Detailed results of SSR10_R3Cons_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1661
# INTRA-RESIDUE RESTRAINTS (I=J) : 542
# SEQUENTIAL RESTRAINTS (I-J)=1 : 444
# BACKBONE-BACKBONE : 131
# BACKBONE-SIDE CHAIN : 18
# SIDE CHAIN-SIDE CHAIN : 295
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 362
# BACKBONE-BACKBONE : 144
# BACKBONE-SIDE CHAIN : 129
# SIDE CHAIN-SIDE CHAIN : 89
# LONG RANGE RESTRAINTS (I-J)>=5 : 313
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1661
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 0.0 0.0 0.0 0.0 0.0
SER 2 0 0.0 0.0 0.0 0.0 0.0
ILE 3 4 4.0 3.5 0.5 0.0 0.0
SER 4 0 6.5 5.5 0.0 1.0 0.0
THR 5 1 10.5 4.0 4.5 2.0 0.0
SER 6 3 7.0 3.5 3.5 0.0 0.0
ALA 7 0 12.0 2.0 3.0 7.0 0.0
GLU 8 6 10.0 2.0 4.0 4.0 0.0
VAL 9 2 10.5 4.5 5.0 1.0 0.0
TYR 10 2 22.0 4.5 5.5 12.0 0.0
TYR 11 2 16.5 4.5 3.0 9.0 0.0
GLU 12 3 9.5 4.5 4.5 0.5 0.0
GLU 13 9 8.5 5.0 3.5 0.0 0.0
ALA 14 0 14.5 4.0 4.0 6.5 0.0
GLU 15 7 6.0 1.5 4.5 0.0 0.0
GLU 16 8 7.5 4.0 3.5 0.0 0.0
PHE 17 2 17.0 5.0 5.0 7.0 0.0
LEU 18 7 14.0 5.5 5.0 3.5 0.0
SER 19 0 5.5 4.0 1.5 0.0 0.0
LYS 20 5 7.5 2.5 5.0 0.0 0.0
GLY 21 0 4.0 2.5 1.5 0.0 0.0
ASP 22 3 8.0 2.5 3.5 2.0 0.0
LEU 23 7 15.5 5.0 2.5 8.0 0.0
VAL 24 4 11.0 7.0 3.0 1.0 0.0
GLN 25 13 8.0 6.0 1.0 1.0 0.0
ALA 26 0 15.0 4.0 4.0 7.0 0.0
CYS 27 3 8.0 4.0 3.5 0.5 0.0
GLU 28 3 4.5 2.5 2.0 0.0 0.0
LYS 29 0 8.5 2.5 1.5 4.5 0.0
TYR 30 0 8.5 2.5 3.5 2.5 0.0
TYR 31 3 11.5 2.0 5.5 4.0 0.0
LYS 32 10 8.0 3.5 1.5 3.0 0.0
ALA 33 0 17.5 3.0 4.0 10.5 0.0
ALA 34 0 11.5 1.5 3.0 7.0 0.0
GLU 35 9 13.0 2.5 4.5 6.0 0.0
GLU 36 6 13.5 4.5 2.0 7.0 0.0
ALA 37 0 14.0 3.0 3.5 7.5 0.0
ILE 38 9 13.0 2.0 3.0 8.0 0.0
LYS 39 0 5.5 2.5 2.5 0.5 0.0
LEU 40 10 9.5 3.0 4.0 2.5 0.0
LEU 41 8 17.5 4.5 8.0 5.0 0.0
VAL 42 2 18.0 5.0 2.0 11.0 0.0
ILE 43 8 9.0 4.5 2.5 2.0 0.0
GLU 44 9 4.5 4.5 0.0 0.0 0.0
ASN 45 3 11.0 3.0 6.5 1.5 0.0
ASN 46 6 2.0 1.5 0.5 0.0 0.0
LEU 47 7 10.0 3.0 1.0 6.0 0.0
LYS 48 9 9.0 4.0 5.0 0.0 0.0
GLU 49 10 9.5 4.5 3.5 1.5 0.0
ILE 50 7 18.0 5.5 3.0 9.5 0.0
THR 51 3 7.0 4.0 2.5 0.5 0.0
ASN 52 0 8.5 1.5 7.0 0.0 0.0
ASN 53 4 5.0 1.5 3.0 0.5 0.0
VAL 54 2 9.5 3.5 3.0 3.0 0.0
LYS 55 7 6.5 6.0 0.5 0.0 0.0
ASN 56 3 7.0 6.0 1.0 0.0 0.0
LYS 57 10 5.0 5.0 0.0 0.0 0.0
GLY 58 0 4.0 4.0 0.0 0.0 0.0
ARG 59 4 4.5 4.5 0.0 0.0 0.0
TRP 60 4 18.0 5.0 0.0 13.0 0.0
LYS 61 6 5.5 4.0 1.5 0.0 0.0
SER 62 5 3.0 2.5 0.5 0.0 0.0
GLU 63 3 5.5 3.5 2.0 0.0 0.0
ASN 64 6 10.0 5.5 3.5 1.0 0.0
LEU 65 7 14.0 4.0 2.0 8.0 0.0
PHE 66 4 4.5 3.5 1.0 0.0 0.0
LYS 67 9 11.0 3.5 4.5 3.0 0.0
ALA 68 0 8.0 2.0 2.5 3.5 0.0
SER 69 3 8.5 2.0 2.0 4.5 0.0
LYS 70 9 6.0 4.5 1.5 0.0 0.0
LEU 71 8 9.0 5.5 2.0 1.5 0.0
LEU 72 6 10.0 3.0 2.0 5.0 0.0
ARG 73 10 5.5 3.0 2.5 0.0 0.0
SER 74 0 3.5 3.0 0.5 0.0 0.0
ASN 75 6 4.0 2.0 2.0 0.0 0.0
ASN 76 0 6.0 3.0 3.0 0.0 0.0
THR 77 3 5.5 3.0 2.5 0.0 0.0
GLU 78 9 9.5 3.0 6.5 0.0 0.0
ILE 79 4 14.0 4.5 6.0 3.5 0.0
PRO 80 0 7.5 4.5 1.5 1.5 0.0
ILE 81 10 9.5 4.0 5.5 0.0 0.0
LEU 82 8 23.0 6.0 7.0 10.0 0.0
TRP 83 2 19.0 4.0 4.0 11.0 0.0
LYS 84 8 6.5 2.0 4.5 0.0 0.0
SER 85 3 6.5 3.5 2.0 1.0 0.0
ALA 86 0 11.0 2.5 3.0 5.5 0.0
TRP 87 4 6.5 1.5 4.0 1.0 0.0
THR 88 1 7.5 2.5 4.5 0.5 0.0
LEU 89 4 9.0 3.0 2.0 4.0 0.0
HIS 90 4 5.0 4.0 1.0 0.0 0.0
VAL 91 2 8.5 4.5 4.0 0.0 0.0
GLU 92 2 3.5 2.5 1.0 0.0 0.0
GLY 93 0 1.0 1.0 0.0 0.0 0.0
PHE 94 2 3.0 3.0 0.0 0.0 0.0
HIS 95 3 3.0 3.0 0.0 0.0 0.0
GLU 96 0 1.0 1.0 0.0 0.0 0.0
LEU 97 11 4.5 4.0 0.5 0.0 0.0
SER 98 2 6.0 5.0 0.0 1.0 0.0
LEU 99 7 6.0 5.0 0.5 0.5 0.0
ASN 100 2 8.0 5.5 2.0 0.5 0.0
GLU 101 4 15.5 4.5 4.5 6.5 0.0
LYS 102 11 7.0 4.5 2.5 0.0 0.0
GLU 103 3 8.5 5.5 3.0 0.0 0.0
VAL 104 3 11.5 5.5 5.0 1.0 0.0
LYS 105 10 8.5 3.5 5.0 0.0 0.0
LYS 106 5 5.0 2.5 2.5 0.0 0.0
LEU 107 6 9.5 2.5 4.5 2.5 0.0
LYS 108 5 7.5 3.0 4.5 0.0 0.0
GLU 109 3 7.5 2.5 5.0 0.0 0.0
ASP 110 2 9.0 2.5 4.0 2.5 0.0
VAL 111 2 19.0 3.5 5.5 10.0 0.0
ARG 112 4 11.5 3.0 6.5 2.0 0.0
LYS 113 9 9.0 2.0 2.5 4.5 0.0
LEU 114 9 17.5 4.5 4.5 8.5 0.0
VAL 115 3 19.0 4.5 5.5 9.0 0.0
ILE 116 10 11.5 5.0 6.5 0.0 0.0
PHE 117 2 13.5 6.0 4.5 3.0 0.0
ALA 118 0 12.0 2.5 4.5 5.0 0.0
VAL 119 4 8.0 3.0 3.5 1.5 0.0
ASN 120 3 9.0 4.5 4.5 0.0 0.0
SER 121 2 7.5 5.0 2.5 0.0 0.0
LEU 122 4 7.5 5.0 1.5 1.0 0.0
GLU 123 5 3.5 3.0 0.5 0.0 0.0
HIS 124 5 1.0 1.0 0.0 0.0 0.0
HIS 125 5 0.5 0.5 0.0 0.0 0.0
HIS 126 3 0.5 0.5 0.0 0.0 0.0
HIS 127 0 0.0 0.0 0.0 0.0 0.0
HIS 128 0 0.0 0.0 0.0 0.0 0.0
HIS 129 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 542 1119.0 444.0 362.0 313.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1661.0
List of conformationally-resticting NOE constraints
assign ((resid 4 and name HN )) ( (resid 5 and name HN )) 2.66 0.86 0.86
assign ((resid 6 and name HB2 )) ( (resid 7 and name HN )) 3.43 1.63 1.63
assign ((resid 6 and name HB1 )) ( (resid 7 and name HN )) 3.43 1.63 1.63
assign ((resid 7 and name HN )) ( (resid 8 and name HN )) 2.82 1.02 1.02
assign ((resid 9 and name HB )) ( (resid 10 and name HN )) 2.42 0.63 0.63
assign ((resid 10 and name HN )) ( (resid 11 and name HN )) 2.82 1.02 1.02
assign ((resid 10 and name HB1 )) ( (resid 11 and name HN )) 3.02 1.22 1.22
assign ((resid 10 and name HB2 )) ( (resid 11 and name HN )) 2.94 1.15 1.15
assign ((resid 11 and name HN )) ( (resid 12 and name HN )) 2.60 0.81 0.81
assign ((resid 11 and name HB2 )) ( (resid 12 and name HN )) 3.00 1.20 1.20
assign ((resid 11 and name HB1 )) ( (resid 12 and name HN )) 2.71 0.91 0.91
assign ((resid 12 and name HB2 )) ( (resid 13 and name HN )) 2.94 1.15 1.15
assign ((resid 12 and name HB1 )) ( (resid 13 and name HN )) 2.94 1.15 1.15
assign ((resid 13 and name HN )) ( (resid 14 and name HN )) 2.75 0.95 0.95
assign ((resid 13 and name HB2 )) ( (resid 14 and name HN )) 2.78 0.99 0.99
assign ((resid 13 and name HB1 )) ( (resid 14 and name HN )) 2.78 0.99 0.99
assign ((resid 14 and name HN )) ( (resid 15 and name HN )) 2.62 0.82 0.82
assign ((resid 16 and name HA )) ( (resid 17 and name HN )) 2.62 0.82 0.82
assign ((resid 17 and name HB2 )) ( (resid 18 and name HN )) 2.89 1.09 1.09
assign ((resid 17 and name HB1 )) ( (resid 18 and name HN )) 3.05 1.26 1.26
assign ((resid 18 and name HN )) ( (resid 19 and name HN )) 2.62 0.82 0.82
assign ((resid 18 and name HB2 )) ( (resid 19 and name HN )) 2.91 1.11 1.11
assign ((resid 18 and name HB1 )) ( (resid 19 and name HN )) 2.91 1.11 1.11
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 2.57 0.77 0.77
assign ((resid 20 and name HB2 )) ( (resid 21 and name HN )) 3.52 1.72 1.72
assign ((resid 20 and name HB1 )) ( (resid 21 and name HN )) 3.52 1.72 1.72
assign ((resid 22 and name HB2 )) ( (resid 23 and name HN )) 3.90 2.10 2.10
assign ((resid 22 and name HB1 )) ( (resid 23 and name HN )) 3.90 2.10 2.10
assign ((resid 23 and name HB2 )) ( (resid 24 and name HN )) 2.82 1.02 1.02
assign ((resid 24 and name HN )) ( (resid 25 and name HN )) 2.55 0.75 0.75
assign ((resid 25 and name HN )) ( (resid 26 and name HN )) 2.53 0.73 0.73
assign ((resid 25 and name HB1 )) ( (resid 26 and name HN )) 3.03 1.24 1.24
assign ((resid 25 and name HB2 )) ( (resid 26 and name HN )) 2.76 0.97 0.97
assign ((resid 27 and name HN )) ( (resid 28 and name HN )) 2.75 0.95 0.95
assign ((resid 27 and name HB2 )) ( (resid 28 and name HN )) 3.07 1.27 1.27
assign ((resid 27 and name HB1 )) ( (resid 28 and name HN )) 3.07 1.27 1.27
assign ((resid 28 and name HN )) ( (resid 29 and name HN )) 2.66 0.86 0.86
assign ((resid 29 and name HN )) ( (resid 30 and name HN )) 2.66 0.86 0.86
assign ((resid 29 and name HB2 )) ( (resid 30 and name HN )) 3.20 1.40 1.40
assign ((resid 29 and name HB1 )) ( (resid 30 and name HN )) 3.20 1.40 1.40
assign ((resid 32 and name HN )) ( (resid 33 and name HN )) 2.66 0.86 0.86
assign ((resid 32 and name HB2 )) ( (resid 33 and name HN )) 2.96 1.17 1.17
assign ((resid 35 and name HN )) ( (resid 36 and name HN )) 2.66 0.86 0.86
assign ((resid 35 and name HB1 )) ( (resid 36 and name HN )) 2.85 1.06 1.06
assign ((resid 36 and name HN )) ( (resid 36 and name HB1 )) 2.84 1.04 1.04
assign ((resid 36 and name HB2 )) ( (resid 37 and name HN )) 3.27 1.47 1.47
assign ((resid 36 and name HB1 )) ( (resid 37 and name HN )) 3.27 1.47 1.47
assign ((resid 37 and name HN )) ( (resid 38 and name HN )) 2.64 0.84 0.84
assign ((resid 38 and name HN )) ( (resid 39 and name HN )) 2.62 0.82 0.82
assign ((resid 41 and name HB2 )) ( (resid 42 and name HN )) 3.07 1.27 1.27
assign ((resid 41 and name HB1 )) ( (resid 42 and name HN )) 3.07 1.27 1.27
assign ((resid 42 and name HN )) ( (resid 43 and name HN )) 2.67 0.88 0.88
assign ((resid 43 and name HN )) ( (resid 44 and name HN )) 2.66 0.86 0.86
assign ((resid 44 and name HN )) ( (resid 45 and name HN )) 2.75 0.95 0.95
assign ((resid 44 and name HB2 )) ( (resid 45 and name HN )) 3.05 1.26 1.26
assign ((resid 44 and name HB1 )) ( (resid 45 and name HN )) 3.05 1.26 1.26
assign ((resid 46 and name HN )) ( (resid 47 and name HN )) 2.71 0.91 0.91
assign ((resid 47 and name HA )) ( (resid 48 and name HN )) 2.37 0.57 0.57
assign ((resid 47 and name HB2 )) ( (resid 48 and name HN )) 3.09 1.29 1.29
assign ((resid 49 and name HB2 )) ( (resid 50 and name HN )) 3.29 1.49 1.49
assign ((resid 49 and name HB1 )) ( (resid 50 and name HN )) 3.29 1.49 1.49
assign ((resid 50 and name HN )) ( (resid 51 and name HN )) 2.48 0.68 0.68
assign ((resid 51 and name HN )) ( (resid 52 and name HN )) 2.64 0.84 0.84
assign ((resid 51 and name HB )) ( (resid 52 and name HN )) 2.94 1.15 1.15
assign ((resid 53 and name HB2 )) ( (resid 54 and name HN )) 2.94 1.15 1.15
assign ((resid 53 and name HB1 )) ( (resid 54 and name HN )) 2.94 1.15 1.15
assign ((resid 54 and name HN )) ( (resid 55 and name HN )) 2.66 0.86 0.86
assign ((resid 55 and name HB2 )) ( (resid 56 and name HN )) 2.84 1.04 1.04
assign ((resid 55 and name HB1 )) ( (resid 56 and name HN )) 2.84 1.04 1.04
