128 LYS O : -0.426: 0
: 2259:M 56 LEU CD2 :M 3 ASN 2HB : -0.417: 0
#sum2 ::17.71 clashscore : 17.71 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253388 potential dots:15840.0 A^2:40 bumps:40 bumps B<40:454.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 114 SER 1HB :M 142 VAL HB : -0.813: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.654: 0
: 2259:M 143 TYR CD2 :M 113 LEU 3HD1 : -0.609: 0
: 2259:M 60 LEU H :M 143 TYR CB : -0.591: 0
: 2259:M 22 GLU O :M 19 ASP 2HB : -0.556: 0
: 2259:M 140 ALA 3HB :M 116 LYS 2HE : -0.507: 0
: 2259:M 114 SER HA :M 105 LEU 3HD2 : -0.495: 0
: 2259:M 20 PRO 2HD :M 19 ASP HA : -0.457: 0
: 2259:M 142 VAL O :M 113 LEU 2HD1 : -0.451: 0
: 2259:M 116 LYS 1HE :M 142 VAL 3HG2 : -0.440: 0
: 2259:M 97 GLN 1HB :M 105 LEU CB : -0.407: 0
: 2259:M 34 ILE 1HG1 :M 60 LEU 2HD2 : -0.405: 0
: 2259:M 33 SER 2HB :M 61 VAL HB : -0.739: 0
: 2259:M 8 SER 1HB :M 89 SER 2HB : -0.715: 0
: 2259:M 138 ILE HA :M 117 GLY 2HA : -0.711: 0
: 2259:M 38 LYS O :M 55 GLY 2HA : -0.673: 0
: 2259:M 55 GLY O :M 4 ARG HA : -0.477: 0
: 2259:M 50 GLN 1HG :M 10 THR 2HG2 : -0.662: 0
: 2259:M 48 ALA C :M 50 GLN H : -0.418: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.629: 0
: 2259:M 62 TYR CB :M 141 LEU H : -0.445: 0
: 2259:M 62 TYR 2HB :M 141 LEU H : -0.418: 0
: 2259:M 115 ILE 3HG2 :M 141 LEU CD2 : -0.414: 0
: 2259:M 28 ILE 2HG1 :M 29 GLN H : -0.612: 0
: 2259:M 28 ILE 2HG1 :M 29 GLN N : -0.416: 0
: 2259:M 131 GLN 1HG :M 91 THR 2HG2 : -0.579: 0
: 2259:M 95 LYS 2HB :M 107 GLU 2HB : -0.543: 0
: 2259:M 42 LYS O :M 43 HIS 1HB : -0.537: 0
: 2259:M 93 VAL O :M 130 GLY 1HA : -0.536: 0
: 2259:M 93 VAL 1HG2 :M 132 VAL CG1 : -0.443: 0
: 2259:M 93 VAL 1HG2 :M 132 VAL 2HG1 : -0.424: 0
: 2259:M 25 LEU 1HB :M 32 LEU 2HB : -0.533: 0
: 2259:M 104 ILE 1HG1 :M 120 LEU 3HD2 : -0.533: 0
: 2259:M 25 LEU 2HD1 :M 32 LEU 3HD2 : -0.516: 0
: 2259:M 106 LEU HG :M 104 ILE 2HG2 : -0.474: 0
: 2259:M 25 LEU 2HD2 :M 12 VAL 1HG1 : -0.450: 0
: 2259:M 104 ILE 1HG1 :M 120 LEU CD2 : -0.434: 0
: 2259:M 100 ASP H :M 104 ILE 3HD1 : -0.408: 0
: 2259:M 46 LEU H :M 46 LEU 3HD2 : -0.527: 0
: 2259:M 122 ILE 2HG1 :M 99 PHE HE1 : -0.516: 0
: 2259:M 122 ILE CG1 :M 99 PHE HE1 : -0.432: 0
: 2259:M 26 GLU 1HB :M 16 GLN 2HG : -0.474: 0
: 2259:M 16 GLN 2HE2 :M 26 GLU 1HB : -0.416: 0
: 2259:M 41 ILE 1HD1 :M 51 VAL 3HG1 : -0.472: 0
: 2259:M 23 ILE 2HG1 :M 39 LEU 3HD2 : -0.431: 0
: 2259:M 88 LEU 2HB :M 134 VAL CG2 : -0.430: 0
: 2259:M 68 HIS 1HB :M 67 HIS O : -0.426: 0
: 2259:M 5 GLN 1HB :M 57 ILE 1HD1 : -0.423: 0
: 2259:M 1 MET 1HG :M 2 ASP H : -0.409: 0
: 2259:M 1 MET O :M 2 ASP 1HB : -0.403: 0
#sum2 ::22.13 clashscore : 22.13 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253495 potential dots:15840.0 A^2:50 bumps:50 bumps B<40:399.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 99 PHE HE1 :M 122 ILE 1HG1 : -0.721: 0
: 2259:M 128 LYS HA :M 125 LEU 3HD2 : -0.583: 0
: 2259:M 122 ILE HB :M 125 LEU O : -0.511: 0
: 2259:M 122 ILE O :M 122 ILE 2HG2 : -0.408: 0
: 2259:M 96 VAL 1HG1 :M 126 ASP 1HB : -0.706: 0
: 2259:M 33 SER 2HB :M 61 VAL HB : -0.680: 0
: 2259:M 138 ILE HA :M 117 GLY 2HA : -0.643: 0
: 2259:M 102 LYS HA :M 117 GLY O : -0.566: 0
: 2259:M 139 ASP OD2 :M 117 GLY 1HA : -0.482: 0
: 2259:M 114 SER 2HB :M 142 VAL HB : -0.624: 0
: 2259:M 119 LYS 1HD :M 118 GLU 2HB : -0.621: 0
: 2259:M 119 LYS 2HD :M 137 LEU 3HD1 : -0.477: 0
: 2259:M 137 LEU N :M 137 LEU 2HD1 : -0.428: 0
: 2259:M 134 VAL CG1 :M 88 LEU 2HB : -0.564: 0
: 2259:M 7 LEU 1HD1 :M 88 LEU 1HD1 : -0.417: 0
: 2259:M 45 ASP OD2 :M 47 LYS 1HG : -0.542: 0
: 2259:M 93 VAL 1HG1 :M 106 LEU 2HD2 : -0.520: 0
: 2259:M 115 ILE 2HG2 :M 120 LEU 1HD2 : -0.511: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.449: 0
: 2259:M 56 LEU 1HB :M 37 GLU 1HB : -0.510: 0
: 2259:M 4 ARG 2HB :M 56 LEU CD2 : -0.478: 0
: 2259:M 56 LEU 3HD2 :M 4 ARG CA : -0.415: 0
: 2259:M 12 VAL 1HG2 :M 51 VAL 2HG1 : -0.499: 0
: 2259:M 51 VAL 1HG1 :M 25 LEU 3HD1 : -0.471: 0
: 2259:M 23 ILE 2HG2 :M 25 LEU HG : -0.447: 0
: 2259:M 12 VAL 1HG2 :M 51 VAL CG1 : -0.410: 0
: 2259:M 39 LEU 1HD2 :M 34 ILE 2HG2 : -0.498: 0
: 2259:M 111 GLY 2HA :M 143 TYR OH : -0.446: 0
: 2259:M 60 LEU CD2 :M 34 ILE 3HG2 : -0.424: 0
: 2259:M 143 TYR 2HB :M 60 LEU H : -0.424: 0
: 2259:M 143 TYR CB :M 60 LEU H : -0.414: 0
: 2259:M 18 PHE CE2 :M 42 LYS 2HB : -0.483: 0
: 2259:M 62 TYR CB :M 141 LEU H : -0.444: 0
: 2259:M 3 ASN HA :M 109 ILE 1HG2 : -0.419: 0
: 2259:M 8 SER 1HB :M 89 SER 2HB : -0.410: 0
: 2259:M 91 THR 1HG2 :M 6 PHE 1HB : -0.410: 0
#sum2 ::15.94 clashscore : 15.94 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253408 potential dots:15840.0 A^2:36 bumps:36 bumps B<40:456.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 8 SER 1HB :M 89 SER 2HB : -0.937: 0
: 2259:M 133 GLU 2HG :M 89 SER 1HB : -0.421: 0
: 2259:M 41 ILE HB :M 53 VAL 2HG1 : -0.802: 0
: 2259:M 87 PHE 1HB :M 10 THR HB : -0.771: 0
: 2259:M 10 THR O :M 86 GLN 2HG : -0.623: 0
: 2259:M 10 THR 3HG2 :M 50 GLN 1HG : -0.478: 0
: 2259:M 87 PHE 1HB :M 10 THR CB : -0.427: 0
: 2259:M 28 ILE 1HD1 :M 86 GLN 1HB : -0.403: 0
: 2259:M 119 LYS 1HD :M 118 GLU 2HB : -0.712: 0
: 2259:M 118 GLU 1HB :M 137 LEU 1HB : -0.488: 0
: 2259:M 137 LEU 2HD2 :M 84 ASN 2HD2 : -0.469: 0
: 2259:M 137 LEU CD2 :M 84 ASN 2HD2 : -0.401: 0
: 2259:M 91 THR HB :M 6 PHE 2HB : -0.670: 0
: 2259:M 91 THR 3HG2 :M 131 GLN 1HB : -0.577: 0
: 2259:M 6 PHE HD2 :M 91 THR OG1 : -0.428: 0
: 2259:M 6 PHE HD1 :M 54 GLU 2HB : -0.401: 0
: 2259:M 64 LEU H :M 64 LEU 3HD2 : -0.620: 0
: 2259:M 64 LEU H :M 64 LEU CD2 : -0.465: 0
: 2259:M 64 LEU O :M 64 LEU HG : -0.444: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.600: 0
: 2259:M 19 ASP 1HB :M 22 GLU 2HB : -0.403: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.580: 0
: 2259:M 104 ILE 1HG1 :M 120 LEU 3HD2 : -0.539: 0
: 2259:M 62 TYR 2HB :M 141 LEU H : -0.501: 0
: 2259:M 115 ILE 3HG2 :M 141 LEU CD2 : -0.445: 0
: 2259:M 99 PHE CD2 :M 104 ILE 2HD1 : -0.442: 0
: 2259:M 115 ILE HB :M 104 ILE HB : -0.441: 0
: 2259:M 115 ILE 2HG2 :M 120 LEU 1HD2 : -0.425: 0
: 2259:M 60 LEU H :M 143 TYR CB : -0.574: 0
: 2259:M 127 LEU 3HD1 :M 127 LEU O : -0.564: 0
: 2259:M 127 LEU 2HD2 :M 127 LEU HA : -0.404: 0
: 2259:M 58 ASP OD2 :M 36 GLY 1HA : -0.562: 0
: 2259:M 36 GLY 2HA :M 57 ILE HA : -0.476: 0
: 2259:M 66 HIS H :M 65 GLU CD : -0.556: 0
: 2259:M 108 THR HB :M 5 GLN 1HE2 : -0.543: 0
: 2259:M 31 VAL O :M 63 PRO 1HD : -0.512: 0
: 2259:M 17 SER 1HB :M 24 LEU 2HD1 : -0.503: 0
: 2259:M 105 LEU 2HD1 :M 98 SER 2HB : -0.501: 0
: 2259:M 113 LEU 2HB :M 106 LEU 1HB : -0.501: 0
: 2259:M 106 LEU 2HD1 :M 113 LEU 3HD2 : -0.470: 0
: 2259:M 90 LEU 2HD2 :M 113 LEU 2HD2 : -0.425: 0
: 2259:M 39 LEU 3HD2 :M 23 ILE 1HG1 : -0.482: 0
: 2259:M 39 LEU CD2 :M 23 ILE 1HG1 : -0.480: 0
: 2259:M 9 LEU 3HD2 :M 12 VAL 2HG2 : -0.481: 0