assign ((resid 56 and name HN )) ( (resid 57 and name HN )) 2.62 0.82 0.82
assign ((resid 57 and name HB2 )) ( (resid 58 and name HN )) 3.16 1.36 1.36
assign ((resid 57 and name HB1 )) ( (resid 58 and name HN )) 3.16 1.36 1.36
assign ((resid 60 and name HN )) ( (resid 61 and name HN )) 3.18 1.38 1.38
assign ((resid 60 and name HB2 )) ( (resid 61 and name HN )) 3.00 1.20 1.20
assign ((resid 60 and name HB1 )) ( (resid 61 and name HN )) 3.12 1.33 1.33
assign ((resid 61 and name HA )) ( (resid 62 and name HN )) 2.60 0.81 0.81
assign ((resid 61 and name HB2 )) ( (resid 62 and name HN )) 3.29 1.49 1.49
assign ((resid 61 and name HB1 )) ( (resid 62 and name HN )) 3.29 1.49 1.49
assign ((resid 63 and name HN )) ( (resid 64 and name HN )) 2.82 1.02 1.02
assign ((resid 64 and name HB2 )) ( (resid 65 and name HN )) 3.14 1.35 1.35
assign ((resid 64 and name HB1 )) ( (resid 65 and name HN )) 3.14 1.35 1.35
assign ((resid 65 and name HN )) ( (resid 66 and name HN )) 2.69 0.90 0.90
assign ((resid 65 and name HB2 )) ( (resid 66 and name HN )) 2.89 1.09 1.09
assign ((resid 65 and name HB1 )) ( (resid 66 and name HN )) 3.05 1.26 1.26
assign ((resid 66 and name HN )) ( (resid 67 and name HN )) 2.69 0.90 0.90
assign ((resid 66 and name HB2 )) ( (resid 67 and name HN )) 3.03 1.24 1.24
assign ((resid 66 and name HB1 )) ( (resid 67 and name HN )) 3.03 1.24 1.24
assign ((resid 68 and name HN )) ( (resid 69 and name HN )) 2.66 0.86 0.86
assign ((resid 71 and name HB2 )) ( (resid 72 and name HN )) 2.96 1.17 1.17
assign ((resid 72 and name HN )) ( (resid 73 and name HN )) 2.69 0.90 0.90
assign ((resid 73 and name HN )) ( (resid 74 and name HN )) 2.62 0.82 0.82
assign ((resid 73 and name HB2 )) ( (resid 74 and name HN )) 3.12 1.33 1.33
assign ((resid 75 and name HN )) ( (resid 76 and name HN )) 2.39 0.59 0.59
assign ((resid 77 and name HN )) ( (resid 78 and name HN )) 2.67 0.88 0.88
assign ((resid 78 and name HN )) ( (resid 79 and name HN )) 2.58 0.79 0.79
assign ((resid 78 and name HB2 )) ( (resid 79 and name HN )) 2.80 1.00 1.00
assign ((resid 78 and name HB1 )) ( (resid 79 and name HN )) 2.94 1.15 1.15
assign ((resid 82 and name HB2 )) ( (resid 83 and name HN )) 3.09 1.29 1.29
assign ((resid 82 and name HB1 )) ( (resid 83 and name HN )) 3.09 1.29 1.29
assign ((resid 83 and name HN )) ( (resid 84 and name HN )) 2.64 0.84 0.84
assign ((resid 85 and name HB2 )) ( (resid 86 and name HN )) 2.98 1.18 1.18
assign ((resid 85 and name HB1 )) ( (resid 86 and name HN )) 2.98 1.18 1.18
assign ((resid 87 and name HN )) ( (resid 88 and name HN )) 2.75 0.95 0.95
assign ((resid 87 and name HB2 )) ( (resid 88 and name HN )) 3.25 1.45 1.45
assign ((resid 88 and name HB )) ( (resid 89 and name HN )) 2.78 0.99 0.99
assign ((resid 89 and name HN )) ( (resid 90 and name HN )) 2.73 0.93 0.93
assign ((resid 89 and name HB2 )) ( (resid 90 and name HN )) 2.91 1.11 1.11
assign ((resid 89 and name HB1 )) ( (resid 90 and name HN )) 3.21 1.42 1.42
assign ((resid 90 and name HB2 )) ( (resid 91 and name HN )) 3.20 1.40 1.40
assign ((resid 90 and name HB1 )) ( (resid 91 and name HN )) 3.20 1.40 1.40
assign ((resid 92 and name HN )) ( (resid 93 and name HN )) 2.75 0.95 0.95
assign ((resid 94 and name HN )) ( (resid 95 and name HN )) 2.64 0.84 0.84
assign ((resid 97 and name HB2 )) ( (resid 98 and name HN )) 3.34 1.54 1.54
assign ((resid 97 and name HB1 )) ( (resid 98 and name HN )) 3.34 1.54 1.54
assign ((resid 98 and name HB2 )) ( (resid 99 and name HN )) 3.25 1.45 1.45
assign ((resid 98 and name HB1 )) ( (resid 99 and name HN )) 3.25 1.45 1.45
assign ((resid 99 and name HN )) ( (resid 100 and name HN )) 3.57 1.78 1.78
assign ((resid 99 and name HB2 )) ( (resid 100 and name HN )) 3.34 1.54 1.54
assign ((resid 99 and name HB1 )) ( (resid 100 and name HN )) 3.09 1.29 1.29
assign ((resid 100 and name HA )) ( (resid 101 and name HN )) 2.53 0.73 0.73
assign ((resid 101 and name HN )) ( (resid 102 and name HN )) 2.69 0.90 0.90
assign ((resid 102 and name HN )) ( (resid 103 and name HN )) 2.51 0.72 0.72
assign ((resid 104 and name HN )) ( (resid 105 and name HN )) 2.62 0.82 0.82
assign ((resid 104 and name HB )) ( (resid 105 and name HN )) 2.60 0.81 0.81
assign ((resid 105 and name HN )) ( (resid 106 and name HN )) 2.58 0.79 0.79
assign ((resid 105 and name HB* )) ( (resid 106 and name HN )) 3.10 1.30 1.30
assign ((resid 106 and name HN )) ( (resid 107 and name HN )) 2.62 0.82 0.82
assign ((resid 110 and name HB2 )) ( (resid 111 and name HN )) 3.11 1.31 1.31
assign ((resid 110 and name HB1 )) ( (resid 111 and name HN )) 3.41 1.62 1.62
assign ((resid 111 and name HN )) ( (resid 112 and name HN )) 2.66 0.86 0.86
assign ((resid 111 and name HB )) ( (resid 112 and name HN )) 2.71 0.91 0.91
assign ((resid 114 and name HN )) ( (resid 115 and name HN )) 2.55 0.75 0.75
assign ((resid 113 and name HB2 )) ( (resid 114 and name HN )) 2.57 0.77 0.77
assign ((resid 113 and name HB1 )) ( (resid 114 and name HN )) 2.85 1.06 1.06
assign ((resid 114 and name HB1 )) ( (resid 115 and name HN )) 2.89 1.09 1.09
assign ((resid 115 and name HB )) ( (resid 116 and name HN )) 2.60 0.81 0.81
assign ((resid 116 and name HN )) ( (resid 117 and name HN )) 2.53 0.73 0.73
assign ((resid 116 and name HB )) ( (resid 117 and name HN )) 2.37 0.57 0.57
assign ((resid 119 and name HB )) ( (resid 120 and name HN )) 2.62 0.82 0.82
assign ((resid 120 and name HN )) ( (resid 121 and name HN )) 2.57 0.77 0.77
assign ((resid 120 and name HB2 )) ( (resid 121 and name HN )) 2.93 1.13 1.13
assign ((resid 120 and name HB1 )) ( (resid 121 and name HN )) 2.93 1.13 1.13
assign ((resid 121 and name HB2 )) ( (resid 122 and name HN )) 3.11 1.31 1.31
assign ((resid 121 and name HB1 )) ( (resid 122 and name HN )) 3.11 1.31 1.31
assign ((resid 123 and name HN )) ( (resid 124 and name HN )) 2.58 0.79 0.79
assign ((resid 123 and name HA )) ( (resid 124 and name HN )) 2.55 0.75 0.75
assign ((resid 125 and name HN )) ( (resid 126 and name HN )) 2.75 0.95 0.95
assign ((resid 10 and name HN )) ( (resid 10 and name HB1 )) 2.82 1.02 1.02
assign ((resid 10 and name HN )) ( (resid 10 and name HB2 )) 2.66 0.86 0.86
assign ((resid 11 and name HN )) ( (resid 11 and name HB2 )) 2.58 0.79 0.79
assign ((resid 11 and name HN )) ( (resid 11 and name HB1 )) 2.66 0.86 0.86
assign ((resid 13 and name HN )) ( (resid 13 and name HB2 )) 2.82 1.02 1.02
assign ((resid 13 and name HN )) ( (resid 13 and name HB1 )) 2.82 1.02 1.02
assign ((resid 15 and name HN )) ( (resid 15 and name HB2 )) 2.80 1.00 1.00
assign ((resid 17 and name HN )) ( (resid 17 and name HB2 )) 2.58 0.79 0.79
assign ((resid 17 and name HN )) ( (resid 17 and name HB1 )) 2.73 0.93 0.93
assign ((resid 18 and name HN )) ( (resid 18 and name HB2 )) 2.73 0.93 0.93
assign ((resid 18 and name HN )) ( (resid 18 and name HB1 )) 2.73 0.93 0.93
assign ((resid 20 and name HN )) ( (resid 20 and name HB1 )) 2.64 0.84 0.84
assign ((resid 22 and name HN )) ( (resid 22 and name HB2 )) 2.60 0.81 0.81
assign ((resid 23 and name HN )) ( (resid 23 and name HB2 )) 2.55 0.75 0.75
assign ((resid 25 and name HN )) ( (resid 25 and name HB1 )) 2.76 0.97 0.97
assign ((resid 25 and name HN )) ( (resid 25 and name HB2 )) 2.58 0.79 0.79
assign ((resid 27 and name HN )) ( (resid 27 and name HB2 )) 2.80 1.00 1.00
assign ((resid 31 and name HN )) ( (resid 31 and name HB2 )) 2.64 0.84 0.84
assign ((resid 31 and name HN )) ( (resid 31 and name HB1 )) 2.64 0.84 0.84
assign ((resid 32 and name HN )) ( (resid 32 and name HB2 )) 2.76 0.97 0.97
assign ((resid 35 and name HN )) ( (resid 35 and name HB2 )) 2.87 1.08 1.08
assign ((resid 36 and name HN )) ( (resid 36 and name HB2 )) 2.84 1.04 1.04
assign ((resid 40 and name HN )) ( (resid 40 and name HB2 )) 2.49 0.70 0.70
assign ((resid 41 and name HN )) ( (resid 41 and name HB2 )) 2.93 1.13 1.13
assign ((resid 44 and name HN )) ( (resid 44 and name HB1 )) 2.82 1.02 1.02
assign ((resid 45 and name HN )) ( (resid 45 and name HB1 )) 2.67 0.88 0.88
assign ((resid 47 and name HN )) ( (resid 47 and name HB2 )) 2.55 0.75 0.75
assign ((resid 47 and name HN )) ( (resid 47 and name HB1 )) 2.67 0.88 0.88
assign ((resid 55 and name HN )) ( (resid 55 and name HB1 )) 2.53 0.73 0.73
assign ((resid 57 and name HN )) ( (resid 57 and name HB1 )) 2.51 0.72 0.72
assign ((resid 59 and name HN )) ( (resid 59 and name HB2 )) 2.64 0.84 0.84
assign ((resid 60 and name HN )) ( (resid 60 and name HB2 )) 2.78 0.99 0.99
assign ((resid 60 and name HN )) ( (resid 60 and name HB1 )) 2.84 1.04 1.04
assign ((resid 65 and name HN )) ( (resid 65 and name HB2 )) 2.67 0.88 0.88
assign ((resid 65 and name HN )) ( (resid 65 and name HB1 )) 2.87 1.08 1.08
assign ((resid 66 and name HN )) ( (resid 66 and name HB1 )) 2.84 1.04 1.04
assign ((resid 67 and name HN )) ( (resid 67 and name HB2 )) 2.48 0.68 0.68
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assign ((resid 101 and name HB* )) ( (resid 102 and name HN )) 2.66 0.87 0.87
assign ((resid 101 and name HG* )) ( (resid 105 and name HG* )) 3.95 2.16 2.16
assign ((resid 101 and name HG* )) ( (resid 105 and name HE* )) 4.15 2.35 2.35
assign ((resid 102 and name HN )) ( (resid 102 and name HG* )) 2.90 1.10 1.10
assign ((resid 102 and name HN )) ( (resid 102 and name HD* )) 3.55 1.75 1.75
assign ((resid 102 and name HA )) ( (resid 102 and name HG* )) 2.68 0.89 0.89
assign ((resid 102 and name HA )) ( (resid 102 and name HD* )) 3.49 1.70 1.70
assign ((resid 102 and name HG* )) ( (resid 103 and name HN )) 4.34 2.54 2.54
assign ((resid 103 and name HB* )) ( (resid 104 and name HN )) 2.80 1.01 1.01
assign ((resid 103 and name HB* )) ( (resid 104 and name HG2* )) 3.98 2.19 2.19
assign ((resid 104 and name HA )) ( (resid 107 and name HB* )) 3.20 1.41 1.41
assign ((resid 105 and name HN )) ( (resid 105 and name HG* )) 2.86 1.06 1.06