: 2259:M 25 LEU 3HD2 :M 15 VAL 2HG1 : -0.453: 0
: 2259:M 25 LEU 2HD2 :M 12 VAL 1HG1 : -0.415: 0
: 2259:M 15 VAL 2HG1 :M 25 LEU CD2 : -0.404: 0
: 2259:M 97 GLN 2HG :M 107 GLU 1HB : -0.476: 0
: 2259:M 33 SER 2HB :M 61 VAL HB : -0.455: 0
: 2259:M 112 VAL O :M 144 PRO 1HD : -0.446: 0
: 2259:M 142 VAL O :M 144 PRO 2HD : -0.444: 0
: 2259:M 122 ILE HB :M 135 GLU 2HB : -0.407: 0
#sum2 ::23.02 clashscore : 23.02 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253566 potential dots:15850.0 A^2:52 bumps:52 bumps B<40:415.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 2 ASP 2HB :M 4 ARG 1HG : -0.794: 0
: 2259:M 55 GLY O :M 4 ARG HA : -0.528: 0
: 2259:M 84 ASN 2HD2 :M 28 ILE 1HG2 : -0.703: 0
: 2259:M 137 LEU 2HD2 :M 84 ASN OD1 : -0.508: 0
: 2259:M 28 ILE 1HG2 :M 84 ASN ND2 : -0.487: 0
: 2259:M 84 ASN HA :M 28 ILE 2HG1 : -0.458: 0
: 2259:M 86 GLN 2HG :M 84 ASN O : -0.425: 0
: 2259:M 122 ILE 1HG1 :M 125 LEU 3HD2 : -0.702: 0
: 2259:M 122 ILE 3HD1 :M 134 VAL 2HG2 : -0.617: 0
: 2259:M 8 SER 2HB :M 89 SER 2HB : -0.666: 0
: 2259:M 23 ILE 2HG2 :M 25 LEU HG : -0.610: 0
: 2259:M 20 PRO HA :M 39 LEU 2HB : -0.539: 0
: 2259:M 21 LYS HA :M 36 GLY O : -0.524: 0
: 2259:M 8 SER HA :M 51 VAL O : -0.523: 0
: 2259:M 23 ILE 2HG1 :M 39 LEU 3HD2 : -0.455: 0
: 2259:M 21 LYS H :M 19 ASP C : -0.445: 0
: 2259:M 51 VAL 1HG1 :M 25 LEU 3HD1 : -0.438: 0
: 2259:M 20 PRO 2HD :M 19 ASP HA : -0.418: 0
: 2259:M 102 LYS HA :M 117 GLY O : -0.608: 0
: 2259:M 102 LYS 2HD :M 117 GLY O : -0.441: 0
: 2259:M 5 GLN 2HE2 :M 92 GLY 2HA : -0.564: 0
: 2259:M 5 GLN NE2 :M 92 GLY 2HA : -0.414: 0
: 2259:M 26 GLU HA :M 31 VAL HA : -0.559: 0
: 2259:M 31 VAL O :M 63 PRO 1HD : -0.550: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.543: 0
: 2259:M 61 VAL HB :M 33 SER 1HB : -0.542: 0
: 2259:M 91 THR HA :M 131 GLN HA : -0.539: 0
: 2259:M 112 VAL O :M 144 PRO 1HD : -0.522: 0
: 2259:M 62 TYR CB :M 141 LEU H : -0.522: 0
: 2259:M 60 LEU H :M 143 TYR CB : -0.508: 0
: 2259:M 143 TYR 2HB :M 60 LEU H : -0.434: 0
: 2259:M 118 GLU HA :M 101 PRO O : -0.493: 0
: 2259:M 35 LYS 2HB :M 59 ALA 3HB : -0.485: 0
: 2259:M 106 LEU 3HD2 :M 96 VAL 2HG1 : -0.484: 0
: 2259:M 54 GLU CG :M 42 LYS 1HD : -0.469: 0
: 2259:M 16 GLN 1HB :M 24 LEU 1HB : -0.465: 0
: 2259:M 56 LEU 2HD2 :M 3 ASN 2HB : -0.441: 0
: 2259:M 9 LEU 3HD1 :M 88 LEU 3HD1 : -0.423: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.421: 0
: 2259:M 53 VAL HA :M 41 ILE HA : -0.415: 0
: 2259:M 64 LEU O :M 65 GLU 1HB : -0.409: 0
#sum2 ::18.15 clashscore : 18.15 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253216 potential dots:15830.0 A^2:41 bumps:41 bumps B<40:444.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 114 SER 1HB :M 142 VAL HB : -0.892: 0
: 2259:M 29 GLN HA :M 29 GLN 2HE2 : -0.678: 0
: 2259:M 29 GLN 2HE2 :M 29 GLN CA : -0.486: 0
: 2259:M 54 GLU 1HG :M 42 LYS 1HD : -0.661: 0
: 2259:M 54 GLU HA :M 5 GLN O : -0.422: 0
: 2259:M 42 LYS 1HD :M 54 GLU CG : -0.419: 0
: 2259:M 143 TYR 2HB :M 59 ALA HA : -0.642: 0
: 2259:M 60 LEU H :M 143 TYR CB : -0.445: 0
: 2259:M 144 PRO 1HD :M 143 TYR CD1 : -0.401: 0
: 2259:M 33 SER 2HB :M 61 VAL HB : -0.636: 0
: 2259:M 33 SER HA :M 24 LEU 3HD2 : -0.548: 0
: 2259:M 16 GLN 1HB :M 24 LEU 1HB : -0.508: 0
: 2259:M 17 SER H :M 24 LEU 1HB : -0.403: 0
: 2259:M 43 HIS H :M 41 ILE 3HG2 : -0.634: 0
: 2259:M 43 HIS 2HB :M 41 ILE CD1 : -0.541: 0
: 2259:M 51 VAL 1HG1 :M 25 LEU 3HD1 : -0.600: 0
: 2259:M 32 LEU 3HD1 :M 62 TYR CE2 : -0.560: 0
: 2259:M 9 LEU 1HD2 :M 27 THR 1HG2 : -0.528: 0
: 2259:M 9 LEU 2HB :M 51 VAL 2HG1 : -0.509: 0
: 2259:M 25 LEU 3HD2 :M 15 VAL 2HG1 : -0.485: 0
: 2259:M 9 LEU 2HB :M 51 VAL CG1 : -0.472: 0
: 2259:M 25 LEU 2HD1 :M 32 LEU 3HD2 : -0.470: 0
: 2259:M 140 ALA HA :M 62 TYR CB : -0.457: 0
: 2259:M 25 LEU O :M 31 VAL HA : -0.454: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.581: 0
: 2259:M 35 LYS 1HG :M 22 GLU OE1 : -0.457: 0
: 2259:M 34 ILE 2HG2 :M 39 LEU 1HD2 : -0.408: 0
: 2259:M 21 LYS 2HB :M 21 LYS NZ : -0.574: 0
: 2259:M 37 GLU HA :M 21 LYS HA : -0.415: 0
: 2259:M 109 ILE 2HD1 :M 3 ASN HA : -0.568: 0
: 2259:M 110 GLN N :M 109 ILE 2HG1 : -0.453: 0
: 2259:M 141 LEU 3HD1 :M 115 ILE HA : -0.567: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.516: 0
: 2259:M 100 ASP C :M 102 LYS H : -0.482: 0
: 2259:M 116 LYS 1HG :M 103 GLU OE1 : -0.454: 0
: 2259:M 103 GLU O :M 100 ASP 1HB : -0.418: 0
: 2259:M 139 ASP OD2 :M 117 GLY 1HA : -0.560: 0
: 2259:M 93 VAL 1HG2 :M 132 VAL 2HG1 : -0.503: 0
: 2259:M 132 VAL O :M 89 SER HA : -0.487: 0
: 2259:M 89 SER OG :M 8 SER 2HB : -0.403: 0
: 2259:M 135 GLU HA :M 86 GLN O : -0.496: 0
: 2259:M 85 ARG HA :M 136 GLY O : -0.475: 0
: 2259:M 136 GLY 1HA :M 85 ARG 1HG : -0.470: 0
: 2259:M 90 LEU 2HD2 :M 113 LEU 2HD2 : -0.474: 0
: 2259:M 7 LEU 3HD1 :M 90 LEU 3HD1 : -0.453: 0
: 2259:M 92 GLY O :M 108 THR HA : -0.455: 0
: 2259:M 120 LEU 3HD2 :M 104 ILE 2HD1 : -0.446: 0
: 2259:M 106 LEU HG :M 104 ILE 2HG2 : -0.418: 0
: 2259:M 120 LEU 3HD2 :M 104 ILE CD1 : -0.406: 0
: 2259:M 107 GLU 2HB :M 95 LYS 1HG : -0.438: 0
: 2259:M 23 ILE 2HD1 :M 53 VAL 1HG1 : -0.425: 0
: 2259:M 87 PHE 1HB :M 10 THR OG1 : -0.420: 0
: 2259:M 46 LEU 3HD2 :M 46 LEU O : -0.401: 0
#sum2 ::23.46 clashscore : 23.46 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253583 potential dots:15850.0 A^2:53 bumps:53 bumps B<40:405.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 33 SER 2HB :M 61 VAL HB : -0.994: 0
: 2259:M 114 SER 1HB :M 142 VAL HB : -0.969: 0
: 2259:M 114 SER HA :M 105 LEU 3HD2 : -0.585: 0
: 2259:M 105 LEU 1HB :M 97 GLN 1HB : -0.460: 0
: 2259:M 140 ALA 2HB :M 64 LEU 2HB : -0.901: 0
: 2259:M 64 LEU H :M 64 LEU 3HD2 : -0.509: 0
: 2259:M 64 LEU 2HB :M 140 ALA CB : -0.417: 0
: 2259:M 42 LYS H :M 41 ILE 3HG2 : -0.773: 0
: 2259:M 134 VAL 2HG1 :M 122 ILE HA : -0.751: 0
: 2259:M 84 ASN HA :M 28 ILE 2HD1 : -0.737: 0
: 2259:M 28 ILE 1HG1 :M 28 ILE H : -0.446: 0
: 2259:M 8 SER 1HB :M 89 SER 1HB : -0.701: 0
: 2259:M 143 TYR HD2 :M 113 LEU 2HD2 : -0.664: 0
: 2259:M 60 LEU 2HD1 :M 113 LEU 1HD2 : -0.579: 0
: 2259:M 143 TYR HD2 :M 113 LEU CD2 : -0.445: 0
: 2259:M 56 LEU HG :M 4 ARG 2HB : -0.581: 0
: 2259:M 56 LEU N :M 56 LEU 2HD1 : -0.452: 0
: 2259:M 54 GLU CD :M 4 ARG 1HH2 : -0.401: 0
: 2259:M 32 LEU 2HD2 :M 9 LEU 2HD2 : -0.577: 0
: 2259:M 9 LEU HA :M 87 PHE O : -0.467: 0
: 2259:M 93 VAL 1HG2 :M 132 VAL 2HG1 : -0.566: 0
: 2259:M 38 LYS 1HE :M 37 GLU 1HG : -0.544: 0
: 2259:M 39 LEU 1HD2 :M 34 ILE 2HG2 : -0.538: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.457: 0
: 2259:M 22 GLU O :M 19 ASP 2HB : -0.426: 0
: 2259:M 26 GLU 2HG :M 31 VAL 2HG2 : -0.532: 0
: 2259:M 14 LYS 1HG :M 26 GLU 2HB : -0.443: 0
: 2259:M 145 LEU C :M 147 HIS H : -0.508: 0
: 2259:M 146 GLU O :M 147 HIS 1HB : -0.446: 0
: 2259:M 59 ALA 2HB :M 145 LEU 3HD1 : -0.416: 0
: 2259:M 91 THR 2HG2 :M 131 GLN 2HB : -0.507: 0
: 2259:M 91 THR 2HG2 :M 131 GLN CB : -0.465: 0
: 2259:M 96 VAL N :M 95 LYS 1HG : -0.468: 0
: 2259:M 150 HIS 1HB :M 149 HIS O : -0.468: 0
: 2259:M 115 ILE 2HG2 :M 120 LEU 1HD2 : -0.465: 0
: 2259:M 104 ILE 2HD1 :M 120 LEU 2HB : -0.400: 0
: 2259:M 27 THR HB :M 30 GLY O : -0.447: 0
: 2259:M 12 VAL O :M 49 GLY 1HA : -0.418: 0
: 2259:M 12 VAL HA :M 27 THR HA : -0.414: 0
: 2259:M 36 GLY 2HA :M 57 ILE HA : -0.431: 0
: 2259:M 127 LEU O :M 127 LEU HG : -0.431: 0
: 2259:M 138 ILE HA :M 117 GLY 2HA : -0.425: 0
: 2259:M 69 HIS 1HB :M 68 HIS O : -0.409: 0
: 2259:M 85 ARG 1HH1 :M 85 ARG 2HD : -0.406: 0
: 2259:M 7 LEU 1HD1 :M 88 LEU 1HD1 : -0.403: 0
: 2259:M 66 HIS O :M 67 HIS 2HB : -0.402: 0
#sum2 ::20.36 clashscore : 20.36 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253323 potential dots:15830.0 A^2:46 bumps:46 bumps B<40:390.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 114 SER 1HB :M 142 VAL HB : -0.857: 0
: 2259:M 114 SER HA :M 105 LEU 3HD2 : -0.421: 0
: 2259:M 97 GLN 1HB :M 105 LEU CB : -0.402: 0
: 2259:M 58 ASP 2HB :M 145 LEU 2HD2 : -0.745: 0
: 2259:M 32 LEU 3HD1 :M 62 TYR CE2 : -0.563: 0
: 2259:M 113 LEU 1HD1 :M 141 LEU 2HD1 : -0.542: 0
: 2259:M 35 LYS 2HB :M 35 LYS NZ : -0.525: 0
: 2259:M 58 ASP 2HB :M 145 LEU CD2 : -0.519: 0
: 2259:M 62 TYR CE2 :M 141 LEU 3HD2 : -0.510: 0
: 2259:M 59 ALA 2HB :M 145 LEU 1HB : -0.479: 0
: 2259:M 143 TYR CD2 :M 59 ALA HA : -0.470: 0
: 2259:M 113 LEU CD1 :M 143 TYR 1HB : -0.448: 0
: 2259:M 62 TYR CZ :M 32 LEU 1HB : -0.429: 0
: 2259:M 143 TYR 2HB :M 60 LEU H : -0.426: 0
: 2259:M 60 LEU 2HD2 :M 59 ALA C : -0.413: 0
: 2259:M 35 LYS CB :M 58 ASP 1HB : -0.407: 0
: 2259:M 62 TYR HD2 :M 141 LEU 1HB : -0.400: 0
: 2259:M 91 THR HB :M 6 PHE 2HB : -0.703: 0
: 2259:M 53 VAL 2HG1 :M 41 ILE 2HG2 : -0.635: 0
: 2259:M 91 THR 3HG2 :M 131 GLN 1HG : -0.615: 0
: 2259:M 52 GLU 1HB :M 6 PHE HE1 : -0.588: 0
: 2259:M 6 PHE CE1 :M 52 GLU 1HB : -0.534: 0
: 2259:M 52 GLU O :M 41 ILE HA : -0.458: 0
: 2259:M 36 GLY 2HA :M 57 ILE HA : -0.693: 0
: 2259:M 21 LYS HA :M 36 GLY O : -0.429: 0
: 2259:M 122 ILE 3HG2 :M 123 LYS H : -0.689: 0
: 2259:M 123 LYS O :M 124 HIS 1HB : -0.510: 0
: 2259:M 122 ILE 3HG2 :M 123 LYS N : -0.488: 0
: 2259:M 119 LYS 2HG :M 118 GLU 1HG : -0.681: 0
: 2259:M 84 ASN 2HD2 :M 84 ASN N : -0.609: 0
: 2259:M 137 LEU 3HD1 :M 119 LYS 1HD : -0.481: 0
: 2259:M 85 ARG 1HG :M 137 LEU 1HD1 : -0.473: 0
: 2259:M 85 ARG HA :M 137 LEU HG : -0.454: 0
: 2259:M 85 ARG 2HG :M 83 ASP OD1 : -0.453: 0
: 2259:M 137 LEU 3HD2 :M 84 ASN CG : -0.405: 0
: 2259:M 56 LEU 1HB :M 37 GLU 1HB : -0.605: 0
: 2259:M 56 LEU 2HD1 :M 3 ASN 2HB : -0.547: 0
: 2259:M 56 LEU N :M 56 LEU 2HD2 : -0.428: 0
: 2259:M 138 ILE HA :M 117 GLY 2HA : -0.577: 0
: 2259:M 139 ASP OD2 :M 117 GLY 1HA : -0.433: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.566: 0
: 2259:M 22 GLU O :M 19 ASP 2HB : -0.421: 0
: 2259:M 20 PRO 2HD :M 19 ASP HA : -0.408: 0
: 2259:M 9 LEU 1HD2 :M 27 THR 1HG2 : -0.563: 0
: 2259:M 27 THR 2HG2 :M 12 VAL 2HG2 : -0.413: 0
: 2259:M 147 HIS O :M 146 GLU 1HG : -0.532: 0
: 2259:M 8 SER 1HB :M 89 SER 2HB : -0.517: 0
: 2259:M 50 GLN 2HB :M 10 THR 3HG2 : -0.489: 0
: 2259:M 10 THR HA :M 50 GLN HA : -0.471: 0
: 2259:M 50 GLN O :M 50 GLN 2HG : -0.405: 0
: 2259:M 87 PHE 1HB :M 10 THR HB : -0.401: 0
: 2259:M 55 GLY O :M 4 ARG HA : -0.483: 0
: 2259:M 7 LEU 1HD1 :M 88 LEU 1HD1 : -0.451: 0
: 2259:M 7 LEU 3HD1 :M 90 LEU 3HD1 : -0.434: 0
: 2259:M 96 VAL 3HG1 :M 127 LEU CD1 : -0.447: 0
: 2259:M 126 ASP O :M 127 LEU 1HB : -0.419: 0
: 2259:M 104 ILE 1HD1 :M 120 LEU 2HB : -0.443: 0
: 2259:M 101 PRO HA :M 120 LEU O : -0.436: 0
: 2259:M 115 ILE CG1 :M 104 ILE HB : -0.434: 0
: 2259:M 63 PRO HA :M 68 HIS 2HB : -0.428: 0
: 2259:M 116 LYS 1HG :M 103 GLU OE1 : -0.416: 0
: 2259:M 95 LYS 2HB :M 95 LYS 1HE : -0.403: 0
#sum2 ::27.45 clashscore : 27.45 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253209 potential dots:15830.0 A^2:62 bumps:62 bumps B<40:371.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 8 SER 2HB :M 89 SER 1HB : -0.806: 0
: 2259:M 41 ILE 2HG2 :M 53 VAL 2HG2 : -0.798: 0
: 2259:M 27 THR HB :M 86 GLN 1HE2 : -0.791: 0
: 2259:M 86 GLN NE2 :M 27 THR HB : -0.624: 0
: 2259:M 86 GLN 1HE2 :M 27 THR CB : -0.475: 0
: 2259:M 11 GLY 2HA :M 86 GLN 1HG : -0.453: 0
: 2259:M 138 ILE 1HD1 :M 86 GLN OE1 : -0.448: 0
: 2259:M 33 SER 2HB :M 61 VAL HB : -0.770: 0
: 2259:M 33 SER HA :M 24 LEU 3HD2 : -0.510: 0
: 2259:M 17 SER H :M 24 LEU 1HB : -0.405: 0
: 2259:M 92 GLY 2HA :M 5 GLN 1HE2 : -0.721: 0
: 2259:M 114 SER 1HB :M 142 VAL HB : -0.684: 0
: 2259:M 114 SER HA :M 105 LEU 3HD2 : -0.429: 0
: 2259:M 64 LEU H :M 64 LEU 3HD2 : -0.631: 0
: 2259:M 64 LEU H :M 64 LEU CD2 : -0.461: 0
: 2259:M 95 LYS 2HB :M 107 GLU 2HB : -0.581: 0
: 2259:M 113 LEU HG :M 90 LEU 2HD2 : -0.580: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.556: 0
: 2259:M 132 VAL 1HG1 :M 106 LEU 3HD1 : -0.555: 0
: 2259:M 115 ILE 2HG2 :M 120 LEU 1HD2 : -0.528: 0
: 2259:M 115 ILE HB :M 104 ILE HB : -0.518: 0
: 2259:M 127 LEU 1HD1 :M 96 VAL 3HG1 : -0.495: 0
: 2259:M 103 GLU O :M 100 ASP 1HB : -0.493: 0
: 2259:M 106 LEU HG :M 104 ILE 2HG2 : -0.487: 0
: 2259:M 106 LEU 1HB :M 113 LEU 1HB : -0.487: 0
: 2259:M 132 VAL 1HG1 :M 106 LEU CD1 : -0.479: 0
: 2259:M 113 LEU HG :M 90 LEU CD2 : -0.455: 0
: 2259:M 96 VAL 2HG1 :M 106 LEU CD2 : -0.433: 0
: 2259:M 90 LEU 2HB :M 132 VAL CG1 : -0.401: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.562: 0
: 2259:M 141 LEU 1HB :M 62 TYR 1HB : -0.541: 0
: 2259:M 25 LEU 1HB :M 32 LEU 2HB : -0.533: 0
: 2259:M 32 LEU HG :M 34 ILE 1HD1 : -0.514: 0
: 2259:M 62 TYR CD2 :M 32 LEU 3HD1 : -0.495: 0
: 2259:M 143 TYR 2HB :M 60 LEU H : -0.482: 0
: 2259:M 60 LEU 2HD2 :M 34 ILE 2HD1 : -0.471: 0
: 2259:M 62 TYR 2HB :M 141 LEU H : -0.468: 0
: 2259:M 25 LEU 2HD2 :M 12 VAL 1HG1 : -0.463: 0
: 2259:M 32 LEU HG :M 34 ILE CD1 : -0.440: 0
: 2259:M 34 ILE 1HD1 :M 32 LEU CD2 : -0.419: 0
: 2259:M 141 LEU 2HD1 :M 62 TYR HD2 : -0.419: 0
: 2259:M 143 TYR HD2 :M 60 LEU HG : -0.417: 0
: 2259:M 25 LEU 2HD1 :M 32 LEU 3HD2 : -0.400: 0
: 2259:M 144 PRO 2HD :M 143 TYR HA : -0.400: 0
: 2259:M 56 LEU 3HD1 :M 38 LYS 2HD : -0.545: 0
: 2259:M 56 LEU 1HB :M 37 GLU 2HG : -0.514: 0
: 2259:M 3 ASN OD1 :M 56 LEU HA : -0.508: 0
: 2259:M 39 LEU 3HD2 :M 23 ILE 1HG1 : -0.531: 0
: 2259:M 71 HIS 1HB :M 70 HIS O : -0.520: 0
: 2259:M 59 ALA 3HB :M 35 LYS 2HE : -0.493: 0
: 2259:M 137 LEU 3HD2 :M 85 ARG HA : -0.493: 0
: 2259:M 59 ALA 3HB :M 35 LYS CE : -0.441: 0
: 2259:M 31 VAL O :M 63 PRO 1HD : -0.482: 0
: 2259:M 16 GLN 1HE2 :M 31 VAL 2HG2 : -0.419: 0
: 2259:M 65 GLU H :M 63 PRO C : -0.409: 0
: 2259:M 121 GLY O :M 122 ILE HB : -0.462: 0
: 2259:M 119 LYS 1HB :M 119 LYS NZ : -0.461: 0
: 2259:M 117 GLY 1HA :M 139 ASP 1HB : -0.458: 0
: 2259:M 55 GLY O :M 4 ARG HA : -0.452: 0
: 2259:M 149 HIS NE2 :M 145 LEU 2HD1 : -0.423: 0