assign ((resid 105 and name HA )) ( (resid 105 and name HG* )) 2.88 1.08 1.08
assign ((resid 105 and name HA )) ( (resid 105 and name HE* )) 3.65 1.86 1.86
assign ((resid 105 and name HG* )) ( (resid 105 and name HE* )) 2.67 0.88 0.88
assign ((resid 106 and name HN )) ( (resid 106 and name HG* )) 3.05 1.26 1.26
assign ((resid 107 and name HN )) ( (resid 107 and name HB* )) 2.68 0.88 0.88
assign ((resid 107 and name HB* )) ( (resid 108 and name HN )) 3.02 1.23 1.23
assign ((resid 108 and name HN )) ( (resid 108 and name HB* )) 2.80 1.01 1.01
assign ((resid 108 and name HA )) ( (resid 108 and name HD* )) 4.34 2.54 2.54
assign ((resid 108 and name HG* )) ( (resid 112 and name HD* )) 4.78 2.98 2.98
assign ((resid 108 and name HD* )) ( (resid 109 and name HN )) 3.62 1.82 1.82
assign ((resid 109 and name HN )) ( (resid 109 and name HG* )) 3.06 1.27 1.27
assign ((resid 109 and name HA )) ( (resid 112 and name HB* )) 2.52 0.73 0.73
assign ((resid 109 and name HG* )) ( (resid 110 and name HN )) 4.28 2.49 2.49
assign ((resid 112 and name HG* )) ( (resid 113 and name HN )) 4.19 2.40 2.40
assign ((resid 112 and name HG* )) ( (resid 116 and name HD1* )) 3.84 2.04 2.04
assign ((resid 112 and name HD* )) ( (resid 116 and name HD1* )) 4.42 2.62 2.62
assign ((resid 113 and name HN )) ( (resid 113 and name HG* )) 2.66 0.87 0.87
assign ((resid 113 and name HN )) ( (resid 113 and name HD* )) 3.71 1.91 1.91
assign ((resid 113 and name HA )) ( (resid 113 and name HG* )) 2.69 0.90 0.90
assign ((resid 116 and name HN )) ( (resid 116 and name HG1* )) 2.61 0.82 0.82
assign ((resid 116 and name HA )) ( (resid 116 and name HG1* )) 2.69 0.90 0.90
assign ((resid 116 and name HG2* )) ( (resid 120 and name HD2* )) 3.10 1.30 1.30
assign ((resid 116 and name HG1* )) ( (resid 117 and name HN )) 3.72 1.93 1.93
assign ((resid 117 and name HA )) ( (resid 120 and name HB* )) 2.76 0.97 0.97
assign ((resid 118 and name HA )) ( (resid 121 and name HB* )) 2.54 0.74 0.74
assign ((resid 120 and name HN )) ( (resid 120 and name HB* )) 2.39 0.59 0.59
assign ((resid 120 and name HB* )) ( (resid 121 and name HN )) 2.82 1.03 1.03
assign ((resid 121 and name HB* )) ( (resid 122 and name HN )) 3.02 1.22 1.22
assign ((resid 121 and name HB* )) ( (resid 122 and name HD1* )) 3.98 2.19 2.19
assign ((resid 123 and name HN )) ( (resid 123 and name HG* )) 2.69 0.89 0.89
assign ((resid 124 and name HN )) ( (resid 124 and name HB* )) 2.58 0.79 0.79
assign ((resid 125 and name HN )) ( (resid 125 and name HB* )) 2.61 0.82 0.82
assign ((resid 126 and name HN )) ( (resid 126 and name HB* )) 2.77 0.97 0.97
list of removed NOE constraints
409-> SER 121 HN - LEU 122 HB* 1.79 6.13 # NoRestrctn S [2.00 6.01] -- sequential
449-> LYS 48 HN - LYS 48 HD* 1.79 6.77 # NoRestrctn I [2.29 6.01] -- intra
453-> LYS 55 HN - LYS 55 HD* 1.80 6.88 # NoRestrctn I [2.29 6.01] -- intra
454-> LYS 57 HN - LYS 57 HD* 1.80 6.88 # NoRestrctn I [2.29 6.01] -- intra
462-> LYS 70 HN - LYS 70 HD* 1.80 6.88 # NoRestrctn I [2.29 6.01] -- intra
471-> GLU 96 HN - GLU 96 HG* 1.79 6.23 # NoRestrctn I [2.29 6.01] -- intra
478-> LYS 106 HN - LYS 106 HD* 1.80 6.74 # NoRestrctn I [2.29 6.01] -- intra
561-> SER 6 HN - ALA 7 HB* 1.79 6.95 # NoRestrctn S [2.00 6.01] -- sequential
572-> GLU 36 HN - ALA 37 HB* 1.80 7.02 # NoRestrctn S [2.00 6.01] -- sequential
878-> LYS 20 HN - LYS 20 HD* 1.80 6.20 # NoRestrctn I [2.29 6.01] -- intra
919-> ARG 59 HN - ARG 59 HD* 1.79 6.77 # NoRestrctn I [2.29 6.01] -- intra
1006-> LEU 18 HN - LEU 18 HD2* 1.80 6.12 # NoRestrctn I [2.29 6.01] -- intra
1028-> LEU 47 HN - LEU 47 HD2* 1.79 6.33 # NoRestrctn I [2.29 6.01] -- intra
1037-> LEU 71 HA - LEU 71 HD1* 1.80 6.30 # NoRestrctn I [2.11 5.99] -- intra
1059-> LEU 107 HN - LEU 107 HD1* 1.80 6.26 # NoRestrctn I [2.29 6.01] -- intra
1144-> GLN 25 HN - ALA 26 HB* 1.79 6.59 # NoRestrctn S [2.00 6.01] -- sequential
1476-> ALA 26 HN - CYS 27 HB* 1.79 6.23 # NoRestrctn S [2.00 6.01] -- sequential
1527-> ASN 45 HN - ASN 45 HD2* 1.79 6.25 # NoRestrctn I [2.29 6.01] -- intra
1566-> SER 62 HA - SER 62 HB* 1.80 2.60 # FixedDistn I [0.00 0.00] -- intra
1575-> LYS 67 HN - LYS 67 HD* 1.79 6.77 # NoRestrctn I [2.29 6.01] -- intra
====== TOTAL ======: 20
table of distance constraints violations
Residual Violations greater than 0.10
1-> SER 4 HN - THR 5 HN [ 1.80 3.52] 0.41 0.32 0.00 0.95 0.00 0.71 0.00 0.10 0.29 0.11 1.02 0.05 0.81 0.01 0.70 0.00 0.01 0.63 0.00 0.20 - 15 [ 0.01 .. 1.02]
57-> ASN 46 HN - LEU 47 HN [ 1.80 3.62] 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.04 .. 0.10]
68-> LYS 55 HB2 - ASN 56 HN [ 1.80 3.88] 0.00 0.07 0.09 0.08 0.00 0.05 0.13 0.00 0.08 0.08 0.08 0.07 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 - 10 [ 0.05 .. 0.13]
74-> TRP 60 HB2 - LYS 61 HN [ 1.80 4.20] 0.00 0.03 0.02 0.03 0.00 0.00 0.00 0.02 0.28 0.00 0.00 0.22 0.00 0.00 0.03 0.01 0.00 0.02 0.00 0.00 - 10 [ 0.00 .. 0.28]
76-> LYS 61 HA - SER 62 HN [ 1.79 3.41] 0.15 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.06 0.00 0.00 0.11 0.12 0.00 0.00 0.00 0.00 0.00 0.12 0.00 - 6 [ 0.06 .. 0.15]
112-> PHE 94 HN - HIS 95 HN [ 1.80 3.48] 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
145-> GLU 123 HN - HIS 124 HN [ 1.79 3.37] 0.16 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.19 0.00 0.00 0.00 0.05 0.11 - 6 [ 0.05 .. 0.19]
146-> GLU 123 HA - HIS 124 HN [ 1.80 3.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.12]
159-> LYS 20 HN - LYS 20 HB3 [ 1.80 3.48] 0.00 0.00 0.11 0.00 0.00 0.09 0.12 0.09 0.10 0.00 0.00 0.08 0.13 0.00 0.00 0.10 0.00 0.10 0.09 0.00 - 10 [ 0.08 .. 0.13]
176-> LYS 55 HN - LYS 55 HB3 [ 1.80 3.26] 0.31 0.00 0.00 0.00 0.28 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.32 0.28 0.22 0.00 0.29 0.32 0.31 0.30 - 10 [ 0.22 .. 0.32]
177-> LYS 57 HN - LYS 57 HB3 [ 1.79 3.23] 0.36 0.36 0.36 0.37 0.36 0.37 0.35 0.37 0.35 0.35 0.36 0.36 0.34 0.37 0.41 0.37 0.38 0.37 0.33 0.36 - 20 [ 0.33 .. 0.41]
178-> ARG 59 HN - ARG 59 HB2 [ 1.80 3.48] 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.22 0.00 0.00 0.00 0.54 0.00 0.00 0.02 0.00 0.02 0.00 0.01 - 7 [ 0.01 .. 0.54]
206-> LYS 102 HN - LYS 102 HB3 [ 1.80 3.12] 0.43 0.00 0.44 0.42 0.43 0.44 0.45 0.43 0.00 0.45 0.00 0.44 0.42 0.42 0.44 0.43 0.44 0.44 0.43 0.45 - 17 [ 0.42 .. 0.45]
215-> LYS 113 HN - LYS 113 HB3 [ 1.80 3.48] 0.10 0.08 0.06 0.09 0.09 0.09 0.09 0.07 0.09 0.10 0.09 0.08 0.02 0.11 0.08 0.09 0.09 0.08 0.09 0.08 - 20 [ 0.02 .. 0.11]
217-> SER 121 HN - SER 121 HB2 [ 1.80 3.44] 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 0.13 0.00 0.13 0.00 0.00 0.00 - 3 [ 0.12 .. 0.13]
218-> HIS 124 HN - HIS 124 HB3 [ 1.80 3.66] 0.04 0.06 0.00 0.17 0.00 0.00 0.01 0.00 0.00 0.38 0.06 0.00 0.00 0.14 0.11 0.09 0.00 0.41 0.00 0.00 - 10 [ 0.01 .. 0.41]
220-> HIS 125 HN - HIS 125 HB3 [ 1.80 3.66] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.42 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.06 0.39 0.15 0.07 - 7 [ 0.05 .. 0.42]
222-> HIS 126 HN - HIS 126 HB3 [ 1.80 3.98] 0.18 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.09 .. 0.18]
249-> ARG 59 HN - TRP 60 HN [ 1.79 4.27] 0.08 0.10 0.10 0.11 0.10 0.05 0.01 0.00 0.15 0.10 0.10 0.13 0.04 0.17 0.12 0.01 0.09 0.00 0.12 0.00 - 17 [ 0.01 .. 0.17]
264-> GLY 93 HN - PHE 94 HN [ 1.79 3.91] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.28 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.28]
265-> HIS 95 HN - GLU 96 HN [ 1.80 3.80] 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 0.01 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.13]
305-> GLU 28 HA - TYR 31 HN [ 1.80 3.62] 0.00 0.00 0.06 0.00 0.01 0.00 0.00 0.15 0.06 0.09 0.07 0.00 0.08 0.09 0.00 0.08 0.00 0.06 0.11 0.00 - 11 [ 0.01 .. 0.15]
373-> ILE 3 HA - THR 5 HN [ 1.79 5.53] 0.06 0.18 0.00 0.30 0.00 0.00 0.00 0.00 0.12 0.03 0.88 0.09 0.83 0.00 0.73 0.00 0.03 0.62 0.00 0.00 - 11 [ 0.03 .. 0.88]
379-> THR 5 HN - GLU 8 HN [ 1.80 4.74] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.40 - 2 [ 0.40 .. 0.40]
380-> THR 5 HN - VAL 9 HN [ 1.79 4.81] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.12 - 3 [ 0.08 .. 0.12]
389-> ILE 43 HA - ASN 46 HN [ 1.80 4.06] 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.35 .. 0.41]
396-> LYS 61 HN - ASN 64 HN [ 1.80 5.10] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
402-> SER 98 HN - LEU 99 HN [ 1.80 3.30] 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.13 0.21 0.00 0.00 0.00 0.00 0.00 0.09 0.08 0.00 0.00 0.00 0.00 - 5 [ 0.08 .. 0.22]
438-> GLU 35 HN - GLU 35 HG2 [ 1.79 4.31] 0.00 0.00 0.00 0.14 0.00 0.13 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.11 0.14 0.03 - 7 [ 0.03 .. 0.14]
439-> GLU 35 HN - GLU 35 HG3 [ 1.79 4.31] 0.00 0.00 0.00 0.11 0.00 0.11 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.17 0.12 0.16 - 7 [ 0.11 .. 0.17]
440-> GLU 36 HN - GLU 36 HG2 [ 1.79 4.31] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
456-> TRP 60 HN - TRP 60 HD1 [ 1.79 4.27] 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
473-> LYS 102 HN - LYS 102 HG3 [ 1.79 4.27] 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.06 .. 0.14]
485-> LEU 114 HN - LEU 114 HG [ 1.80 3.98] 0.43 0.00 0.48 0.00 0.00 0.00 0.00 0.40 0.00 0.45 0.00 0.00 0.46 0.00 0.00 0.00 0.50 0.35 0.38 0.47 - 9 [ 0.35 .. 0.50]
564-> GLU 8 HN - VAL 119 HG1* [ 1.80 5.80] 0.27 0.13 0.11 0.08 0.12 0.03 0.13 0.06 0.10 0.14 0.57 0.01 0.08 0.16 0.10 0.08 0.17 0.05 0.06 0.08 - 20 [ 0.01 .. 0.57]
582-> SER 69 HN - LEU 72 HD2* [ 1.80 6.62] 0.07 0.00 0.00 0.18 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.00 .. 0.28]
594-> LEU 82 HD2* - LYS 113 HN [ 1.80 5.76] 0.00 0.00 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]
601-> SER 121 HN - LEU 122 HD1* [ 1.80 5.44] 0.00 0.00 0.00 0.00 0.05 0.70 0.00 0.00 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 [ 0.05 .. 0.70]
609-> GLU 12 HN - GLU 12 HB3 [ 1.80 3.16] 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 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 [ 0.42 .. 0.42]
611-> GLU 16 HA - GLU 16 HB2 [ 1.79 2.87] 0.12 0.11 0.11 0.11 0.11 0.12 0.12 0.11 0.11 0.11 0.11 0.11 0.11 0.10 0.10 0.12 0.12 0.11 0.12 0.11 - 20 [ 0.10 .. 0.12]
614-> GLU 16 HN - GLU 16 HB3 [ 1.80 3.30] 0.23 0.22 0.23 0.23 0.22 0.23 0.23 0.23 0.24 0.23 0.21 0.22 0.19 0.23 0.21 0.23 0.24 0.23 0.23 0.21 - 20 [ 0.19 .. 0.24]
623-> LEU 40 HN - LEU 40 HB3 [ 1.80 3.44] 0.11 0.11 0.12 0.11 0.10 0.11 0.11 0.12 0.11 0.12 0.10 0.11 0.12 0.12 0.10 0.12 0.10 0.12 0.11 0.11 - 20 [ 0.10 .. 0.12]
635-> LYS 48 HN - LYS 48 HB3 [ 1.80 3.26] 0.28 0.33 0.32 0.00 0.00 0.30 0.00 0.00 0.31 0.32 0.33 0.00 0.31 0.00 0.31 0.00 0.29 0.00 0.32 0.00 - 11 [ 0.28 .. 0.33]
639-> GLU 49 HN - GLU 49 HB3 [ 1.80 3.48] 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.11 0.08 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.08 .. 0.11]
642-> THR 51 HA - THR 51 HB [ 1.80 2.90] 0.12 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.15 0.00 0.12 0.00 - 5 [ 0.12 .. 0.15]
644-> ASN 53 HN - ASN 53 HB3 [ 1.79 3.37] 0.17 0.16 0.16 0.16 0.16 0.16 0.15 0.15 0.14 0.16 0.16 0.15 0.15 0.16 0.17 0.15 0.17 0.16 0.16 0.16 - 20 [ 0.14 .. 0.17]
648-> ASN 56 HN - ASN 56 HB3 [ 1.80 3.26] 0.29 0.29 0.27 0.28 0.27 0.29 0.29 0.34 0.00 0.28 0.29 0.29 0.29 0.00 0.00 0.31 0.30 0.30 0.00 0.32 - 16 [ 0.27 .. 0.34]
651-> ARG 59 HN - ARG 59 HB3 [ 1.80 3.48] 0.02 0.39 0.39 0.39 0.33 0.00 0.00 0.00 0.00 0.39 0.35 0.40 0.02 0.27 0.25 0.00 0.39 0.00 0.39 0.00 - 13 [ 0.02 .. 0.40]
661-> ASN 64 HN - ASN 64 HB3 [ 1.79 3.37] 0.14 0.16 0.16 0.17 0.16 0.16 0.15 0.16 0.16 0.13 0.17 0.15 0.14 0.16 0.14 0.16 0.15 0.14 0.15 0.12 - 20 [ 0.12 .. 0.17]
663-> LYS 67 HN - LYS 67 HB3 [ 1.80 3.26] 0.11 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.11 .. 0.31]
664-> LYS 70 HN - LYS 70 HB3 [ 1.79 3.41] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.16 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.16 .. 0.17]
668-> ARG 73 HN - ARG 73 HB3 [ 1.80 3.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.34 .. 0.34]
671-> ASN 75 HN - ASN 75 HB3 [ 1.80 3.34] 0.20 0.00 0.00 0.21 0.25 0.00 0.00 0.22 0.20 0.00 0.20 0.22 0.25 0.22 0.00 0.23 0.25 0.19 0.00 0.00 - 12 [ 0.19 .. 0.25]
672-> THR 77 HN - THR 77 HB [ 1.80 3.48] 0.14 0.13 0.13 0.00 0.14 0.14 0.16 0.15 0.14 0.00 0.14 0.15 0.14 0.14 0.15 0.15 0.15 0.15 0.15 0.14 - 18 [ 0.13 .. 0.16]
673-> THR 77 HA - THR 77 HB [ 1.80 2.94] 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.10]
677-> GLU 78 HN - GLU 78 HB3 [ 1.80 3.44] 0.13 0.14 0.15 0.14 0.14 0.13 0.13 0.14 0.14 0.12 0.14 0.14 0.13 0.13 0.13 0.13 0.15 0.13 0.13 0.14 - 20 [ 0.12 .. 0.15]
684-> PHE 94 HN - PHE 94 HB3 [ 1.80 3.70] 0.00 0.00 0.00 0.34 0.00 0.07 0.00 0.00 0.37 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.07 .. 0.41]
689-> GLU 101 HN - GLU 101 HB3 [ 1.80 3.48] 0.10 0.00 0.00 0.00 0.10 0.09 0.11 0.09 0.09 0.00 0.09 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 - 9 [ 0.09 .. 0.11]
693-> GLU 103 HN - GLU 103 HB3 [ 1.79 3.41] 0.16 0.17 0.17 0.16 0.16 0.16 0.16 0.17 0.18 0.16 0.16 0.16 0.16 0.16 0.18 0.17 0.17 0.15 0.18 0.15 - 20 [ 0.15 .. 0.18]
699-> LEU 114 HN - LEU 114 HB3 [ 1.80 3.26] 0.00 0.26 0.00 0.27 0.28 0.26 0.27 0.00 0.28 0.00 0.27 0.27 0.00 0.28 0.28 0.27 0.00 0.00 0.00 0.00 - 11 [ 0.26 .. 0.28]
703-> PHE 117 HN - PHE 117 HB3 [ 1.79 3.23] 0.38 0.36 0.37 0.37 0.34 0.35 0.36 0.36 0.37 0.37 0.36 0.36 0.37 0.00 0.36 0.36 0.36 0.00 0.37 0.37 - 18 [ 0.34 .. 0.38]
705-> ASN 120 HN - ASN 120 HB3 [ 1.80 3.16] 0.36 0.36 0.37 0.37 0.36 0.00 0.35 0.00 0.37 0.36 0.35 0.00 0.37 0.37 0.36 0.00 0.35 0.37 0.34 0.36 - 16 [ 0.34 .. 0.37]
706-> SER 121 HN - SER 121 HB3 [ 1.80 3.44] 0.10 0.12 0.14 0.12 0.14 0.00 0.00 0.14 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.10 .. 0.14]
710-> ILE 3 HA - SER 4 HN [ 1.80 2.44] 0.14 0.00 0.00 0.00 0.03 0.00 0.03 0.03 0.00 0.07 0.06 0.06 0.00 0.04 0.00 0.17 0.15 0.18 0.00 0.00 - 11 [ 0.03 .. 0.18]
711-> ILE 3 HB - SER 4 HN [ 1.79 3.23] 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.12 - 3 [ 0.49 .. 1.12]
712-> SER 4 HA - THR 5 HN [ 1.80 2.72] 0.00 0.00 0.69 0.53 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 - 3 [ 0.13 .. 0.69]
714-> THR 5 HB - SER 6 HN [ 1.80 3.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 - 1 [ 0.27 .. 0.27]
722-> GLU 35 HB2 - GLU 36 HN [ 1.79 3.91] 0.05 0.00 0.00 0.01 0.01 0.05 0.04 0.00 0.00 0.01 0.00 0.00 0.00 0.14 0.05 0.00 0.09 0.05 0.00 0.05 - 12 [ 0.00 .. 0.14]
732-> VAL 54 HB - LYS 55 HN [ 1.80 3.80] 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 0.00 - 1 [ 0.12 .. 0.12]
736-> LYS 57 HA - GLY 58 HN [ 1.79 3.19] 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.24 0.00 0.22 0.00 0.00 0.00 0.25 0.00 - 5 [ 0.21 .. 0.25]
737-> GLY 58 HA2 - ARG 59 HN [ 1.79 3.41] 0.00 0.00 0.10 0.06 0.06 0.00 0.00 0.00 0.00 0.00 0.06 0.13 0.00 0.00 0.08 0.00 0.00 0.00 0.05 0.00 - 8 [ 0.00 .. 0.13]
742-> TRP 60 HA - LYS 61 HN [ 1.79 3.01] 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 0.35 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
745-> LYS 67 HB3 - ALA 68 HN [ 1.79 3.05] 0.03 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.45]
746-> LYS 67 HB2 - ALA 68 HN [ 1.80 3.26] 0.00 0.58 0.00 0.56 0.61 0.64 0.58 0.63 0.57 0.57 0.60 0.50 0.54 0.58 0.58 0.59 0.58 0.59 0.58 0.66 - 18 [ 0.50 .. 0.66]
749-> LYS 70 HB2 - LEU 71 HN [ 1.79 3.37] 0.28 0.29 0.30 0.29 0.35 0.32 0.38 0.25 0.25 0.28 0.31 0.31 0.00 0.28 0.00 0.29 0.28 0.29 0.28 0.19 - 18 [ 0.19 .. 0.38]
758-> LYS 84 HB2 - SER 85 HN [ 1.79 3.73] 0.10 0.12 0.15 0.13 0.13 0.13 0.15 0.13 0.13 0.10 0.15 0.12 0.10 0.08 0.13 0.16 0.13 0.12 0.11 0.13 - 20 [ 0.08 .. 0.16]
761-> PHE 94 HB2 - HIS 95 HN [ 1.80 4.34] 0.00 0.00 0.19 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.14 .. 0.19]
762-> PHE 94 HB3 - HIS 95 HN [ 1.80 4.34] 0.00 0.00 0.09 0.11 0.00 0.00 0.00 0.09 0.11 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.01 .. 0.11]
765-> ASN 100 HB2 - GLU 101 HN [ 1.80 3.62] 0.07 0.02 0.10 0.03 0.00 0.00 0.10 0.00 0.00 0.05 0.00 0.04 0.06 0.27 0.01 0.00 0.04 0.07 0.06 0.00 - 14 [ 0.00 .. 0.27]
767-> GLU 101 HB2 - LYS 102 HN [ 1.79 3.73] 0.00 0.06 0.11 0.10 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.06 0.12 0.11 0.12 0.13 0.10 0.00 0.07 - 11 [ 0.06 .. 0.13]
769-> LYS 102 HB2 - GLU 103 HN [ 1.80 3.62] 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.12 .. 0.17]
774-> PHE 117 HB2 - ALA 118 HN [ 1.80 3.70] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.13 0.00 0.00 - 2 [ 0.09 .. 0.13]
775-> PHE 117 HB3 - ALA 118 HN [ 1.80 3.44] 0.11 0.05 0.08 0.07 0.03 0.04 0.06 0.00 0.07 0.04 0.03 0.04 0.07 0.00 0.09 0.02 0.05 0.00 0.06 0.07 - 17 [ 0.02 .. 0.11]
776-> LEU 122 HA - GLU 123 HN [ 1.79 3.41] 0.04 0.13 0.09 0.00 0.00 0.15 0.00 0.00 0.00 0.09 0.00 0.04 0.04 0.07 0.00 0.00 0.01 0.06 0.10 0.07 - 14 [ 0.00 .. 0.15]
784-> VAL 9 HA - GLU 12 HB3 [ 1.80 3.80] 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
790-> GLU 13 HA - GLU 16 HB3 [ 1.79 3.55] 0.19 0.20 0.23 0.14 0.18 0.20 0.20 0.23 0.31 0.22 0.14 0.21 0.25 0.20 0.13 0.30 0.26 0.16 0.25 0.12 - 20 [ 0.12 .. 0.31]
795-> PHE 17 HA - SER 19 HN [ 1.80 4.02] 0.04 0.13 0.10 0.10 0.13 0.03 0.09 0.10 0.10 0.10 0.11 0.08 0.09 0.09 0.10 0.10 0.11 0.06 0.09 0.09 - 20 [ 0.03 .. 0.13]
802-> ALA 37 HA - LEU 40 HB3 [ 1.79 3.91] 0.09 0.11 0.13 0.10 0.12 0.28 0.15 0.18 0.17 0.07 0.14 0.14 0.10 0.13 0.12 0.15 0.11 0.08 0.11 0.12 - 20 [ 0.07 .. 0.28]
815-> ALA 86 HA - LEU 89 HB2 [ 1.80 4.70] 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
826-> LEU 107 HA - ASP 110 HB3 [ 1.79 3.95] 0.13 0.20 0.28 0.00 0.13 0.15 0.03 0.11 0.14 0.00 0.27 0.08 0.24 0.00 0.22 0.12 0.11 0.01 0.00 0.11 - 17 [ 0.00 .. 0.28]
834-> ASP 110 HA - LYS 113 HB3 [ 1.80 4.56] 0.09 0.08 0.07 0.04 0.09 0.09 0.04 0.09 0.12 0.03 0.10 0.09 0.07 0.01 0.12 0.06 0.06 0.02 0.07 0.09 - 20 [ 0.01 .. 0.12]
837-> VAL 111 HA - LEU 114 HB3 [ 1.80 4.02] 0.00 0.02 0.00 0.04 0.10 0.11 0.04 0.00 0.02 0.00 0.00 0.06 0.00 0.00 0.10 0.03 0.00 0.00 0.00 0.00 - 9 [ 0.02 .. 0.11]
841-> LEU 114 HA - PHE 117 HB3 [ 1.79 3.91] 0.33 0.10 0.12 0.10 0.11 0.08 0.10 0.14 0.10 0.24 0.07 0.05 0.12 0.00 0.11 0.07 0.14 0.00 0.11 0.20 - 18 [ 0.05 .. 0.33]
842-> VAL 115 HA - PHE 117 HN [ 1.79 3.95] 0.14 0.14 0.15 0.16 0.19 0.21 0.19 0.10 0.18 0.12 0.16 0.16 0.12 0.18 0.18 0.16 0.12 0.21 0.13 0.14 - 20 [ 0.10 .. 0.21]
845-> PHE 117 HA - ASN 120 HB3 [ 1.80 4.16] 0.13 0.12 0.11 0.12 0.13 0.00 0.12 0.00 0.32 0.22 0.11 0.00 0.12 0.08 0.09 0.00 0.10 0.12 0.32 0.08 - 16 [ 0.08 .. 0.32]
846-> ALA 118 HA - SER 121 HB2 [ 1.80 3.80] 0.00 0.00 0.00 0.00 0.00 0.01 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.19 0.00 0.00 0.00 - 4 [ 0.01 .. 0.20]
847-> ALA 118 HA - SER 121 HB3 [ 1.80 3.80] 0.07 0.06 0.06 0.09 0.12 0.00 0.00 0.11 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.06 .. 0.12]
849-> THR 5 HB - ALA 7 HN [ 1.79 3.37] 0.00 0.11 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.11 0.03 0.00 0.01 - 6 [ 0.01 .. 0.11]
856-> ILE 50 HA - ASN 53 HB3 [ 1.79 4.49] 0.03 0.05 0.01 0.02 0.00 0.00 0.05 0.06 0.08 0.10 0.07 0.08 0.02 0.09 0.04 0.04 0.04 0.07 0.02 0.10 - 18 [ 0.01 .. 0.10]
861-> ARG 73 HB2 - THR 77 HA [ 1.80 3.98] 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.06 0.00 0.02 0.00 0.14 0.02 0.00 0.00 0.00 0.00 0.00 0.01 0.00 - 6 [ 0.01 .. 0.14]
863-> ASN 120 HA - GLU 123 HB* [ 1.80 4.86] 0.00 0.00 0.00 0.07 0.00 0.11 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 - 3 [ 0.02 .. 0.11]
864-> VAL 54 HA - ASN 56 HN [ 1.80 3.44] 0.12 0.21 0.41 0.28 0.27 0.05 0.31 0.23 0.07 0.47 0.54 0.25 0.21 0.31 0.31 0.15 0.14 0.27 0.20 0.18 - 20 [ 0.05 .. 0.54]