: 2259:M 135 GLU 2HB :M 87 PHE CD1 : -0.420: 0
: 2259:M 10 THR HA :M 50 GLN HA : -0.418: 0
: 2259:M 128 LYS 1HB :M 128 LYS NZ : -0.400: 0
#sum2 ::27.89 clashscore : 27.89 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253257 potential dots:15830.0 A^2:63 bumps:63 bumps B<40:350 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 103 GLU 1HG :M 116 LYS 1HG : -0.818: 0
: 2259:M 120 LEU 3HD1 :M 102 LYS HA : -0.636: 0
: 2259:M 138 ILE HA :M 117 GLY 2HA : -0.596: 0
: 2259:M 138 ILE 2HD1 :M 141 LEU 1HD2 : -0.582: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.547: 0
: 2259:M 62 TYR CB :M 141 LEU H : -0.468: 0
: 2259:M 62 TYR HD2 :M 32 LEU 3HD1 : -0.440: 0
: 2259:M 141 LEU 3HD1 :M 115 ILE HA : -0.432: 0
: 2259:M 102 LYS 1HB :M 117 GLY O : -0.409: 0
: 2259:M 116 LYS 1HG :M 103 GLU CG : -0.408: 0
: 2259:M 88 LEU 2HB :M 134 VAL 2HG2 : -0.663: 0
: 2259:M 88 LEU 2HB :M 134 VAL CG2 : -0.487: 0
: 2259:M 134 VAL HA :M 122 ILE 2HG2 : -0.441: 0
: 2259:M 88 LEU O :M 133 GLU HA : -0.433: 0
: 2259:M 63 PRO 1HG :M 31 VAL HB : -0.624: 0
: 2259:M 31 VAL O :M 63 PRO 1HD : -0.489: 0
: 2259:M 40 GLY O :M 41 ILE 1HG1 : -0.622: 0
: 2259:M 41 ILE HB :M 53 VAL HA : -0.540: 0
: 2259:M 7 LEU 3HD1 :M 90 LEU 2HD1 : -0.520: 0
: 2259:M 53 VAL 3HG2 :M 7 LEU 2HB : -0.444: 0
: 2259:M 7 LEU 2HB :M 53 VAL CG2 : -0.431: 0
: 2259:M 52 GLU 1HB :M 41 ILE 1HG2 : -0.413: 0
: 2259:M 8 SER 2HB :M 89 SER 1HB : -0.618: 0
: 2259:M 143 TYR 2HB :M 59 ALA HA : -0.608: 0
: 2259:M 60 LEU H :M 143 TYR CB : -0.603: 0
: 2259:M 60 LEU 2HD2 :M 34 ILE 2HD1 : -0.521: 0
: 2259:M 113 LEU 2HB :M 106 LEU 1HB : -0.519: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.516: 0
: 2259:M 106 LEU 2HD1 :M 113 LEU 3HD2 : -0.491: 0
: 2259:M 60 LEU CD2 :M 34 ILE 3HG2 : -0.467: 0
: 2259:M 143 TYR CD2 :M 113 LEU 3HD1 : -0.465: 0
: 2259:M 60 LEU H :M 143 TYR 1HB : -0.461: 0
: 2259:M 39 LEU 1HD2 :M 34 ILE 2HG2 : -0.445: 0
: 2259:M 23 ILE HB :M 34 ILE HB : -0.409: 0
: 2259:M 37 GLU HA :M 21 LYS 1HG : -0.604: 0
: 2259:M 97 GLN 2HG :M 107 GLU 1HB : -0.595: 0
: 2259:M 93 VAL HA :M 108 THR HA : -0.551: 0
: 2259:M 108 THR HB :M 5 GLN 1HE2 : -0.525: 0
: 2259:M 108 THR 2HG2 :M 93 VAL 2HG2 : -0.507: 0
: 2259:M 108 THR HB :M 5 GLN NE2 : -0.411: 0
: 2259:M 147 HIS H :M 146 GLU 1HG : -0.540: 0
: 2259:M 147 HIS N :M 146 GLU 1HG : -0.494: 0
: 2259:M 145 LEU 2HD1 :M 112 VAL 3HG2 : -0.538: 0
: 2259:M 114 SER 1HB :M 142 VAL HB : -0.521: 0
: 2259:M 112 VAL O :M 144 PRO 1HD : -0.452: 0
: 2259:M 142 VAL O :M 144 PRO 2HD : -0.433: 0
: 2259:M 6 PHE 1HB :M 91 THR HB : -0.518: 0
: 2259:M 51 VAL 1HG1 :M 25 LEU 3HD1 : -0.518: 0
: 2259:M 12 VAL 1HG2 :M 51 VAL CG1 : -0.428: 0
: 2259:M 51 VAL 1HG1 :M 25 LEU CD1 : -0.426: 0
: 2259:M 12 VAL 1HG2 :M 51 VAL 2HG1 : -0.414: 0
: 2259:M 38 LYS O :M 55 GLY 2HA : -0.514: 0
: 2259:M 137 LEU 2HD2 :M 84 ASN OD1 : -0.469: 0
: 2259:M 65 GLU HA :M 68 HIS O : -0.454: 0
: 2259:M 3 ASN 1HB :M 2 ASP O : -0.445: 0
: 2259:M 2 ASP C :M 4 ARG H : -0.406: 0
#sum2 ::24.79 clashscore : 24.79 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253579 potential dots:15850.0 A^2:56 bumps:56 bumps B<40:425.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 8 SER 2HB :M 89 SER 2HB : -1.045: 0
: 2259:M 89 SER OG :M 133 GLU 1HG : -0.458: 0
: 2259:M 6 PHE 1HB :M 91 THR HB : -0.736: 0
: 2259:M 91 THR 3HG2 :M 131 GLN 1HB : -0.490: 0
: 2259:M 6 PHE 1HB :M 91 THR CB : -0.424: 0
: 2259:M 140 ALA 2HB :M 64 LEU 2HD1 : -0.727: 0
: 2259:M 146 GLU H :M 145 LEU HG : -0.698: 0
: 2259:M 146 GLU N :M 145 LEU HG : -0.523: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.696: 0
: 2259:M 138 ILE 2HD1 :M 141 LEU 1HD2 : -0.665: 0
: 2259:M 138 ILE HA :M 117 GLY 2HA : -0.560: 0
: 2259:M 112 VAL O :M 144 PRO 1HD : -0.623: 0
: 2259:M 137 LEU HA :M 85 ARG HA : -0.608: 0
: 2259:M 84 ASN 2HB :M 137 LEU 3HD2 : -0.462: 0
: 2259:M 84 ASN 2HD2 :M 137 LEU 2HB : -0.428: 0
: 2259:M 137 LEU N :M 137 LEU 2HD1 : -0.415: 0
: 2259:M 87 PHE 1HB :M 10 THR HB : -0.586: 0
: 2259:M 10 THR 3HG2 :M 50 GLN 1HG : -0.546: 0
: 2259:M 87 PHE 1HB :M 10 THR CB : -0.403: 0
: 2259:M 57 ILE 1HD1 :M 5 GLN OE1 : -0.582: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.574: 0
: 2259:M 23 ILE 2HG1 :M 39 LEU 3HD2 : -0.529: 0
: 2259:M 20 PRO HA :M 39 LEU 2HB : -0.420: 0
: 2259:M 34 ILE CG2 :M 39 LEU 1HD2 : -0.400: 0
: 2259:M 31 VAL O :M 63 PRO 1HD : -0.553: 0
: 2259:M 25 LEU 3HD2 :M 15 VAL 2HG1 : -0.525: 0
: 2259:M 25 LEU 2HD2 :M 12 VAL 1HG1 : -0.409: 0
: 2259:M 33 SER 2HB :M 61 VAL HB : -0.522: 0
: 2259:M 21 LYS H :M 19 ASP C : -0.472: 0
: 2259:M 21 LYS HA :M 36 GLY O : -0.465: 0
: 2259:M 113 LEU 3HD1 :M 143 TYR HD1 : -0.445: 0
: 2259:M 143 TYR 2HB :M 60 LEU H : -0.415: 0
: 2259:M 42 LYS O :M 43 HIS 1HB : -0.444: 0
: 2259:M 120 LEU HA :M 136 GLY 2HA : -0.442: 0
: 2259:M 104 ILE 1HD1 :M 120 LEU 2HB : -0.427: 0
: 2259:M 96 VAL 3HG2 :M 106 LEU 3HD2 : -0.439: 0
: 2259:M 109 ILE H :M 109 ILE 2HG1 : -0.432: 0
: 2259:M 128 LYS 2HG :M 125 LEU O : -0.410: 0
: 2259:M 101 PRO 2HD :M 100 ASP HA : -0.410: 0
: 2259:M 53 VAL 2HG2 :M 41 ILE CD1 : -0.401: 0
: 2259:M 150 HIS O :M 151 HIS 1HB : -0.400: 0
#sum2 ::18.15 clashscore : 18.15 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253053 potential dots:15820.0 A^2:41 bumps:41 bumps B<40:464.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 41 ILE HB :M 53 VAL 2HG1 : -0.907: 0
: 2259:M 88 LEU O :M 133 GLU HA : -0.576: 0
: 2259:M 51 VAL 1HG2 :M 25 LEU 1HD1 : -0.514: 0
: 2259:M 131 GLN 1HG :M 91 THR 2HG2 : -0.500: 0
: 2259:M 9 LEU 3HD1 :M 88 LEU 3HD1 : -0.498: 0
: 2259:M 7 LEU 2HB :M 53 VAL CG2 : -0.494: 0
: 2259:M 41 ILE O :M 41 ILE 1HG1 : -0.479: 0
: 2259:M 25 LEU 2HD1 :M 32 LEU 3HD2 : -0.469: 0
: 2259:M 9 LEU 2HB :M 51 VAL CG1 : -0.464: 0
: 2259:M 18 PHE HE1 :M 41 ILE 3HG2 : -0.454: 0
: 2259:M 53 VAL 2HG1 :M 41 ILE CB : -0.438: 0
: 2259:M 7 LEU 3HD1 :M 90 LEU 3HD1 : -0.421: 0
: 2259:M 25 LEU 1HB :M 32 LEU 2HB : -0.421: 0
: 2259:M 90 LEU HG :M 91 THR N : -0.409: 0
: 2259:M 7 LEU 1HD1 :M 88 LEU 1HD1 : -0.402: 0
: 2259:M 67 HIS HE1 :M 71 HIS 1HB : -0.828: 0
: 2259:M 67 HIS CE1 :M 71 HIS 1HB : -0.640: 0
: 2259:M 33 SER 2HB :M 61 VAL HB : -0.805: 0
: 2259:M 114 SER 2HB :M 142 VAL HB : -0.783: 0
: 2259:M 140 ALA 2HB :M 64 LEU 1HD2 : -0.763: 0
: 2259:M 62 TYR CB :M 141 LEU H : -0.518: 0
: 2259:M 140 ALA HA :M 62 TYR 2HB : -0.515: 0
: 2259:M 140 ALA 2HB :M 64 LEU CD2 : -0.510: 0
: 2259:M 122 ILE 2HG1 :M 135 GLU 1HG : -0.737: 0
: 2259:M 122 ILE 2HG1 :M 135 GLU CG : -0.416: 0
: 2259:M 8 SER 1HB :M 89 SER 1HB : -0.708: 0
: 2259:M 132 VAL 1HG1 :M 106 LEU 3HD1 : -0.460: 0
: 2259:M 132 VAL O :M 89 SER HA : -0.419: 0
: 2259:M 109 ILE 3HD1 :M 2 ASP O : -0.704: 0
: 2259:M 110 GLN 1HG :M 109 ILE O : -0.548: 0
: 2259:M 92 GLY 2HA :M 109 ILE 1HD1 : -0.504: 0
: 2259:M 137 LEU 1HD2 :M 84 ASN 2HD2 : -0.695: 0
: 2259:M 99 PHE HZ :M 123 LYS HA : -0.689: 0