868-> ILE 3 HA - ILE 3 HG12 [ 1.80 3.98] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 - 1 [ 0.23 .. 0.23]
883-> GLN 25 HN - GLN 25 HG3 [ 1.80 3.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.07 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.07 .. 0.22]
884-> GLN 25 HA - GLN 25 HG3 [ 1.79 3.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.29 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.27 .. 0.29]
892-> LEU 40 HB3 - LEU 40 HG [ 1.80 2.90] 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 - 20 [ 0.14 .. 0.14]
906-> GLU 49 HN - GLU 49 HG2 [ 1.80 4.56] 0.00 0.11 0.00 0.02 0.00 0.00 0.02 0.00 0.00 0.10 0.12 0.00 0.00 0.00 0.01 0.00 0.10 0.02 0.01 0.02 - 12 [ 0.00 .. 0.12]
948-> LEU 97 HN - LEU 97 HG [ 1.80 4.20] 0.00 0.00 0.00 0.00 0.19 0.15 0.21 0.01 0.29 0.00 0.24 0.03 0.00 0.23 0.00 0.24 0.00 0.00 0.09 0.17 - 11 [ 0.01 .. 0.29]
949-> LEU 97 HB2 - LEU 97 HG [ 1.80 2.94] 0.00 0.10 0.10 0.09 0.10 0.10 0.10 0.00 0.09 0.00 0.10 0.10 0.10 0.10 0.00 0.10 0.00 0.10 0.10 0.09 - 15 [ 0.09 .. 0.10]
952-> LYS 102 HN - LYS 102 HG2 [ 1.79 4.27] 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.13 .. 0.19]
963-> LEU 114 HB3 - LEU 114 HG [ 1.80 2.58] 0.00 0.46 0.00 0.46 0.46 0.46 0.46 0.00 0.46 0.00 0.46 0.46 0.00 0.46 0.46 0.46 0.00 0.00 0.00 0.00 - 11 [ 0.46 .. 0.46]
969-> GLU 123 HN - GLU 123 HG2 [ 1.79 3.91] 0.00 0.00 0.00 0.00 0.06 0.00 0.06 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.12 0.00 - 6 [ 0.00 .. 0.12]
973-> ILE 3 HG12 - SER 4 HN [ 1.80 4.34] 0.00 0.00 0.39 0.23 0.09 0.21 0.09 0.10 0.22 0.04 0.08 0.08 0.41 0.10 0.22 0.00 0.04 0.01 0.00 0.09 - 16 [ 0.01 .. 0.41]
974-> ILE 3 HG13 - SER 4 HN [ 1.80 4.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.32 0.55 - 3 [ 0.02 .. 0.55]
995-> LEU 89 HG - LEU 107 HG [ 1.80 2.94] 0.00 0.25 1.24 0.04 0.11 0.03 0.09 0.26 0.03 0.10 0.16 0.00 0.09 0.00 0.09 0.51 0.00 0.10 0.10 0.07 - 17 [ 0.00 .. 1.24]
1009-> LEU 18 HA - LEU 18 HD1* [ 1.79 3.71] 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.13]
1053-> LEU 97 HA - LEU 97 HD2* [ 1.80 3.78] 0.00 0.04 0.02 0.00 0.10 0.09 0.08 0.00 0.09 0.00 0.09 0.01 0.01 0.08 0.00 0.09 0.00 0.04 0.03 0.10 - 14 [ 0.01 .. 0.10]
1057-> LEU 107 HA - LEU 107 HD1* [ 1.80 5.76] 0.04 0.00 0.04 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.02 0.00 - 6 [ 0.02 .. 0.11]
1271-> ILE 116 HG2* - ASN 120 HD22 [ 1.79 4.57] 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.05 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 - 4 [ 0.05 .. 0.15]
1309-> LEU 89 HD2* - VAL 111 HG2* [ 1.79 6.85] 0.00 0.00 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]
1320-> LEU 18 HD1* - LEU 23 HA [ 1.79 4.57] 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.20]
1323-> ILE 50 HN - THR 51 HG2* [ 1.80 5.36] 0.17 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.27 0.00 0.19 0.00 - 5 [ 0.17 .. 0.27]
1327-> TRP 83 HA - TRP 83 HZ3 [ 1.79 4.49] 0.07 0.06 0.05 0.09 0.00 0.06 0.00 0.06 0.00 0.00 0.09 0.01 0.00 0.09 0.08 0.10 0.00 0.00 0.03 0.00 - 15 [ 0.00 .. 0.10]
1367-> GLU 35 HA - TRP 83 HE3 [ 1.79 4.09] 0.00 0.01 0.07 0.06 0.02 0.11 0.00 0.15 0.06 0.00 0.29 0.07 0.00 0.06 0.02 0.04 0.06 0.00 0.01 0.04 - 15 [ 0.01 .. 0.29]
1498-> GLU 35 HB* - TRP 83 HZ2 [ 1.79 4.43] 0.00 0.00 0.00 0.06 0.00 0.07 0.07 1.06 0.28 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.12 0.05 0.06 0.08 - 10 [ 0.05 .. 1.06]
1630-> PHE 94 HN - HIS 95 HB* [ 1.80 5.26] 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.04 .. 0.14]
-------------------------------------------
Number of Violations greater than 0.10 39 39 42 38 39 38 37 35 46 31 45 31 39 39 39 30 38 35 41 35
-------------------------------------------
---- 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: 25 24 23 19 24 20 22 19 26 14 22 16 18 21 22 17 23 17 24 22 20.90
0.2 - 0.5 ang: 13 13 17 16 14 15 14 14 19 16 17 14 17 17 14 11 14 15 16 10 14.80
> 0.5 ang: 1 2 2 3 1 3 1 2 1 1 6 1 4 1 3 2 1 3 1 3 2.10
Total : 96 80 98 90 91 87 87 90 98 90 91 90 104 90 92 74 90 92 95 80 90.25
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 : 0.528 0.679 1.238 0.948 0.613 0.708 0.575 1.065 0.568 0.573 1.019 0.503 0.830 0.581 0.734 0.588 0.581 0.630 0.579 1.122 1.238
Max Intra Viol : 0.528 0.464 0.478 0.464 0.464 0.463 0.464 0.433 0.463 0.450 0.463 0.464 0.544 0.464 0.464 0.463 0.498 0.436 0.433 0.471 0.544
Max Seque Viol : 0.407 0.679 0.689 0.948 0.613 0.708 0.575 0.629 0.568 0.573 1.019 0.503 0.813 0.581 0.697 0.588 0.581 0.630 0.579 1.122 1.122
Max Medium Viol : 0.335 0.207 0.410 0.296 0.271 0.350 0.311 0.279 0.324 0.472 0.884 0.251 0.830 0.310 0.734 0.301 0.262 0.622 0.319 0.401 0.884
Max Long Viol : 0.274 0.247 1.238 0.077 0.122 0.113 0.133 1.065 0.278 0.139 0.926 0.069 0.090 0.164 0.103 0.515 0.167 0.095 0.100 0.084 1.238
Average Violation : 0.007 0.006 0.008 0.007 0.006 0.007 0.006 0.006 0.007 0.006 0.009 0.006 0.008 0.007 0.007 0.005 0.006 0.007 0.007 0.007 0.00683
Avge Intra Viol : 0.012 0.009 0.012 0.011 0.011 0.010 0.011 0.009 0.012 0.010 0.012 0.010 0.012 0.010 0.010 0.009 0.011 0.010 0.011 0.009 0.01058
Avge Seque Viol : 0.004 0.004 0.005 0.004 0.004 0.004 0.004 0.005 0.005 0.004 0.007 0.004 0.007 0.004 0.006 0.003 0.004 0.006 0.004 0.005 0.00470
Avge Mediu Viol : 0.006 0.008 0.010 0.010 0.006 0.011 0.006 0.005 0.008 0.006 0.010 0.007 0.009 0.008 0.009 0.005 0.006 0.008 0.009 0.010 0.00770
Avge Long Viol : 0.002 0.002 0.005 0.001 0.001 0.001 0.002 0.005 0.003 0.001 0.007 0.001 0.001 0.002 0.001 0.002 0.002 0.001 0.001 0.001 0.00218
RMS Violation : 0.039 0.040 0.054 0.047 0.038 0.045 0.038 0.045 0.041 0.039 0.059 0.036 0.051 0.039 0.045 0.037 0.039 0.044 0.040 0.048 0.04353
RMS Intra : 0.055 0.048 0.056 0.054 0.052 0.048 0.051 0.048 0.054 0.054 0.054 0.050 0.058 0.050 0.051 0.047 0.054 0.052 0.050 0.048 0.05188
RMS Sequential : 0.025 0.024 0.031 0.026 0.025 0.029 0.026 0.027 0.029 0.031 0.054 0.024 0.050 0.024 0.043 0.022 0.023 0.041 0.025 0.028 0.03161
RMS Medium range : 0.034 0.054 0.055 0.070 0.042 0.069 0.040 0.038 0.046 0.037 0.069 0.038 0.060 0.045 0.054 0.038 0.040 0.053 0.051 0.077 0.05202
RMS Long range : 0.019 0.017 0.071 0.009 0.011 0.008 0.012 0.063 0.021 0.011 0.065 0.006 0.008 0.016 0.011 0.030 0.013 0.009 0.009 0.008 0.02869
Final --global-- Summary for 20 models, 1681 NOEs/model, 33620 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 229.467
Summ sq. viol : 63.697
Maximum viol : 1.238
Average viol : 0.00683
RMSD viol : 0.04353
Std. Dev. viol : 0.04299
RMS Intra : 0.05188
RMS Seque : 0.03161
RMS Medi : 0.05202
RMS Long : 0.02869
table of dihedral angle constraints violations
158-> [THR A 5] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.7 0.0 0.1 - 2 [ 0.0 .. 10.7]
180-> [ASN A 46] PHI 175.0 65.0 0.0 0.0 0.0 0.0 0.0 7.4 0.0 0.0 0.0 0.0 0.0 0.0 7.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 7.7]
191-> [VAL A 54] PSI -75.0 15.0 0.0 0.0 0.0 0.0 0.0 4.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.3]
199-> [LYS A 57] PSI -15.0 -165.0 0.0 0.0 0.0 0.0 4.1 0.0 0.0 0.0 0.0 0.0 5.8 0.0 8.3 0.0 0.0 0.0 0.0 0.0 10.9 0.0 - 4 [ 0.0 .. 10.9]
206-> [TRP A 60] PSI 5.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 22.8 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 22.8]
209-> [LYS A 61] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.3]
215-> [LEU A 71] PSI 135.0 -35.0 0.0 4.8 5.8 0.0 4.7 5.1 5.4 0.0 2.1 5.9 4.8 0.0 7.1 8.1 0.0 5.5 1.8 6.9 5.4 5.3 - 15 [ 0.0 .. 8.1]
218-> [LEU A 72] PHI -155.0 65.0 9.5 0.0 0.0 4.0 0.0 0.0 0.0 1.9 0.0 0.0 0.0 1.9 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 9.5]
238-> [GLY A 93] PHI 45.0 -45.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.6]
239-> [GLY A 93] PSI -145.0 145.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 16.7]
241-> [PHE A 94] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.9 3.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.4]
242-> [PHE A 94] PSI 75.0 45.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.3]
248-> [GLU A 96] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.0]
268-> [HIS A 124] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.2 0.0 0.0 0.0 - 1 [ 0.0 .. 4.2]
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 1 2 1 2 2 3 1 1 2 1 4 2 3 1 0 1 2 1 1 1 1.60
> 10. degrees : 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0.20
Total : 1 2 1 3 2 4 1 1 2 1 6 2 3 2 1 1 3 2 2 2 2.10
Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Maximum Violation : 9.5 4.8 5.8 4.0 4.7 7.4 5.4 1.9 2.3 5.9 16.7 3.4 8.3 22.8 0.1 5.5 4.2 10.7 10.9 5.3 22.79
Max PHI Viol : 9.5 2.6 0.0 4.0 0.0 7.4 0.0 1.9 0.0 0.0 3.0 3.4 7.7 0.0 0.1 0.0 4.2 10.7 0.0 0.1 10.73
Max PSI Viol : 0.0 4.8 5.8 2.3 4.7 5.1 5.4 0.0 2.3 5.9 16.7 0.0 8.3 22.8 0.0 5.5 1.8 6.9 10.9 5.3 22.79
Average Violation : 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.1 0.0 0.1 0.1 0.0 0.0 0.0 0.1 0.1 0.0 0.040
Avge PHI Viol : 0.255 0.133 0.000 0.186 0.000 0.226 0.000 0.114 0.000 0.000 0.206 0.192 0.229 0.000 0.022 0.000 0.178 0.271 0.000 0.025 0.145
Avge PSI Viol : 0.000 0.194 0.214 0.133 0.263 0.272 0.206 0.000 0.186 0.216 0.464 0.000 0.348 0.493 0.000 0.208 0.121 0.233 0.358 0.204 0.248
RMS Violation : 0.573 0.328 0.351 0.286 0.377 0.603 0.326 0.115 0.188 0.358 1.138 0.239 0.808 1.464 0.004 0.331 0.280 0.771 0.734 0.319 0.592
RMS PHI Viol : 0.784 0.214 0.000 0.344 0.000 0.611 0.000 0.158 0.000 0.000 0.350 0.327 0.635 0.000 0.006 0.000 0.351 0.888 0.000 0.007 0.369
RMS PSI Viol : 0.000 0.423 0.514 0.200 0.552 0.594 0.478 0.000 0.275 0.525 1.625 0.000 0.970 2.146 0.000 0.486 0.164 0.610 1.077 0.468 0.772
Final --global-- Summary for 20 models, 273 ACOs/model, 5460 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 217.18
Summ. Sq. Viol. : 1911.14
Max. Viol. : 22.792
Avg. Viol. : 0.03978
RMS Viol. : 0.59163
Std. Dev. Viol. : 0.59029
JPEG image for inter-residue distance constraints per residue plot
S(phi)|S(psi) V/S Residue number
Text output from PDBStat of phi psi order
# CHAIN .GT. SUM.GT.
# RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6
# -----------------------------------------------------------------------------------
MET A 1 0.200 0.743 0.573 0.060
SER A 2 0.842 0.169 0.322
ILE A 3 0.748 0.969 0.766 0.945
SER A 4 0.202 0.606 0.511
THR A 5 0.796 0.994 0.926
SER A 6 0.990 0.989 0.775 6 6
ALA A 7 1.000 1.000 7 7
GLU A 8 0.999 1.000 0.907 0.993 0.688 8 8
VAL A 9 1.000 0.999 1.000 9 9
TYR A 10 1.000 1.000 0.999 0.697 10 10
TYR A 11 1.000 1.000 0.996 0.998 11 11
GLU A 12 1.000 1.000 0.938 0.856 0.926 12 12
GLU A 13 1.000 1.000 1.000 0.998 0.974 13 13
ALA A 14 1.000 1.000 14 14
GLU A 15 1.000 1.000 0.999 0.749 0.962 15 15
GLU A 16 1.000 1.000 0.999 0.702 0.945 16 16
PHE A 17 1.000 1.000 0.993 0.431 17 17
LEU A 18 1.000 1.000 0.936 0.866 18 18
SER A 19 0.999 0.995 0.485 19 19
LYS A 20 0.993 0.991 0.604 0.999 1.000 1.000 20 20
GLY A 21 0.990 0.999 21 21
ASP A 22 0.995 0.995 0.998 0.985 22 22
LEU A 23 0.998 0.998 0.999 0.999 23 23
VAL A 24 1.000 1.000 1.000 24 24
GLN A 25 1.000 1.000 1.000 0.826 0.672 25 25
ALA A 26 1.000 1.000 26 26
CYS A 27 1.000 0.999 0.939 27 27
GLU A 28 1.000 1.000 0.600 0.867 0.956 28 28
LYS A 29 0.998 0.982 0.997 0.941 0.999 0.997 29 29
TYR A 30 0.997 0.981 0.206 0.553 30 30
TYR A 31 1.000 1.000 0.992 0.998 31 31
LYS A 32 1.000 1.000 1.000 0.791 0.812 0.999 32 32
ALA A 33 1.000 0.999 33 33
ALA A 34 1.000 0.999 34 34
GLU A 35 0.999 0.997 0.426 0.996 0.798 35 35
GLU A 36 1.000 1.000 0.934 0.917 0.968 36 36
ALA A 37 1.000 1.000 37 37
ILE A 38 1.000 1.000 1.000 0.844 38 38
LYS A 39 0.999 0.998 0.301 0.998 0.652 0.994 39 39
LEU A 40 1.000 1.000 0.999 1.000 40 40
LEU A 41 1.000 1.000 1.000 1.000 41 41
VAL A 42 0.999 0.999 1.000 42 42
ILE A 43 1.000 1.000 1.000 1.000 43 43
GLU A 44 0.999 1.000 0.999 0.998 0.987 44 44
ASN A 45 0.994 0.940 0.999 0.828 45 45
ASN A 46 0.869 0.982 1.000 0.985 46
LEU A 47 0.997 0.992 0.997 1.000 47 47
LYS A 48 0.994 0.993 0.594 0.999 1.000 1.000 48 48
GLU A 49 0.999 0.999 0.769 0.761 0.996 49 49
ILE A 50 0.996 0.999 0.998 0.621 50 50
THR A 51 0.997 0.995 0.656 51 51
ASN A 52 0.999 1.000 1.000 1.000 52 52
ASN A 53 0.997 0.991 0.999 0.984 53 53
VAL A 54 0.994 0.981 0.999 54 54
LYS A 55 0.991 0.991 0.622 1.000 1.000 0.999 55 55
ASN A 56 0.955 0.980 0.788 0.941 56 56
LYS A 57 0.996 0.468 0.998 0.695 0.998 0.929
GLY A 58 0.410 0.899
ARG A 59 0.953 0.984 0.353 0.601 0.716 0.683 1.000 59 59
TRP A 60 0.987 0.850 0.969 0.966 60
LYS A 61 0.829 0.443 0.475 0.631 0.999 0.998
SER A 62 0.667 0.948 0.127
GLU A 63 0.999 0.999 0.613 1.000 1.000 63 63
ASN A 64 1.000 1.000 0.999 0.986 64 64
LEU A 65 1.000 0.999 0.999 0.999 65 65
PHE A 66 1.000 0.999 0.885 0.939 66 66
LYS A 67 1.000 1.000 0.910 0.934 0.997 0.637 67 67
ALA A 68 1.000 0.999 68 68
SER A 69 1.000 0.999 0.914 69 69
LYS A 70 0.999 1.000 0.885 0.999 1.000 1.000 70 70
LEU A 71 0.990 0.572 0.998 0.999
LEU A 72 0.550 0.983 0.992 0.998
ARG A 73 0.991 0.998 0.938 0.997 0.663 0.923 1.000 73 73
SER A 74 0.999 0.998 1.000 74 74
ASN A 75 0.997 0.999 0.656 0.710 75 75
ASN A 76 0.999 0.997 0.998 0.953 76 76
THR A 77 0.999 0.997 0.852 77 77
GLU A 78 0.998 0.996 1.000 0.998 0.890 78 78
ILE A 79 0.999 1.000 0.999 0.925 79 79
PRO A 80 0.997 0.999 0.970 0.938 80 80
ILE A 81 1.000 1.000 1.000 1.000 81 81
LEU A 82 0.999 0.999 1.000 0.999 82 82
TRP A 83 0.999 0.999 0.999 0.999 83 83
LYS A 84 0.998 0.999 1.000 1.000 1.000 1.000 84 84
SER A 85 0.999 0.999 0.777 85 85
ALA A 86 1.000 1.000 86 86
TRP A 87 0.999 0.999 0.996 0.995 87 87
THR A 88 0.999 0.999 1.000 88 88
LEU A 89 0.999 0.999 0.911 0.939 89 89
HIS A 90 0.998 0.995 0.817 0.661 90 90
VAL A 91 0.999 0.999 1.000 91 91
GLU A 92 0.760 0.780 0.932 0.466 0.872
GLY A 93 0.770 0.469
PHE A 94 0.400 0.750 0.556 0.769
HIS A 95 0.434 0.617 0.422 0.078
GLU A 96 0.515 0.381 0.560 0.794 0.926
LEU A 97 0.988 0.990 0.679 0.717 97 97
SER A 98 0.610 0.736 0.092
LEU A 99 0.404 0.941 0.998 0.999
ASN A 100 0.966 0.989 0.839 0.877 100 100
GLU A 101 1.000 1.000 0.633 0.999 1.000 101 101
LYS A 102 1.000 1.000 0.833 1.000 1.000 1.000 102 102
GLU A 103 1.000 0.999 1.000 0.696 0.977 103 103
VAL A 104 1.000 1.000 1.000 104 104
LYS A 105 1.000 0.999 0.821 1.000 1.000 1.000 105 105
LYS A 106 1.000 0.999 0.874 0.999 0.877 0.999 106 106
LEU A 107 1.000 0.999 0.997 0.865 107 107
LYS A 108 0.999 0.998 0.735 0.952 0.578 0.667 108 108
GLU A 109 0.999 0.999 0.933 0.547 0.928 109 109
ASP A 110 1.000 0.999 1.000 0.999 110 110
VAL A 111 1.000 1.000 1.000 111 111
ARG A 112 1.000 1.000 0.999 0.998 0.554 0.552 1.000 112 112
LYS A 113 1.000 0.999 0.999 0.999 0.689 1.000 113 113
LEU A 114 1.000 1.000 0.643 0.557 114 114
VAL A 115 1.000 1.000 1.000 115 115
ILE A 116 1.000 1.000 1.000 1.000 116 116
PHE A 117 1.000 1.000 0.883 0.915 117 117
ALA A 118 1.000 0.999 118 118
VAL A 119 1.000 1.000 1.000 119 119
ASN A 120 1.000 0.999 0.827 0.924 120 120
SER A 121 1.000 0.999 0.390 121 121
LEU A 122 0.990 0.943 0.931 0.753 122 122
GLU A 123 0.620 0.875 0.998 0.997 0.961
HIS A 124 0.556 0.618 0.390 0.565
HIS A 125 0.562 0.682 0.376 0.359
HIS A 126 0.121 0.106 0.484 0.375
HIS A 127 0.536 0.621 0.499 0.446
HIS A 128 0.437 0.284 0.323 0.629
HIS A 129 0.931 0.609 0.578
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 `SSR10_R3Cons_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 1 is: 0.991
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 2 is: 0.391 (*)
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 3 is: 0.517
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 4 is: 0.704
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 5 is: 0.402
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 6 is: 0.650
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 7 is: 0.498
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 8 is: 0.647
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 9 is: 0.722
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 10 is: 0.431
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 11 is: 0.484
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 12 is: 0.757
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 13 is: 0.746
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 14 is: 0.765
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 15 is: 0.502
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 16 is: 0.568
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 17 is: 0.445
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 18 is: 0.467
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 19 is: 0.471
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 20 is: 0.429
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[6..45],[47..56],[63..70],[73..91],[100..122], is: 0.579
> Range of RMSD values to reference struct. is 0.391 to 0.991
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 1 is: 1.465
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 2 is: 0.670 (*)
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 3 is: 0.877
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 4 is: 1.004
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 5 is: 0.728
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 6 is: 0.893
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 7 is: 0.881
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 8 is: 0.904
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 9 is: 0.998
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 10 is: 0.772
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 11 is: 0.827
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 12 is: 1.018
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 13 is: 1.090
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 14 is: 1.147
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 15 is: 0.923
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 16 is: 0.909
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 17 is: 0.750
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 18 is: 0.843
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 19 is: 0.812
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 20 is: 0.776
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[6..45],[47..56],[63..70],[73..91],[100..122], is: 0.914
> Range of RMSD values to reference struct. is 0.670 to 1.465
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..129],for model 1 is: 2.689
> Kabsch RMSD of backb atoms in res. *[1..129],for model 2 is: 2.203
> Kabsch RMSD of backb atoms in res. *[1..129],for model 3 is: 1.675
> Kabsch RMSD of backb atoms in res. *[1..129],for model 4 is: 1.825
> Kabsch RMSD of backb atoms in res. *[1..129],for model 5 is: 1.518
> Kabsch RMSD of backb atoms in res. *[1..129],for model 6 is: 2.382
> Kabsch RMSD of backb atoms in res. *[1..129],for model 7 is: 1.891
> Kabsch RMSD of backb atoms in res. *[1..129],for model 8 is: 1.883
> Kabsch RMSD of backb atoms in res. *[1..129],for model 9 is: 1.754
> Kabsch RMSD of backb atoms in res. *[1..129],for model 10 is: 1.641
> Kabsch RMSD of backb atoms in res. *[1..129],for model 11 is: 2.018
> Kabsch RMSD of backb atoms in res. *[1..129],for model 12 is: 1.842
> Kabsch RMSD of backb atoms in res. *[1..129],for model 13 is: 2.261
> Kabsch RMSD of backb atoms in res. *[1..129],for model 14 is: 2.177
> Kabsch RMSD of backb atoms in res. *[1..129],for model 15 is: 1.816
> Kabsch RMSD of backb atoms in res. *[1..129],for model 16 is: 1.739
> Kabsch RMSD of backb atoms in res. *[1..129],for model 17 is: 1.653
> Kabsch RMSD of backb atoms in res. *[1..129],for model 18 is: 1.450 (*)
> Kabsch RMSD of backb atoms in res. *[1..129],for model 19 is: 1.923
> Kabsch RMSD of backb atoms in res. *[1..129],for model 20 is: 1.564
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..129], is: 1.895
> Range of RMSD values to reference struct. is 1.450 to 2.689
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 1 is: 3.361
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 2 is: 2.750
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 3 is: 2.116
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 4 is: 2.390
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 5 is: 2.057
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 6 is: 2.945
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 7 is: 2.381
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 8 is: 2.437
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 9 is: 2.302
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 10 is: 2.122
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 11 is: 2.444
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 12 is: 2.255
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 13 is: 2.773
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 14 is: 2.725
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 15 is: 2.453
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 16 is: 2.285
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 17 is: 2.114
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 18 is: 1.982
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 19 is: 2.585
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 20 is: 1.952 (*)
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..129], is: 2.422
> Range of RMSD values to reference struct. is 1.952 to 3.361
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 1.9 0.6 0.6
All heavy atoms 2.4 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 >>>----------+
| |
| SSR10_R3Cons_em_bcr3_020.rin 0.0 2000 residues |
| |
+| Ramachandran plot: 98.0% core 2.0% allow 0.1% gener 0.0% disall |
| |
+| All Ramachandrans: 4 labelled residues (out of2000) |
| Chi1-chi2 plots: 0 labelled residues (out of1400) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
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
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
6 0.67
7 0.90
8 1.02
9 0.92
10 1.14
11 1.18
12 1.08
13 0.95
14 0.99
15 1.07
16 1.07
17 0.75
18 0.93
19 0.42
20 0.38
21 -0.83
22 -0.20
23 0.19
24 0.96
25 1.18
26 0.99
27 1.44
28 1.04
29 0.68
30 0.58
31 1.18
32 1.19
33 0.96
34 0.89
35 0.93
36 1.08
37 0.95
38 0.99
39 1.08
40 1.13
41 1.13
42 1.02
43 0.98
44 0.73
45 -0.27
47 -1.67
48 0.88
49 0.99
50 -0.57
51 0.69
52 1.01
53 0.67
54 -0.53
55 0.39
56 -0.32
63 0.92
64 1.32
65 1.03
66 1.16
67 1.22
68 0.96
69 1.09
70 0.88
73 0.69
74 0.74
75 -0.99
76 -1.51
77 -0.30
78 0.44
79 0.71
80 0.34
81 0.93
82 0.93
83 1.11
84 1.05
85 1.08
86 0.99
87 1.15
88 1.04
89 1.06
90 1.03
91 0.98
100 -0.67
101 0.99
102 1.20
103 0.84
104 1.03
105 1.19
106 1.13
107 1.05
108 1.04
109 0.93
110 1.16
111 1.02
112 0.92
113 1.13
114 1.06
115 1.05
116 0.86
117 1.21
118 0.71
119 1.04
120 1.28
121 0.96
122 -0.16
#Reported_Model_Average 0.760
#Overall_Average_Reported 0.760
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
6 0.68
7 0.90
8 0.99
9 0.82
10 0.35
11 0.93
12 0.89
13 1.07
14 0.99
15 0.95
16 0.95
17 0.09
18 0.66
19 0.47
20 0.69
21 -0.83
22 -0.36
23 0.53
24 0.87
25 1.03
26 0.99
27 1.01
28 0.96
29 0.22
30 -0.46
31 0.82
32 1.11
33 0.96
34 0.89
35 0.42
36 0.76
37 0.95
38 0.39
39 0.80
40 0.96
41 0.99
42 0.82
43 0.93
44 0.57
45 0.39
47 -0.41
48 0.98
49 0.83
50 -0.18
51 0.63
52 1.07
53 0.87
54 0.03
55 0.68
56 0.33
63 0.99
64 1.19
65 0.88
66 0.82
67 0.98
68 0.96
69 0.81
70 0.88
73 0.74
74 1.01
75 -0.13
76 -0.78
77 0.05
78 0.84
79 0.78
80 0.34
81 0.92
82 0.91
83 0.54
84 0.95
85 0.67
86 0.99
87 0.59
88 0.70
89 0.82
90 0.91
91 0.87
100 0.17
101 1.00
102 1.20
103 0.75
104 0.88
105 1.16
106 1.15
107 -0.44
108 0.70
109 0.84
110 1.14
111 0.83
112 0.83
113 1.13
114 0.79
115 0.83
116 0.87
117 0.05
118 0.71
119 0.88
120 1.03
121 0.57
122 0.23