: 2259:M 99 PHE CZ :M 123 LYS HA : -0.651: 0
: 2259:M 119 LYS O :M 136 GLY 2HA : -0.685: 0
: 2259:M 147 HIS 2HB :M 58 ASP OD1 : -0.622: 0
: 2259:M 145 LEU 2HB :M 147 HIS CE1 : -0.422: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.620: 0
: 2259:M 19 ASP 1HB :M 22 GLU O : -0.493: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.538: 0
: 2259:M 103 GLU 2HG :M 116 LYS 1HG : -0.463: 0
: 2259:M 3 ASN 1HB :M 56 LEU 2HD2 : -0.514: 0
: 2259:M 56 LEU CD2 :M 4 ARG 2HG : -0.470: 0
: 2259:M 97 GLN 2HE2 :M 107 GLU 1HB : -0.511: 0
: 2259:M 97 GLN 2HG :M 107 GLU 1HB : -0.430: 0
: 2259:M 37 GLU HA :M 21 LYS 1HD : -0.492: 0
: 2259:M 143 TYR 2HB :M 60 LEU H : -0.432: 0
: 2259:M 144 PRO 1HD :M 143 TYR HD1 : -0.401: 0
: 2259:M 54 GLU HA :M 5 GLN O : -0.426: 0
: 2259:M 42 LYS 2HE :M 42 LYS 1HB : -0.421: 0
: 2259:M 139 ASP OD2 :M 117 GLY 1HA : -0.420: 0
: 2259:M 146 GLU C :M 148 HIS H : -0.418: 0
: 2259:M 38 LYS O :M 55 GLY 2HA : -0.416: 0
: 2259:M 82 MET SD :M 82 MET N : -0.408: 0
: 2259:M 50 GLN 1HG :M 48 ALA 3HB : -0.402: 0
: 2259:M 95 LYS HA :M 127 LEU 2HD2 : -0.400: 0
#sum2 ::24.79 clashscore : 24.79 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253371 potential dots:15840.0 A^2:56 bumps:56 bumps B<40:412.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 114 SER 1HB :M 142 VAL HB : -0.910: 0
: 2259:M 60 LEU H :M 143 TYR CB : -0.550: 0
: 2259:M 144 PRO O :M 145 LEU 1HB : -0.501: 0
: 2259:M 147 HIS 2HB :M 143 TYR O : -0.485: 0
: 2259:M 142 VAL 3HG1 :M 147 HIS HD2 : -0.452: 0
: 2259:M 143 TYR CD1 :M 144 PRO 1HD : -0.420: 0
: 2259:M 134 VAL 2HG2 :M 122 ILE 1HG1 : -0.847: 0
: 2259:M 122 ILE 1HD1 :M 104 ILE 3HD1 : -0.739: 0
: 2259:M 38 LYS O :M 55 GLY 2HA : -0.817: 0
: 2259:M 39 LEU 2HD1 :M 38 LYS C : -0.427: 0
: 2259:M 118 GLU HA :M 102 LYS 1HG : -0.816: 0
: 2259:M 137 LEU 1HB :M 118 GLU 2HG : -0.565: 0
: 2259:M 100 ASP C :M 102 LYS H : -0.462: 0
: 2259:M 137 LEU 1HB :M 118 GLU CG : -0.407: 0
: 2259:M 41 ILE HB :M 53 VAL 2HG1 : -0.787: 0
: 2259:M 42 LYS H :M 41 ILE 3HG2 : -0.684: 0
: 2259:M 52 GLU O :M 41 ILE 3HD1 : -0.595: 0
: 2259:M 45 ASP C :M 47 LYS H : -0.490: 0
: 2259:M 45 ASP OD1 :M 42 LYS 2HB : -0.484: 0
: 2259:M 42 LYS O :M 43 HIS 1HB : -0.414: 0
: 2259:M 52 GLU HA :M 7 LEU O : -0.406: 0
: 2259:M 41 ILE 3HG2 :M 42 LYS N : -0.405: 0
: 2259:M 31 VAL O :M 63 PRO 1HD : -0.753: 0
: 2259:M 126 ASP 2HB :M 130 GLY 2HA : -0.705: 0
: 2259:M 25 LEU 2HD1 :M 32 LEU 3HD2 : -0.666: 0
: 2259:M 32 LEU 2HD2 :M 9 LEU 2HD2 : -0.657: 0
: 2259:M 12 VAL O :M 49 GLY 1HA : -0.556: 0
: 2259:M 25 LEU 2HD2 :M 12 VAL 1HG1 : -0.547: 0
: 2259:M 27 THR 2HG2 :M 12 VAL HA : -0.546: 0
: 2259:M 25 LEU 1HB :M 32 LEU 2HB : -0.541: 0
: 2259:M 32 LEU CD2 :M 9 LEU 2HD2 : -0.535: 0
: 2259:M 62 TYR CD2 :M 32 LEU 3HD1 : -0.528: 0
: 2259:M 141 LEU H :M 62 TYR 1HB : -0.466: 0
: 2259:M 51 VAL 1HG2 :M 25 LEU 2HD2 : -0.459: 0
: 2259:M 9 LEU 1HD2 :M 27 THR 1HG2 : -0.426: 0
: 2259:M 64 LEU 1HD1 :M 140 ALA 2HB : -0.612: 0
: 2259:M 140 ALA 3HB :M 116 LYS CE : -0.438: 0
: 2259:M 91 THR 3HG2 :M 131 GLN 1HG : -0.610: 0
: 2259:M 6 PHE 1HB :M 91 THR HB : -0.484: 0
: 2259:M 54 GLU 2HB :M 6 PHE CD2 : -0.405: 0
: 2259:M 22 GLU HA :M 34 ILE O : -0.573: 0
: 2259:M 35 LYS 1HG :M 22 GLU OE2 : -0.486: 0
: 2259:M 127 LEU CG :M 128 LYS H : -0.558: 0
: 2259:M 8 SER 2HB :M 89 SER 1HB : -0.551: 0
: 2259:M 10 THR 3HG2 :M 50 GLN 1HG : -0.544: 0
: 2259:M 132 VAL 1HG1 :M 106 LEU 3HD1 : -0.494: 0
: 2259:M 109 ILE 3HD1 :M 3 ASN HA : -0.482: 0
: 2259:M 98 SER H :M 105 LEU 1HB : -0.472: 0
: 2259:M 56 LEU 3HD2 :M 4 ARG HA : -0.426: 0
: 2259:M 83 ASP C :M 85 ARG H : -0.424: 0
: 2259:M 84 ASN 2HD2 :M 84 ASN C : -0.412: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.411: 0
#sum2 ::23.02 clashscore : 23.02 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253397 potential dots:15840.0 A^2:52 bumps:52 bumps B<40:361.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 8 SER 2HB :M 89 SER 1HB : -0.829: 0
: 2259:M 4 ARG 1HG :M 56 LEU HG : -0.789: 0
: 2259:M 4 ARG 1HG :M 56 LEU CG : -0.632: 0
: 2259:M 56 LEU HG :M 4 ARG CG : -0.502: 0
: 2259:M 109 ILE 3HD1 :M 3 ASN HA : -0.498: 0
: 2259:M 56 LEU CD1 :M 4 ARG 1HG : -0.458: 0
: 2259:M 56 LEU 3HD2 :M 3 ASN 2HB : -0.441: 0
: 2259:M 109 ILE H :M 109 ILE 2HG1 : -0.401: 0
: 2259:M 134 VAL 2HG1 :M 122 ILE HB : -0.594: 0
: 2259:M 122 ILE 2HG2 :M 99 PHE CE1 : -0.528: 0
: 2259:M 122 ILE 1HG1 :M 123 LYS N : -0.400: 0
: 2259:M 138 ILE HA :M 117 GLY 2HA : -0.565: 0
: 2259:M 102 LYS HA :M 117 GLY O : -0.461: 0
: 2259:M 137 LEU HG :M 85 ARG 1HG : -0.563: 0
: 2259:M 137 LEU 3HD2 :M 84 ASN CG : -0.543: 0
: 2259:M 85 ARG CG :M 137 LEU HG : -0.481: 0
: 2259:M 64 LEU 2HD2 :M 140 ALA 2HB : -0.551: 0
: 2259:M 64 LEU H :M 64 LEU 3HD2 : -0.473: 0
: 2259:M 140 ALA 2HB :M 64 LEU 3HD1 : -0.456: 0
: 2259:M 21 LYS HA :M 36 GLY O : -0.550: 0
: 2259:M 21 LYS 2HB :M 21 LYS 1HE : -0.404: 0
: 2259:M 116 LYS 2HE :M 103 GLU 1HB : -0.539: 0
: 2259:M 112 VAL O :M 144 PRO 1HD : -0.526: 0
: 2259:M 59 ALA 3HB :M 35 LYS 2HE : -0.517: 0
: 2259:M 132 VAL 1HG1 :M 106 LEU 3HD1 : -0.517: 0
: 2259:M 97 GLN CD :M 107 GLU 1HB : -0.480: 0
: 2259:M 60 LEU H :M 143 TYR CB : -0.460: 0
: 2259:M 39 LEU 1HD2 :M 34 ILE 2HG2 : -0.449: 0
: 2259:M 28 ILE O :M 28 ILE 2HG1 : -0.448: 0
: 2259:M 88 LEU O :M 133 GLU HA : -0.442: 0
: 2259:M 54 GLU 2HG :M 6 PHE HD1 : -0.437: 0
: 2259:M 54 GLU 2HG :M 6 PHE CD1 : -0.426: 0
: 2259:M 82 MET SD :M 82 MET N : -0.431: 0
: 2259:M 53 VAL 3HG2 :M 7 LEU 2HB : -0.430: 0
: 2259:M 128 LYS HA :M 128 LYS 2HD : -0.421: 0
: 2259:M 114 SER HA :M 105 LEU 3HD2 : -0.421: 0
: 2259:M 128 LYS C :M 130 GLY H : -0.408: 0
: 2259:M 46 LEU HG :M 46 LEU O : -0.419: 0
: 2259:M 104 ILE 1HD1 :M 120 LEU 2HB : -0.418: 0
: 2259:M 120 LEU 1HD2 :M 115 ILE 2HG2 : -0.401: 0
: 2259:M 37 GLU 2HB :M 38 LYS 1HE : -0.411: 0
: 2259:M 119 LYS 1HG :M 119 LYS O : -0.402: 0
#sum2 ::18.59 clashscore : 18.59 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253223 potential dots:15830.0 A^2:42 bumps:42 bumps B<40:450.8 score
Output from PDB validation software
Summary from PDB validation
May. 10, 02:06:57 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
Chain Atom Res Seq Chain Atom Res Seq Mol_ID Distance
-------------------------------------------------------------------------
A 1HB SER 8 - B 1HB SER 79 17 Dist = 1.32
A HE1 HIS 67 - A 1HB HIS 71 18 Dist = 1.35
A 2HB PHE 6 - B HB THR 81 3 Dist = 1.36
A 1HB SER 33 - A HB VAL 61 13 Dist = 1.37
A HB THR 27 - B 1HE2 GLN 76 15 Dist = 1.38
A 2HB LEU 64 - B 3HB ALA 130 7 Dist = 1.38
B 2HB SER 104 - B HB VAL 132 13 Dist = 1.41
B 2HE2 GLN 87 - B 1HB GLU 97 5 Dist = 1.41
A 2HB SER 8 - B 1HB SER 79 10 Dist = 1.42
B 2HB SER 104 - B HB VAL 132 19 Dist = 1.43
A HB ILE 41 - A 1HG1 VAL 53 18 Dist = 1.43
A 1HB SER 33 - A HB VAL 61 1 Dist = 1.43