#Reported_Model_Average 0.685
#Overall_Average_Reported 0.685
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
6 0.47 -0.38 -0.38 0.47 0.47 -0.38 0.47 0.16 -0.38 -0.38 -0.38 0.47 0.16 0.47 0.47 0.47 0.47 0.47 0.47 0.47
7 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
8 -0.43 -0.43 -0.43 0.62 -0.58 -0.43 -0.43 -0.43 0.62 -0.43 0.62 0.09 -0.43 0.62 0.62 -0.43 -0.43 -0.58 -0.43 -0.58
9 -0.62 -0.62 0.30 -0.29 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 0.30 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62
10 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50
11 0.86 0.86 0.86 0.86 0.86 0.86 0.50 0.86 0.50 0.86 0.50 0.50 0.86 0.50 0.86 0.86 0.86 0.86 0.86 0.86
12 0.62 0.62 -2.15 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 -0.43
13 -0.43 0.62 0.62 -0.58 0.62 0.62 -0.43 0.62 -0.43 -0.43 -2.15 -0.43 -0.43 0.62 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43
14 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
15 0.09 0.62 0.09 0.62 0.62 0.62 -0.43 -0.43 -0.43 0.62 0.62 0.62 -0.58 0.62 0.09 0.62 0.62 -0.43 0.62 0.62
16 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 0.62 0.62 0.62 0.62
17 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 0.87 -0.22 -0.22 -0.22 -0.22
18 0.71 0.16 -0.30 0.71 0.71 -0.30 0.16 0.71 1.30 -0.30 1.30 0.71 -0.30 0.71 0.16 0.71 0.16 -0.30 0.71 0.71
19 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
20 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.07 0.66
21 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
22 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.51 0.51 0.51
23 0.71 0.16 0.71 -0.30 0.71 0.16 0.71 -0.30 0.16 -0.30 0.71 0.71 0.71 0.71 -0.30 -0.30 -0.30 -0.30 0.16 0.71
24 -0.62 -0.62 -0.62 -0.62 -0.62 0.30 -0.62 -0.62 0.30 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 0.30 -0.62 -0.62
25 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
26 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
27 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
28 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62
29 0.56 0.56 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.94 0.56 -0.94 0.56 0.56
30 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27
31 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.50 0.86 0.86 0.86 0.86
32 0.56 0.66 0.66 0.66 0.66 0.56 0.56 0.66 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66
33 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
34 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
35 -0.58 -0.58 -0.43 -0.43 -0.43 -0.58 0.09 -0.58 0.09 -0.58 0.09 -0.58 -0.43 -0.58 -2.15 -0.58 -0.43 -0.58 -0.43 0.09
36 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 -0.58 0.09 0.09 0.09 0.09 0.09 0.09 0.09
37 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
38 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
39 0.66 -0.94 0.56 0.56 0.66 0.56 0.66 0.56 0.56 0.56 0.56 0.66 0.66 0.56 0.56 0.56 0.56 0.56 0.56 0.56
40 0.71 0.71 0.71 0.71 0.71 -0.30 1.30 0.16 1.30 0.71 1.30 0.16 0.16 0.71 0.16 0.71 0.71 1.30 0.71 0.16
41 1.30 1.30 1.30 1.30 0.71 1.30 0.71 1.30 1.30 0.71 1.30 0.71 0.71 1.30 0.71 0.71 1.30 1.30 0.71 1.30
42 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
43 -0.59 -0.59 -0.59 -0.06 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.06 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
44 -0.43 0.09 -0.43 -0.43 0.62 0.62 0.09 0.62 0.09 0.09 0.62 0.09 -0.43 0.09 0.09 0.09 -0.43 0.09 0.09 0.09
45 -0.56 -0.26 -0.26 -0.26 0.51 0.51 -0.26 -0.26 0.51 -0.26 -0.26 0.51 0.51 -0.26 -0.26 -0.26 -0.26 -0.26 0.51 0.51
47 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 -0.33 1.06 0.77 0.77 0.77 0.77 0.77 -0.33 0.77
48 0.66 0.07 0.07 0.66 0.07 0.07 0.07 0.66 0.07 0.07 0.66 0.07 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.07
49 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
50 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
51 0.39 0.39 0.39 0.39 0.39 0.39 -0.13 0.39 -0.13 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
52 -0.02 0.32 0.32 -0.02 -0.02 0.32 -0.02 -0.58 0.32 -0.02 0.32 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58
53 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02
54 0.30 0.30 0.41 0.41 0.30 0.41 0.30 0.30 0.30 0.30 0.30 0.30 0.41 -0.62 0.41 0.41 0.30 0.30 0.41 0.30
55 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 0.47 -0.10 0.47 -0.10 0.47 -0.10
56 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.51 0.51 0.41 0.51 0.51 0.41 0.41
63 0.62 0.62 0.62 0.60 0.60 0.62 0.60 0.62 0.60 0.62 0.62 0.60 0.60 0.60 0.60 0.62 0.62 0.60 0.62 0.62
64 -0.48 -0.58 -0.48 -0.58 -0.58 -0.58 -0.58 -0.48 -0.58 -0.48 -0.07 -0.58 -0.58 -1.76 -0.58 -0.58 -0.58 -0.48 -0.48 -0.58
65 0.71 1.30 1.30 0.71 0.71 1.30 0.71 1.30 1.30 0.71 1.30 0.71 1.30 1.30 0.71 1.30 1.30 1.30 0.71 1.30
66 -0.22 -1.35 -0.85 -1.35 -1.35 -1.35 -1.35 -0.85 -1.35 -1.35 -1.35 -1.35 -0.22 -1.35 -0.22 -0.22 -0.85 -1.35 -1.35 -1.35
67 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.56 0.66 0.66 0.56 0.66 0.56 0.66 0.66 0.56 0.66 0.66
68 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
69 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
70 0.66 0.66 0.07 0.66 0.66 0.07 0.66 0.07 0.66 0.66 0.07 0.66 0.07 0.66 0.66 0.07 0.07 0.07 0.66 0.66
73 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24
74 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
75 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 -0.26 0.51 0.51 -0.26 0.51
76 -0.26 0.51 -0.26 -0.26 0.51 -0.26 0.51 -0.26 0.51 -0.26 -0.56 -0.26 0.51 0.51 0.51 -0.26 -0.26 -0.26 -0.26 0.51
77 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
78 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
79 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
80 -0.41 -0.41 -0.41 -0.25 -1.11 -0.41 -0.41 -0.41 -0.41 -1.11 -0.25 -0.25 -0.41 -0.25 -0.25 -0.41 -0.41 -0.41 -0.25 -0.41
81 -0.59 -2.36 -0.59 -0.59 -0.59 -2.36 -0.59 -0.59 -2.36 -0.59 -2.36 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
82 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.30 1.30
83 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.01 1.11 1.01 1.11 1.11 1.01 1.11
84 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66
85 0.47 -0.38 -0.38 0.47 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 0.47 -0.38 0.47 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38
86 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
87 0.86 0.86 1.01 0.86 1.01 1.01 0.86 1.11 0.86 0.86 1.01 0.86 1.01 0.86 1.01 1.01 1.01 0.86 0.86 1.01
88 -0.13 -0.20 -0.13 0.39 0.39 -0.13 0.39 -0.13 -0.13 0.39 -0.20 0.39 -0.13 -0.13 0.39 -0.13 -0.13 -0.13 -0.13 -0.13
89 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 0.71 1.30 0.71 1.30 0.71 1.30 1.30
90 0.61 0.17 -0.91 -0.34 0.61 -0.91 -0.91 0.17 0.61 -0.91 0.17 0.82 0.17 0.61 -0.91 0.82 0.82 -0.91 0.82 0.82
91 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 0.30 -0.62 -0.62
100 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.41
101 0.62 0.62 0.60 0.62 0.60 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.60 0.62 0.60 0.62 0.62 0.62 0.62 0.62
102 0.07 0.66 0.07 0.07 0.07 0.66 0.07 0.66 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.66 0.07 0.07
103 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 0.62 -0.58 -0.43 0.62 -0.43 0.62 0.62
104 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
105 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66
106 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.07 0.66 0.66 0.07 0.66 0.66 0.66 0.66
107 0.16 0.71 0.16 0.16 1.30 0.71 1.30 0.71 0.16 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.30 0.71 0.71 1.30
108 -0.94 0.56 -0.94 0.56 0.56 0.56 0.56 -0.94 0.56 -0.94 -0.94 0.56 -0.94 0.56 0.56 0.56 0.56 0.56 0.66 0.56
109 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
110 -0.28 0.29 0.29 -0.28 -0.28 0.29 -0.28 -0.28 0.29 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28
111 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
112 1.10 0.56 0.56 0.56 1.10 0.56 1.10 1.10 1.10 0.56 0.56 0.56 1.10 0.56 0.56 0.56 1.10 0.56 0.56 1.10
113 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66
114 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
115 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
116 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.06 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
117 -0.22 0.87 -0.22 0.87 -0.22 -0.22 -0.22 0.87 0.87 -0.22 0.87 0.87 -0.22 -0.22 0.87 0.87 -0.22 -0.22 0.87 -0.22
118 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
119 0.41 -0.62 0.30 0.41 -0.29 -0.29 -0.62 -0.29 0.30 0.30 0.30 -0.29 0.30 0.30 -0.62 0.30 0.30 0.30 -0.62 -0.62
120 -0.02 -0.02 -0.58 -0.48 -0.02 0.32 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.58 -0.02 -0.02
121 0.47 0.47 0.47 0.47 0.47 -0.38 0.47 -0.38 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.38 0.47 -0.38
122 -0.30 0.71 -0.30 1.30 1.30 0.71 0.71 -0.30 -0.30 0.71 -0.30 0.71 0.16 -0.30 0.71 0.71 -0.30 -0.46 0.71 -0.30
#Reported_Model_Average 0.398 0.386 0.318 0.415 0.447 0.373 0.385 0.382 0.421 0.312 0.389 0.416 0.358 0.405 0.368 0.374 0.390 0.325 0.394 0.401
#Overall_Average_Reported 0.383
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
6 0.47 -0.38 -0.38 0.47 0.47 -0.38 0.47 0.16 -0.38 -0.38 -0.38 0.47 0.16 0.47 0.47 0.47 0.47 0.47 0.47 0.47
7 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
8 -0.43 -0.43 -0.43 0.62 -0.58 -0.43 -0.43 -0.43 0.62 -0.43 0.62 0.09 -0.43 0.62 0.62 -0.43 -0.43 -0.58 -0.43 -0.58
9 -0.62 -0.62 0.30 -0.29 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 0.30 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62
10 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50
11 0.86 0.86 0.86 0.86 0.86 0.86 0.50 0.86 0.50 0.86 0.50 0.50 0.86 0.50 0.86 0.86 0.86 0.86 0.86 0.86
12 0.62 0.62 -2.15 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 -0.43
13 -0.43 0.62 0.62 -0.58 0.62 0.62 -0.43 0.62 -0.43 -0.43 -2.15 -0.43 -0.43 0.62 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43
14 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
15 0.09 0.62 0.09 0.62 0.62 0.62 -0.43 -0.43 -0.43 0.62 0.62 0.62 -0.58 0.62 0.09 0.62 0.62 -0.43 0.62 0.62
16 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 0.62 0.62 0.62 0.62
17 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 0.87 -0.22 -0.22 -0.22 -0.22
18 0.71 0.16 -0.30 0.71 0.71 -0.30 0.16 0.71 1.30 -0.30 1.30 0.71 -0.30 0.71 0.16 0.71 0.16 -0.30 0.71 0.71
19 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
20 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.07 0.66
21 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
22 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.51 0.51 0.51
23 0.71 0.16 0.71 -0.30 0.71 0.16 0.71 -0.30 0.16 -0.30 0.71 0.71 0.71 0.71 -0.30 -0.30 -0.30 -0.30 0.16 0.71
24 -0.62 -0.62 -0.62 -0.62 -0.62 0.30 -0.62 -0.62 0.30 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 0.30 -0.62 -0.62
25 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
26 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
27 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
28 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62
29 0.56 0.56 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.94 0.56 -0.94 0.56 0.56
30 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27
31 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.50 0.86 0.86 0.86 0.86
32 0.56 0.66 0.66 0.66 0.66 0.56 0.56 0.66 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66
33 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
34 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
35 -0.58 -0.58 -0.43 -0.43 -0.43 -0.58 0.09 -0.58 0.09 -0.58 0.09 -0.58 -0.43 -0.58 -2.15 -0.58 -0.43 -0.58 -0.43 0.09
36 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 -0.58 0.09 0.09 0.09 0.09 0.09 0.09 0.09
37 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
38 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
39 0.66 -0.94 0.56 0.56 0.66 0.56 0.66 0.56 0.56 0.56 0.56 0.66 0.66 0.56 0.56 0.56 0.56 0.56 0.56 0.56
40 0.71 0.71 0.71 0.71 0.71 -0.30 1.30 0.16 1.30 0.71 1.30 0.16 0.16 0.71 0.16 0.71 0.71 1.30 0.71 0.16
41 1.30 1.30 1.30 1.30 0.71 1.30 0.71 1.30 1.30 0.71 1.30 0.71 0.71 1.30 0.71 0.71 1.30 1.30 0.71 1.30
42 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
43 -0.59 -0.59 -0.59 -0.06 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.06 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
44 -0.43 0.09 -0.43 -0.43 0.62 0.62 0.09 0.62 0.09 0.09 0.62 0.09 -0.43 0.09 0.09 0.09 -0.43 0.09 0.09 0.09
45 -0.56 -0.26 -0.26 -0.26 0.51 0.51 -0.26 -0.26 0.51 -0.26 -0.26 0.51 0.51 -0.26 -0.26 -0.26 -0.26 -0.26 0.51 0.51
47 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 -0.33 1.06 0.77 0.77 0.77 0.77 0.77 -0.33 0.77
48 0.66 0.07 0.07 0.66 0.07 0.07 0.07 0.66 0.07 0.07 0.66 0.07 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.07
49 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
50 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
51 0.39 0.39 0.39 0.39 0.39 0.39 -0.13 0.39 -0.13 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
52 -0.02 0.32 0.32 -0.02 -0.02 0.32 -0.02 -0.58 0.32 -0.02 0.32 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58
53 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02
54 0.30 0.30 0.41 0.41 0.30 0.41 0.30 0.30 0.30 0.30 0.30 0.30 0.41 -0.62 0.41 0.41 0.30 0.30 0.41 0.30
55 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 0.47 -0.10 0.47 -0.10 0.47 -0.10
56 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.51 0.51 0.41 0.51 0.51 0.41 0.41
63 0.62 0.62 0.62 0.60 0.60 0.62 0.60 0.62 0.60 0.62 0.62 0.60 0.60 0.60 0.60 0.62 0.62 0.60 0.62 0.62
64 -0.48 -0.58 -0.48 -0.58 -0.58 -0.58 -0.58 -0.48 -0.58 -0.48 -0.07 -0.58 -0.58 -1.76 -0.58 -0.58 -0.58 -0.48 -0.48 -0.58
65 0.71 1.30 1.30 0.71 0.71 1.30 0.71 1.30 1.30 0.71 1.30 0.71 1.30 1.30 0.71 1.30 1.30 1.30 0.71 1.30