A 1HE2 GLN 5 - B 2HA GLY 82 15 Dist = 1.44
B 2HB SER 104 - B HB VAL 132 12 Dist = 1.47
A 2HD1 ILE 57 - B HE2 TYR 133 1 Dist = 1.47
B HE1 PHE 89 - B 1HG1 ILE 112 9 Dist = 1.48
B 1HG1 ILE 112 - B 2HG2 VAL 124 19 Dist = 1.49
A 2HB LEU 64 - B 3HB ALA 130 13 Dist = 1.49
B 2HA GLY 101 - B HE1 TYR 133 2 Dist = 1.49
A 1HB SER 33 - A HB VAL 61 4 Dist = 1.50
A 2HB SER 8 - B 2HB SER 79 3 Dist = 1.50
A 1HG2 ILE 28 - B 2HD2 ASN 74 11 Dist = 1.51
B HZ PHE 89 - B HA LYS 113 18 Dist = 1.51
B 2HB SER 104 - B HB VAL 132 14 Dist = 1.52
A 2HG2 ILE 41 - A 2HG2 VAL 53 15 Dist = 1.53
B HA LYS 85 - B 2HD2 LEU 117 7 Dist = 1.53
A 3HD1 ILE 23 - A 1HD1 ILE 41 2 Dist = 1.53
A HB ILE 41 - A 3HG1 VAL 53 10 Dist = 1.53
A 1HB SER 8 - B 2HB SER 79 20 Dist = 1.53
B 1HD2 LEU 103 - B HD2 TYR 133 13 Dist = 1.54
B 2HB SER 104 - B HB VAL 132 8 Dist = 1.54
A 2HB ASP 2 - A 1HG ARG 4 11 Dist = 1.55
A 1HB SER 33 - A HB VAL 61 18 Dist = 1.55
A HB THR 10 - B 1HB PHE 77 10 Dist = 1.55
B 1HG GLU 93 - B 1HG LYS 106 16 Dist = 1.55
A 2HG2 ILE 41 - A H HIS 43 12 Dist = 1.55
A 3HD2 LEU 64 - B 1HB ALA 130 18 Dist = 1.55
B HG SER 79 - B 1HG GLU 123 1 Dist = 1.55
B 2HA GLY 107 - B HA ILE 128 5 Dist = 1.55
B 1HG LYS 92 - B HA GLU 108 19 Dist = 1.56
B 1HZ LYS 106 - B OD2 ASP 129 7 Dist = 1.56
A 1HG ARG 4 - A HG LEU 56 20 Dist = 1.56
B 2HA GLY 101 - B HH TYR 133 11 Dist = 1.57
A HB ILE 41 - A 2HG1 VAL 53 19 Dist = 1.57
A HD1 HIS 43 - A OD1 ASP 45 5 Dist = 1.57
A 1HB SER 8 - B 2HB SER 79 15 Dist = 1.57
A 3HZ LYS 35 - A OD2 ASP 58 11 Dist = 1.57
B 1HB SER 104 - B HB VAL 132 18 Dist = 1.57
B HE2 HIS 114 - B 3HG2 VAL 122 8 Dist = 1.57
B HA ILE 112 - B 1HG1 VAL 124 13 Dist = 1.58
A OD1 ASP 45 - A H GLU 52 1 Dist = 1.58
A 1HB SER 33 - A HB VAL 61 15 Dist = 1.58
A 1HB PHE 6 - B HB THR 81 17 Dist = 1.58
B OE1 GLU 93 - B 1HZ LYS 106 15 Dist = 1.58
A 1HB SER 33 - A HB VAL 61 2 Dist = 1.58
A OE1 GLU 22 - A 1HZ LYS 35 12 Dist = 1.59
A OD2 ASP 58 - B HD1 HIS 137 18 Dist = 1.59
A HD1 HIS 66 - B OD1 ASP 129 13 Dist = 1.59
A HD1 HIS 43 - A OE1 GLU 52 15 Dist = 1.59
B 2HZ LYS 113 - B OE2 GLU 123 16 Dist = 1.59
A 2HZ LYS 14 - A OE2 GLU 26 7 Dist = 1.59
A 2HZ LYS 42 - A OE1 GLU 54 12 Dist = 1.59
A 3HZ LYS 42 - A OE1 GLU 52 3 Dist = 1.59
B 2HZ LYS 85 - B OE1 GLU 97 4 Dist = 1.60
B 1HZ LYS 113 - B OE1 GLU 123 19 Dist = 1.60
A OD2 ASP 45 - A 1HZ LYS 47 9 Dist = 1.60
A 2HZ LYS 35 - A OD2 ASP 58 13 Dist = 1.60
A 3HD1 LEU 25 - A 3HD2 LEU 32 5 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 B 96 5 CA - CB 1.556 1.530
-0.033 ARG A 4 10 N - CA 1.425 1.458
-0.028 ARG A 4 10 CB - CG 1.492 1.520
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.7 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-4.4 HIS A 66 1 N - CA - C 106.8 111.2
-4.0 LEU A 44 10 N - CA - C 107.2 111.2
-3.9 TYR A 62 14 N - CA - C 107.3 111.2
-4.0 GLU B 136 16 N - CA - C 107.2 111.2
-4.9 HIS B 141 17 N - CA - C 106.3 111.2
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A ASN 3 1HD2
1 A ASN 3 2HD2
1 A GLN 5 1HE2
1 A GLN 5 2HE2
1 A GLN 16 1HE2
1 A GLN 16 2HE2
1 A GLN 29 1HE2
1 A GLN 29 2HE2
1 A GLN 50 1HE2
1 A GLN 50 2HE2
1 B ASN 74 1HD2
1 B ASN 74 2HD2
1 B GLN 76 1HE2
1 B GLN 76 2HE2
1 B GLN 87 1HE2
1 B GLN 87 2HE2
1 B GLN 100 1HE2
1 B GLN 100 2HE2
1 B GLN 121 1HE2
1 B GLN 121 2HE2
2 A ASN 3 1HD2
2 A ASN 3 2HD2
2 A GLN 5 1HE2
2 A GLN 5 2HE2
2 A GLN 16 1HE2
2 A GLN 16 2HE2
2 A GLN 29 1HE2
2 A GLN 29 2HE2
2 A GLN 50 1HE2
2 A GLN 50 2HE2
2 B ASN 74 1HD2
2 B ASN 74 2HD2
2 B GLN 76 1HE2
2 B GLN 76 2HE2
2 B GLN 87 1HE2
2 B GLN 87 2HE2
2 B GLN 100 1HE2
2 B GLN 100 2HE2
2 B GLN 121 1HE2
2 B GLN 121 2HE2
3 A ASN 3 1HD2
3 A ASN 3 2HD2
3 A GLN 5 1HE2
3 A GLN 5 2HE2
3 A GLN 16 1HE2
3 A GLN 16 2HE2
3 A GLN 29 1HE2
3 A GLN 29 2HE2
3 A GLN 50 1HE2
3 A GLN 50 2HE2
3 B ASN 74 1HD2
3 B ASN 74 2HD2
3 B GLN 76 1HE2
3 B GLN 76 2HE2
3 B GLN 87 1HE2
3 B GLN 87 2HE2
3 B GLN 100 1HE2
3 B GLN 100 2HE2
3 B GLN 121 1HE2
3 B GLN 121 2HE2
4 A ASN 3 1HD2
4 A ASN 3 2HD2
4 A GLN 5 1HE2
4 A GLN 5 2HE2
4 A GLN 16 1HE2
4 A GLN 16 2HE2
4 A GLN 29 1HE2
4 A GLN 29 2HE2
4 A GLN 50 1HE2
4 A GLN 50 2HE2
4 B ASN 74 1HD2
4 B ASN 74 2HD2
4 B GLN 76 1HE2
4 B GLN 76 2HE2
4 B GLN 87 1HE2
4 B GLN 87 2HE2
4 B GLN 100 1HE2
4 B GLN 100 2HE2
4 B GLN 121 1HE2
4 B GLN 121 2HE2
5 A ASN 3 1HD2
5 A ASN 3 2HD2
5 A GLN 5 1HE2
5 A GLN 5 2HE2
5 A GLN 16 1HE2
5 A GLN 16 2HE2
5 A GLN 29 1HE2
5 A GLN 29 2HE2
5 A GLN 50 1HE2
5 A GLN 50 2HE2
5 B ASN 74 1HD2
5 B ASN 74 2HD2
5 B GLN 76 1HE2
5 B GLN 76 2HE2
5 B GLN 87 1HE2
5 B GLN 87 2HE2
5 B GLN 100 1HE2
5 B GLN 100 2HE2
5 B GLN 121 1HE2
5 B GLN 121 2HE2
6 A ASN 3 1HD2
6 A ASN 3 2HD2
6 A GLN 5 1HE2
6 A GLN 5 2HE2
6 A GLN 16 1HE2
6 A GLN 16 2HE2
6 A GLN 29 1HE2
6 A GLN 29 2HE2
6 A GLN 50 1HE2
6 A GLN 50 2HE2
6 B ASN 74 1HD2
6 B ASN 74 2HD2
6 B GLN 76 1HE2
6 B GLN 76 2HE2
6 B GLN 87 1HE2
6 B GLN 87 2HE2
6 B GLN 100 1HE2
6 B GLN 100 2HE2
6 B GLN 121 1HE2
6 B GLN 121 2HE2
7 A ASN 3 1HD2
7 A ASN 3 2HD2
7 A GLN 5 1HE2
7 A GLN 5 2HE2
7 A GLN 16 1HE2
7 A GLN 16 2HE2
7 A GLN 29 1HE2
7 A GLN 29 2HE2
7 A GLN 50 1HE2
7 A GLN 50 2HE2
7 B ASN 74 1HD2
7 B ASN 74 2HD2
7 B GLN 76 1HE2
7 B GLN 76 2HE2
7 B GLN 87 1HE2
7 B GLN 87 2HE2
7 B GLN 100 1HE2
7 B GLN 100 2HE2
7 B GLN 121 1HE2
7 B GLN 121 2HE2
8 A ASN 3 1HD2
8 A ASN 3 2HD2
8 A GLN 5 1HE2
8 A GLN 5 2HE2
8 A GLN 16 1HE2
8 A GLN 16 2HE2
8 A GLN 29 1HE2
8 A GLN 29 2HE2
8 A GLN 50 1HE2
8 A GLN 50 2HE2
8 B ASN 74 1HD2
8 B ASN 74 2HD2
8 B GLN 76 1HE2
8 B GLN 76 2HE2
8 B GLN 87 1HE2
8 B GLN 87 2HE2
8 B GLN 100 1HE2
8 B GLN 100 2HE2
8 B GLN 121 1HE2
8 B GLN 121 2HE2
9 A ASN 3 1HD2
9 A ASN 3 2HD2
9 A GLN 5 1HE2
9 A GLN 5 2HE2
9 A GLN 16 1HE2
9 A GLN 16 2HE2
9 A GLN 29 1HE2
9 A GLN 29 2HE2
9 A GLN 50 1HE2
9 A GLN 50 2HE2
9 B ASN 74 1HD2
9 B ASN 74 2HD2
9 B GLN 76 1HE2
9 B GLN 76 2HE2
9 B GLN 87 1HE2
9 B GLN 87 2HE2
9 B GLN 100 1HE2
9 B GLN 100 2HE2
9 B GLN 121 1HE2
9 B GLN 121 2HE2
10 A ASN 3 1HD2
10 A ASN 3 2HD2
10 A GLN 5 1HE2
10 A GLN 5 2HE2
10 A GLN 16 1HE2
10 A GLN 16 2HE2
10 A GLN 29 1HE2
10 A GLN 29 2HE2
10 A GLN 50 1HE2
10 A GLN 50 2HE2
10 B ASN 74 1HD2
10 B ASN 74 2HD2
10 B GLN 76 1HE2
10 B GLN 76 2HE2
10 B GLN 87 1HE2
10 B GLN 87 2HE2
10 B GLN 100 1HE2
10 B GLN 100 2HE2
10 B GLN 121 1HE2
10 B GLN 121 2HE2
11 A ASN 3 1HD2
11 A ASN 3 2HD2
11 A GLN 5 1HE2
11 A GLN 5 2HE2
11 A GLN 16 1HE2
11 A GLN 16 2HE2
11 A GLN 29 1HE2
11 A GLN 29 2HE2
11 A GLN 50 1HE2
11 A GLN 50 2HE2
11 B ASN 74 1HD2
11 B ASN 74 2HD2
11 B GLN 76 1HE2
11 B GLN 76 2HE2
11 B GLN 87 1HE2
11 B GLN 87 2HE2
11 B GLN 100 1HE2
11 B GLN 100 2HE2
11 B GLN 121 1HE2
11 B GLN 121 2HE2
12 A ASN 3 1HD2
12 A ASN 3 2HD2
12 A GLN 5 1HE2
12 A GLN 5 2HE2
12 A GLN 16 1HE2
12 A GLN 16 2HE2
12 A GLN 29 1HE2
12 A GLN 29 2HE2
12 A GLN 50 1HE2
12 A GLN 50 2HE2
12 B ASN 74 1HD2
12 B ASN 74 2HD2
12 B GLN 76 1HE2
12 B GLN 76 2HE2
12 B GLN 87 1HE2
12 B GLN 87 2HE2
12 B GLN 100 1HE2
12 B GLN 100 2HE2
12 B GLN 121 1HE2
12 B GLN 121 2HE2
13 A ASN 3 1HD2
13 A ASN 3 2HD2
13 A GLN 5 1HE2
13 A GLN 5 2HE2
13 A GLN 16 1HE2
13 A GLN 16 2HE2
13 A GLN 29 1HE2
13 A GLN 29 2HE2
13 A GLN 50 1HE2
13 A GLN 50 2HE2
13 B ASN 74 1HD2
13 B ASN 74 2HD2
13 B GLN 76 1HE2
13 B GLN 76 2HE2
13 B GLN 87 1HE2
13 B GLN 87 2HE2
13 B GLN 100 1HE2
13 B GLN 100 2HE2
13 B GLN 121 1HE2
13 B GLN 121 2HE2
14 A ASN 3 1HD2
14 A ASN 3 2HD2
14 A GLN 5 1HE2
14 A GLN 5 2HE2
14 A GLN 16 1HE2
14 A GLN 16 2HE2
14 A GLN 29 1HE2
14 A GLN 29 2HE2
14 A GLN 50 1HE2
14 A GLN 50 2HE2
14 B ASN 74 1HD2
14 B ASN 74 2HD2
14 B GLN 76 1HE2
14 B GLN 76 2HE2
14 B GLN 87 1HE2
14 B GLN 87 2HE2
14 B GLN 100 1HE2
14 B GLN 100 2HE2
14 B GLN 121 1HE2
14 B GLN 121 2HE2
15 A ASN 3 1HD2
15 A ASN 3 2HD2
15 A GLN 5 1HE2
15 A GLN 5 2HE2
15 A GLN 16 1HE2
15 A GLN 16 2HE2
15 A GLN 29 1HE2
15 A GLN 29 2HE2
15 A GLN 50 1HE2
15 A GLN 50 2HE2
15 B ASN 74 1HD2
15 B ASN 74 2HD2
15 B GLN 76 1HE2
15 B GLN 76 2HE2
15 B GLN 87 1HE2
15 B GLN 87 2HE2
15 B GLN 100 1HE2
15 B GLN 100 2HE2
15 B GLN 121 1HE2
15 B GLN 121 2HE2
16 A ASN 3 1HD2
16 A ASN 3 2HD2
16 A GLN 5 1HE2
16 A GLN 5 2HE2
16 A GLN 16 1HE2
16 A GLN 16 2HE2
16 A GLN 29 1HE2
16 A GLN 29 2HE2
16 A GLN 50 1HE2
16 A GLN 50 2HE2
16 B ASN 74 1HD2
16 B ASN 74 2HD2
16 B GLN 76 1HE2
16 B GLN 76 2HE2
16 B GLN 87 1HE2
16 B GLN 87 2HE2
16 B GLN 100 1HE2
16 B GLN 100 2HE2
16 B GLN 121 1HE2
16 B GLN 121 2HE2
17 A ASN 3 1HD2
17 A ASN 3 2HD2
17 A GLN 5 1HE2
17 A GLN 5 2HE2
17 A GLN 16 1HE2
17 A GLN 16 2HE2
17 A GLN 29 1HE2
17 A GLN 29 2HE2
17 A GLN 50 1HE2
17 A GLN 50 2HE2
17 B ASN 74 1HD2
17 B ASN 74 2HD2
17 B GLN 76 1HE2
17 B GLN 76 2HE2
17 B GLN 87 1HE2
17 B GLN 87 2HE2
17 B GLN 100 1HE2
17 B GLN 100 2HE2
17 B GLN 121 1HE2
17 B GLN 121 2HE2
18 A ASN 3 1HD2
18 A ASN 3 2HD2
18 A GLN 5 1HE2
18 A GLN 5 2HE2
18 A GLN 16 1HE2
18 A GLN 16 2HE2
18 A GLN 29 1HE2
18 A GLN 29 2HE2
18 A GLN 50 1HE2
18 A GLN 50 2HE2
18 B ASN 74 1HD2
18 B ASN 74 2HD2
18 B GLN 76 1HE2
18 B GLN 76 2HE2
18 B GLN 87 1HE2
18 B GLN 87 2HE2
18 B GLN 100 1HE2
18 B GLN 100 2HE2
18 B GLN 121 1HE2
18 B GLN 121 2HE2
19 A ASN 3 1HD2
19 A ASN 3 2HD2
19 A GLN 5 1HE2
19 A GLN 5 2HE2
19 A GLN 16 1HE2
19 A GLN 16 2HE2
19 A GLN 29 1HE2
19 A GLN 29 2HE2
19 A GLN 50 1HE2
19 A GLN 50 2HE2
19 B ASN 74 1HD2
19 B ASN 74 2HD2
19 B GLN 76 1HE2
19 B GLN 76 2HE2
19 B GLN 87 1HE2
19 B GLN 87 2HE2
19 B GLN 100 1HE2
19 B GLN 100 2HE2
19 B GLN 121 1HE2
19 B GLN 121 2HE2
20 A ASN 3 1HD2
20 A ASN 3 2HD2
20 A GLN 5 1HE2
20 A GLN 5 2HE2
20 A GLN 16 1HE2
20 A GLN 16 2HE2
20 A GLN 29 1HE2
20 A GLN 29 2HE2
20 A GLN 50 1HE2
20 A GLN 50 2HE2
20 B ASN 74 1HD2
20 B ASN 74 2HD2
20 B GLN 76 1HE2
20 B GLN 76 2HE2
20 B GLN 87 1HE2
20 B GLN 87 2HE2
20 B GLN 100 1HE2
20 B GLN 100 2HE2
20 B GLN 121 1HE2
20 B GLN 121 2HE2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 2) HD2
ASP( 1 A 19) HD2
GLU( 1 A 22) HE2
GLU( 1 A 26) HE2
GLU( 1 A 37) HE2
ASP( 1 A 45) HD2
GLU( 1 A 52) HE2
GLU( 1 A 54) HE2
ASP( 1 A 58) HD2
GLU( 1 A 65) HE2
ASP( 1 B 73) HD2
ASP( 1 B 90) HD2
GLU( 1 B 93) HE2
GLU( 1 B 97) HE2
GLU( 1 B 108) HE2
ASP( 1 B 116) HD2
GLU( 1 B 123) HE2
GLU( 1 B 125) HE2
ASP( 1 B 129) HD2
GLU( 1 B 136) HE2
ASP( 2 A 2) HD2
ASP( 2 A 19) HD2
GLU( 2 A 22) HE2
GLU( 2 A 26) HE2
GLU( 2 A 37) HE2
ASP( 2 A 45) HD2
GLU( 2 A 52) HE2
GLU( 2 A 54) HE2
ASP( 2 A 58) HD2
GLU( 2 A 65) HE2
ASP( 2 B 73) HD2
ASP( 2 B 90) HD2
GLU( 2 B 93) HE2
GLU( 2 B 97) HE2
GLU( 2 B 108) HE2
ASP( 2 B 116) HD2
GLU( 2 B 123) HE2
GLU( 2 B 125) HE2
ASP( 2 B 129) HD2
GLU( 2 B 136) HE2
ASP( 3 A 2) HD2
ASP( 3 A 19) HD2
GLU( 3 A 22) HE2
GLU( 3 A 26) HE2
GLU( 3 A 37) HE2
ASP( 3 A 45) HD2
GLU( 3 A 52) HE2
GLU( 3 A 54) HE2
ASP( 3 A 58) HD2
GLU( 3 A 65) HE2
ASP( 3 B 73) HD2
ASP( 3 B 90) HD2
GLU( 3 B 93) HE2
GLU( 3 B 97) HE2
GLU( 3 B 108) HE2
ASP( 3 B 116) HD2
GLU( 3 B 123) HE2
GLU( 3 B 125) HE2
ASP( 3 B 129) HD2
GLU( 3 B 136) HE2
ASP( 4 A 2) HD2
ASP( 4 A 19) HD2
GLU( 4 A 22) HE2
GLU( 4 A 26) HE2
GLU( 4 A 37) HE2
ASP( 4 A 45) HD2
GLU( 4 A 52) HE2
GLU( 4 A 54) HE2
ASP( 4 A 58) HD2
GLU( 4 A 65) HE2
ASP( 4 B 73) HD2
ASP( 4 B 90) HD2
GLU( 4 B 93) HE2
GLU( 4 B 97) HE2
GLU( 4 B 108) HE2
ASP( 4 B 116) HD2
GLU( 4 B 123) HE2
GLU( 4 B 125) HE2
ASP( 4 B 129) HD2
GLU( 4 B 136) HE2
ASP( 5 A 2) HD2
ASP( 5 A 19) HD2
GLU( 5 A 22) HE2
GLU( 5 A 26) HE2
GLU( 5 A 37) HE2
ASP( 5 A 45) HD2
GLU( 5 A 52) HE2
GLU( 5 A 54) HE2
ASP( 5 A 58) HD2
GLU( 5 A 65) HE2
ASP( 5 B 73) HD2
ASP( 5 B 90) HD2
GLU( 5 B 93) HE2
GLU( 5 B 97) HE2
GLU( 5 B 108) HE2
ASP( 5 B 116) HD2
GLU( 5 B 123) HE2
GLU( 5 B 125) HE2
ASP( 5 B 129) HD2
GLU( 5 B 136) HE2
ASP( 6 A 2) HD2
ASP( 6 A 19) HD2
GLU( 6 A 22) HE2
GLU( 6 A 26) HE2
GLU( 6 A 37) HE2
ASP( 6 A 45) HD2
GLU( 6 A 52) HE2
GLU( 6 A 54) HE2
ASP( 6 A 58) HD2
GLU( 6 A 65) HE2
ASP( 6 B 73) HD2
ASP( 6 B 90) HD2
GLU( 6 B 93) HE2
GLU( 6 B 97) HE2
GLU( 6 B 108) HE2
ASP( 6 B 116) HD2
GLU( 6 B 123) HE2
GLU( 6 B 125) HE2
ASP( 6 B 129) HD2
GLU( 6 B 136) HE2
ASP( 7 A 2) HD2
ASP( 7 A 19) HD2
GLU( 7 A 22) HE2
GLU( 7 A 26) HE2
GLU( 7 A 37) HE2
ASP( 7 A 45) HD2
GLU( 7 A 52) HE2
GLU( 7 A 54) HE2
ASP( 7 A 58) HD2
GLU( 7 A 65) HE2
ASP( 7 B 73) HD2
ASP( 7 B 90) HD2
GLU( 7 B 93) HE2
GLU( 7 B 97) HE2
GLU( 7 B 108) HE2
ASP( 7 B 116) HD2
GLU( 7 B 123) HE2
GLU( 7 B 125) HE2
ASP( 7 B 129) HD2
GLU( 7 B 136) HE2
ASP( 8 A 2) HD2
ASP( 8 A 19) HD2
GLU( 8 A 22) HE2
GLU( 8 A 26) HE2
GLU( 8 A 37) HE2
ASP( 8 A 45) HD2
GLU( 8 A 52) HE2
GLU( 8 A 54) HE2
ASP( 8 A 58) HD2
GLU( 8 A 65) HE2
ASP( 8 B 73) HD2
ASP( 8 B 90) HD2
GLU( 8 B 93) HE2
GLU( 8 B 97) HE2
GLU( 8 B 108) HE2
ASP( 8 B 116) HD2
GLU( 8 B 123) HE2
GLU( 8 B 125) HE2
ASP( 8 B 129) HD2
GLU( 8 B 136) HE2
ASP( 9 A 2) HD2
ASP( 9 A 19) HD2
GLU( 9 A 22) HE2
GLU( 9 A 26) HE2
GLU( 9 A 37) HE2
ASP( 9 A 45) HD2
GLU( 9 A 52) HE2
GLU( 9 A 54) HE2
ASP( 9 A 58) HD2
GLU( 9 A 65) HE2
ASP( 9 B 73) HD2
ASP( 9 B 90) HD2
GLU( 9 B 93) HE2
GLU( 9 B 97) HE2
GLU( 9 B 108) HE2
ASP( 9 B 116) HD2
GLU( 9 B 123) HE2
GLU( 9 B 125) HE2
ASP( 9 B 129) HD2
GLU( 9 B 136) HE2
ASP( 10 A 2) HD2
ASP( 10 A 19) HD2
GLU( 10 A 22) HE2
GLU( 10 A 26) HE2
GLU( 10 A 37) HE2
ASP( 10 A 45) HD2
GLU( 10 A 52) HE2
GLU( 10 A 54) HE2
ASP( 10 A 58) HD2
GLU( 10 A 65) HE2
ASP( 10 B 73) HD2
ASP( 10 B 90) HD2
GLU( 10 B 93) HE2
GLU( 10 B 97) HE2
GLU( 10 B 108) HE2
ASP( 10 B 116) HD2
GLU( 10 B 123) HE2
GLU( 10 B 125) HE2
ASP( 10 B 129) HD2
GLU( 10 B 136) HE2
ASP( 11 A 2) HD2
ASP( 11 A 19) HD2
GLU( 11 A 22) HE2
GLU( 11 A 26) HE2
GLU( 11 A 37) HE2
ASP( 11 A 45) HD2
GLU( 11 A 52) HE2
GLU( 11 A 54) HE2
ASP( 11 A 58) HD2
GLU( 11 A 65) HE2
ASP( 11 B 73) HD2
ASP( 11 B 90) HD2
GLU( 11 B 93) HE2
GLU( 11 B 97) HE2
GLU( 11 B 108) HE2
ASP( 11 B 116) HD2
GLU( 11 B 123) HE2
GLU( 11 B 125) HE2
ASP( 11 B 129) HD2
GLU( 11 B 136) HE2
ASP( 12 A 2) HD2
ASP( 12 A 19) HD2
GLU( 12 A 22) HE2
GLU( 12 A 26) HE2
GLU( 12 A 37) HE2
ASP( 12 A 45) HD2
GLU( 12 A 52) HE2
GLU( 12 A 54) HE2
ASP( 12 A 58) HD2
GLU( 12 A 65) HE2
ASP( 12 B 73) HD2
ASP( 12 B 90) HD2
GLU( 12 B 93) HE2
GLU( 12 B 97) HE2
GLU( 12 B 108) HE2
ASP( 12 B 116) HD2
GLU( 12 B 123) HE2
GLU( 12 B 125) HE2
ASP( 12 B 129) HD2
GLU( 12 B 136) HE2
ASP( 13 A 2) HD2
ASP( 13 A 19) HD2
GLU( 13 A 22) HE2
GLU( 13 A 26) HE2
GLU( 13 A 37) HE2
ASP( 13 A 45) HD2
GLU( 13 A 52) HE2
GLU( 13 A 54) HE2
ASP( 13 A 58) HD2
GLU( 13 A 65) HE2
ASP( 13 B 73) HD2
ASP( 13 B 90) HD2
GLU( 13 B 93) HE2
GLU( 13 B 97) HE2
GLU( 13 B 108) HE2
ASP( 13 B 116) HD2
GLU( 13 B 123) HE2
GLU( 13 B 125) HE2
ASP( 13 B 129) HD2
GLU( 13 B 136) HE2
ASP( 14 A 2) HD2
ASP( 14 A 19) HD2
GLU( 14 A 22) HE2
GLU( 14 A 26) HE2
GLU( 14 A 37) HE2
ASP( 14 A 45) HD2
GLU( 14 A 52) HE2
GLU( 14 A 54) HE2
ASP( 14 A 58) HD2
GLU( 14 A 65) HE2
ASP( 14 B 73) HD2
ASP( 14 B 90) HD2
GLU( 14 B 93) HE2
GLU( 14 B 97) HE2
GLU( 14 B 108) HE2
ASP( 14 B 116) HD2
GLU( 14 B 123) HE2
GLU( 14 B 125) HE2
ASP( 14 B 129) HD2
GLU( 14 B 136) HE2
ASP( 15 A 2) HD2
ASP( 15 A 19) HD2
GLU( 15 A 22) HE2
GLU( 15 A 26) HE2
GLU( 15 A 37) HE2
ASP( 15 A 45) HD2
GLU( 15 A 52) HE2
GLU( 15 A 54) HE2
ASP( 15 A 58) HD2
GLU( 15 A 65) HE2
ASP( 15 B 73) HD2
ASP( 15 B 90) HD2
GLU( 15 B 93) HE2
GLU( 15 B 97) HE2
GLU( 15 B 108) HE2
ASP( 15 B 116) HD2
GLU( 15 B 123) HE2
GLU( 15 B 125) HE2
ASP( 15 B 129) HD2
GLU( 15 B 136) HE2
ASP( 16 A 2) HD2
ASP( 16 A 19) HD2
GLU( 16 A 22) HE2
GLU( 16 A 26) HE2
GLU( 16 A 37) HE2
ASP( 16 A 45) HD2
GLU( 16 A 52) HE2
GLU( 16 A 54) HE2
ASP( 16 A 58) HD2
GLU( 16 A 65) HE2
ASP( 16 B 73) HD2
ASP( 16 B 90) HD2
GLU( 16 B 93) HE2
GLU( 16 B 97) HE2
GLU( 16 B 108) HE2
ASP( 16 B 116) HD2
GLU( 16 B 123) HE2
GLU( 16 B 125) HE2
ASP( 16 B 129) HD2
GLU( 16 B 136) HE2
ASP( 17 A 2) HD2
ASP( 17 A 19) HD2
GLU( 17 A 22) HE2
GLU( 17 A 26) HE2
GLU( 17 A 37) HE2
ASP( 17 A 45) HD2
GLU( 17 A 52) HE2
GLU( 17 A 54) HE2
ASP( 17 A 58) HD2
GLU( 17 A 65) HE2
ASP( 17 B 73) HD2
ASP( 17 B 90) HD2
GLU( 17 B 93) HE2
GLU( 17 B 97) HE2
GLU( 17 B 108) HE2
ASP( 17 B 116) HD2
GLU( 17 B 123) HE2
GLU( 17 B 125) HE2
ASP( 17 B 129) HD2
GLU( 17 B 136) HE2
ASP( 18 A 2) HD2
ASP( 18 A 19) HD2
GLU( 18 A 22) HE2
GLU( 18 A 26) HE2
GLU( 18 A 37) HE2
ASP( 18 A 45) HD2
GLU( 18 A 52) HE2
GLU( 18 A 54) HE2
ASP( 18 A 58) HD2
GLU( 18 A 65) HE2
ASP( 18 B 73) HD2
ASP( 18 B 90) HD2
GLU( 18 B 93) HE2
GLU( 18 B 97) HE2
GLU( 18 B 108) HE2
ASP( 18 B 116) HD2
GLU( 18 B 123) HE2
GLU( 18 B 125) HE2
ASP( 18 B 129) HD2
GLU( 18 B 136) HE2
ASP( 19 A 2) HD2
ASP( 19 A 19) HD2
GLU( 19 A 22) HE2
GLU( 19 A 26) HE2
GLU( 19 A 37) HE2
ASP( 19 A 45) HD2
GLU( 19 A 52) HE2
GLU( 19 A 54) HE2
ASP( 19 A 58) HD2
GLU( 19 A 65) HE2
ASP( 19 B 73) HD2
ASP( 19 B 90) HD2
GLU( 19 B 93) HE2
GLU( 19 B 97) HE2
GLU( 19 B 108) HE2
ASP( 19 B 116) HD2
GLU( 19 B 123) HE2
GLU( 19 B 125) HE2
ASP( 19 B 129) HD2
GLU( 19 B 136) HE2
ASP( 20 A 2) HD2
ASP( 20 A 19) HD2
GLU( 20 A 22) HE2
GLU( 20 A 26) HE2
GLU( 20 A 37) HE2
ASP( 20 A 45) HD2
GLU( 20 A 52) HE2
GLU( 20 A 54) HE2
ASP( 20 A 58) HD2
GLU( 20 A 65) HE2
ASP( 20 B 73) HD2
ASP( 20 B 90) HD2
GLU( 20 B 93) HE2
GLU( 20 B 97) HE2
GLU( 20 B 108) HE2
ASP( 20 B 116) HD2
GLU( 20 B 123) HE2
GLU( 20 B 125) HE2
ASP( 20 B 129) HD2
GLU( 20 B 136) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 71) O2
HIS( 1 B 142) O2
HIS( 2 A 71) O2
HIS( 2 B 142) O2
HIS( 3 A 71) O2
HIS( 3 B 142) O2
HIS( 4 A 71) O2
HIS( 4 B 142) O2
HIS( 5 A 71) O2
HIS( 5 B 142) O2
HIS( 6 A 71) O2
HIS( 6 B 142) O2
HIS( 7 A 71) O2
HIS( 7 B 142) O2
HIS( 8 A 71) O2
HIS( 8 B 142) O2
HIS( 9 A 71) O2
HIS( 9 B 142) O2
HIS( 10 A 71) O2
HIS( 10 B 142) O2
HIS( 11 A 71) O2
HIS( 11 B 142) O2
HIS( 12 A 71) O2
HIS( 12 B 142) O2
HIS( 13 A 71) O2
HIS( 13 B 142) O2
HIS( 14 A 71) O2
HIS( 14 B 142) O2
HIS( 15 A 71) O2
HIS( 15 B 142) O2
HIS( 16 A 71) O2
HIS( 16 B 142) O2
HIS( 17 A 71) O2
HIS( 17 B 142) O2
HIS( 18 A 71) O2
HIS( 18 B 142) O2
HIS( 19 A 71) O2
HIS( 19 B 142) O2
HIS( 20 A 71) O2
HIS( 20 B 142) O2
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: LEU CHNID: A SSEQ: 65) in Token 'HELIX' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: ALA CHNID: A SSEQ: 67) in Token 'HELIX' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: ASP CHNID: A SSEQ: 38) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: GLU CHNID: A SSEQ: 41) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: THR CHNID: A SSEQ: 46) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: GLU CHNID: A SSEQ: 45) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: LYS CHNID: A SSEQ: 33) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: ILE CHNID: A SSEQ: 60) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: ILE CHNID: A SSEQ: 53) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: ILE CHNID: A SSEQ: 42) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: GLN CHNID: A SSEQ: 69) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: VAL CHNID: A SSEQ: 80) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: GLU CHNID: A SSEQ: 73) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: GLY CHNID: A SSEQ: 59) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: GLN CHNID: A SSEQ: 24) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: THR CHNID: A SSEQ: 29) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: LEU CHNID: A SSEQ: 26) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: VAL CHNID: A SSEQ: 72) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: GLN CHNID: B SSEQ: 95) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: THR CHNID: B SSEQ: 100) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: SER CHNID: B SSEQ: 98) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: SER CHNID: A SSEQ: 27) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: GLN CHNID: B SSEQ: 140) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: VAL CHNID: B SSEQ: 151) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: VAL CHNID: B SSEQ: 141) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: LEU CHNID: B SSEQ: 99) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: GLY CHNID: B SSEQ: 130) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: SER CHNID: B SSEQ: 123) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: VAL CHNID: B SSEQ: 151) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: GLU CHNID: B SSEQ: 112) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: THR CHNID: B SSEQ: 117) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: LEU CHNID: B SSEQ: 122) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (RES: ASP CHNID: B SSEQ: 109) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: LYS CHNID: B SSEQ: 104) in Token 'SHEET' can not be found in coordinates
DHR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: GLU CHNID: B SSEQ: 116) in Token 'SHEET' can not be found in coordinates