66 -0.22 -1.35 -0.85 -1.35 -1.35 -1.35 -1.35 -0.85 -1.35 -1.35 -1.35 -1.35 -0.22 -1.35 -0.22 -0.22 -0.85 -1.35 -1.35 -1.35
67 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.56 0.66 0.66 0.56 0.66 0.56 0.66 0.66 0.56 0.66 0.66
68 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
69 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
70 0.66 0.66 0.07 0.66 0.66 0.07 0.66 0.07 0.66 0.66 0.07 0.66 0.07 0.66 0.66 0.07 0.07 0.07 0.66 0.66
73 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24
74 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
75 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 -0.26 0.51 0.51 -0.26 0.51
76 -0.26 0.51 -0.26 -0.26 0.51 -0.26 0.51 -0.26 0.51 -0.26 -0.56 -0.26 0.51 0.51 0.51 -0.26 -0.26 -0.26 -0.26 0.51
77 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
78 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
79 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
80 -0.41 -0.41 -0.41 -0.25 -1.11 -0.41 -0.41 -0.41 -0.41 -1.11 -0.25 -0.25 -0.41 -0.25 -0.25 -0.41 -0.41 -0.41 -0.25 -0.41
81 -0.59 -2.36 -0.59 -0.59 -0.59 -2.36 -0.59 -0.59 -2.36 -0.59 -2.36 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
82 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.30 1.30
83 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.01 1.11 1.01 1.11 1.11 1.01 1.11
84 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66
85 0.47 -0.38 -0.38 0.47 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 0.47 -0.38 0.47 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38
86 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
87 0.86 0.86 1.01 0.86 1.01 1.01 0.86 1.11 0.86 0.86 1.01 0.86 1.01 0.86 1.01 1.01 1.01 0.86 0.86 1.01
88 -0.13 -0.20 -0.13 0.39 0.39 -0.13 0.39 -0.13 -0.13 0.39 -0.20 0.39 -0.13 -0.13 0.39 -0.13 -0.13 -0.13 -0.13 -0.13
89 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 0.71 1.30 0.71 1.30 0.71 1.30 1.30
90 0.61 0.17 -0.91 -0.34 0.61 -0.91 -0.91 0.17 0.61 -0.91 0.17 0.82 0.17 0.61 -0.91 0.82 0.82 -0.91 0.82 0.82
91 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 0.30 -0.62 -0.62
100 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.41
101 0.62 0.62 0.60 0.62 0.60 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.60 0.62 0.60 0.62 0.62 0.62 0.62 0.62
102 0.07 0.66 0.07 0.07 0.07 0.66 0.07 0.66 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.66 0.07 0.07
103 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 0.62 -0.58 -0.43 0.62 -0.43 0.62 0.62
104 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
105 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66
106 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.07 0.66 0.66 0.07 0.66 0.66 0.66 0.66
107 0.16 0.71 0.16 0.16 1.30 0.71 1.30 0.71 0.16 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.30 0.71 0.71 1.30
108 -0.94 0.56 -0.94 0.56 0.56 0.56 0.56 -0.94 0.56 -0.94 -0.94 0.56 -0.94 0.56 0.56 0.56 0.56 0.56 0.66 0.56
109 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
110 -0.28 0.29 0.29 -0.28 -0.28 0.29 -0.28 -0.28 0.29 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28
111 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
112 1.10 0.56 0.56 0.56 1.10 0.56 1.10 1.10 1.10 0.56 0.56 0.56 1.10 0.56 0.56 0.56 1.10 0.56 0.56 1.10
113 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66
114 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
115 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
116 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.06 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
117 -0.22 0.87 -0.22 0.87 -0.22 -0.22 -0.22 0.87 0.87 -0.22 0.87 0.87 -0.22 -0.22 0.87 0.87 -0.22 -0.22 0.87 -0.22
118 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
119 0.41 -0.62 0.30 0.41 -0.29 -0.29 -0.62 -0.29 0.30 0.30 0.30 -0.29 0.30 0.30 -0.62 0.30 0.30 0.30 -0.62 -0.62
120 -0.02 -0.02 -0.58 -0.48 -0.02 0.32 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.58 -0.02 -0.02
121 0.47 0.47 0.47 0.47 0.47 -0.38 0.47 -0.38 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.38 0.47 -0.38
122 -0.30 0.71 -0.30 1.30 1.30 0.71 0.71 -0.30 -0.30 0.71 -0.30 0.71 0.16 -0.30 0.71 0.71 -0.30 -0.46 0.71 -0.30
#Reported_Model_Average 0.398 0.386 0.318 0.415 0.447 0.373 0.385 0.382 0.421 0.312 0.389 0.416 0.358 0.405 0.368 0.374 0.390 0.325 0.394 0.401
#Overall_Average_Reported 0.383
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
6.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
7.000 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
8.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1
9.000 0 0 1 1 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0
10.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
11.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
12.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
13.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
15.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
16.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
17.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
18.000 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
19.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
20.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
21.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
22.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
23.000 1 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0
24.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
25.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
26.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
27.000 2 0 1 1 0 0 1 2 1 1 1 0 0 1 1 1 0 2 1 0
28.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
29.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
30.000 1 0 3 0 0 0 0 5 1 1 3 0 0 1 0 1 1 2 1 1
31.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
32.000 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
34.000 0 1 1 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0
35.000 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0
36.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
37.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
38.000 0 1 0 1 0 1 1 2 1 1 2 0 0 0 0 1 0 1 1 1
39.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
40.000 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0
41.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
42.000 1 2 1 2 2 4 2 3 2 3 2 1 2 1 1 1 1 2 3 3
43.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
44.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
45.000 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0
47.000 1 1 1 1 1 3 1 2 1 2 1 1 2 1 1 0 1 1 1 2
48.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
49.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
50.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
51.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
52.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
53.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
54.000 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0
55.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
56.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
63.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
64.000 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0
65.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
66.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
67.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
68.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
69.000 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0
70.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
73.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
74.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
75.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
76.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
77.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
78.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0
79.000 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
80.000 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1
81.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
82.000 3 1 0 1 1 1 0 0 0 0 0 0 1 1 0 1 0 0 1 0
83.000 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0
84.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
85.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
86.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
87.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
88.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
89.000 0 0 3 0 0 0 1 0 0 1 0 0 0 0 1 1 1 0 1 0
90.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
91.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
100.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
101.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
102.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
103.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
104.000 0 0 0 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0
105.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
106.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
107.000 2 0 0 0 0 0 1 1 0 3 0 0 0 2 1 1 0 0 1 0
108.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
109.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
110.000 2 1 0 1 1 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0
111.000 0 1 1 0 0 0 0 1 1 0 1 0 0 0 0 0 1 0 0 1
112.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
113.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
114.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
115.000 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
116.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
117.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
118.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
119.000 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
120.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
121.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
122.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.210 0.110 0.180 0.150 0.110 0.240 0.110 0.220 0.120 0.170 0.170 0.070 0.090 0.130 0.080 0.130 0.110 0.100 0.140 0.110
#Overall_Average_Reported 0.138
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 18 LEU O :A 18 LEU 3HD2 : -0.646: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.545: 0
: 2123:A 125 HIS O :A 126 HIS 1HB : -0.523: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.485: 0
: 2123:A 107 LEU 3HD1 :A 107 LEU HA : -0.445: 0
: 2123:A 110 ASP 2HB :A 82 LEU 2HD2 : -0.438: 0
: 2123:A 82 LEU CD2 :A 110 ASP 2HB : -0.409: 0
: 2123:A 114 LEU 1HB :A 82 LEU 3HD1 : -0.401: 0
: 2123:A 23 LEU O :A 27 CYS SG : -0.435: 0
: 2123:A 92 GLU HA :A 96 GLU 1HB : -0.435: 0
: 2123:A 30 TYR 2HB :A 27 CYS HA : -0.417: 0
: 2123:A 71 LEU 2HD1 :A 50 ILE 1HG1 : -0.430: 0
: 2123:A 115 VAL O :A 119 VAL 3HG2 : -0.401: 0
#sum2 ::6.12 clashscore : 6.12 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236883 potential dots:14810.0 A^2:13 bumps:13 bumps B<40:814.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.502: 0
: 2123:A 38 ILE O :A 42 VAL 3HG2 : -0.413: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.461: 0
: 2123:A 82 LEU 2HD2 :A 110 ASP HA : -0.441: 0
: 2123:A 111 VAL 2HG2 :A 34 ALA 2HB : -0.439: 0
: 2123:A 97 LEU O :A 24 VAL HA : -0.423: 0
: 2123:A 126 HIS 2HB :A 125 HIS O : -0.415: 0
#sum2 ::3.30 clashscore : 3.30 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:237077 potential dots:14820.0 A^2:7 bumps:7 bumps B<40:904.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.494: 0
: 2123:A 9 VAL 2HG2 :A 3 ILE HB : -0.488: 0
: 2123:A 30 TYR CE2 :A 27 CYS HA : -0.472: 0
: 2123:A 30 TYR CD1 :A 30 TYR C : -0.449: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.456: 0
: 2123:A 89 LEU HG :A 86 ALA O : -0.439: 0
: 2123:A 89 LEU 2HD1 :A 89 LEU C : -0.438: 0
: 2123:A 111 VAL 2HG2 :A 34 ALA 2HB : -0.429: 0
: 2123:A 98 SER 1HB :A 23 LEU 1HB : -0.428: 0
: 2123:A 32 LYS HA :A 35 GLU 1HG : -0.403: 0
#sum2 ::4.71 clashscore : 4.71 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236924 potential dots:14810.0 A^2:10 bumps:10 bumps B<40:891 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.505: 0
: 2123:A 76 ASN 2HB :A 79 ILE 2HG1 : -0.434: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.499: 0
: 2123:A 42 VAL 3HG2 :A 38 ILE O : -0.401: 0
: 2123:A 27 CYS SG :A 104 VAL 2HG2 : -0.469: 0
: 2123:A 82 LEU 2HD2 :A 110 ASP HA : -0.443: 0
: 2123:A 94 PHE O :A 95 HIS 2HB : -0.417: 0
: 2123:A 5 THR O :A 9 VAL 3HG2 : -0.408: 0
: 2123:A 83 TRP CD1 :A 66 PHE HA : -0.402: 0
#sum2 ::4.24 clashscore : 4.24 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236995 potential dots:14810.0 A^2:9 bumps:9 bumps B<40:920.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 94 PHE 2HB :A 93 GLY O : -0.509: 0
: 2123:A 93 GLY 1HA :A 97 LEU 1HB : -0.429: 0
: 2123:A 99 LEU HG :A 97 LEU HG : -0.406: 0
: 2123:A 61 LYS O :A 63 GLU N : -0.500: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.482: 0
: 2123:A 68 ALA 1HB :A 42 VAL CG2 : -0.453: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.435: 0
: 2123:A 115 VAL 2HG2 :A 7 ALA 1HB : -0.427: 0
: 2123:A 82 LEU 2HD2 :A 110 ASP HA : -0.412: 0
#sum2 ::4.24 clashscore : 4.24 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236805 potential dots:14800.0 A^2:9 bumps:9 bumps B<40:921.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 54 VAL 2HG1 :A 54 VAL O : -0.729: 0
: 2123:A 54 VAL O :A 54 VAL CG1 : -0.524: 0
: 2123:A 60 TRP CD1 :A 54 VAL 1HG1 : -0.417: 0
: 2123:A 45 ASN O :A 46 ASN 1HB : -0.634: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.622: 0
: 2123:A 42 VAL 3HG1 :A 47 LEU CB : -0.459: 0
: 2123:A 38 ILE O :A 42 VAL 3HG2 : -0.444: 0
: 2123:A 47 LEU 1HB :A 42 VAL CG1 : -0.415: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.473: 0
: 2123:A 128 HIS 2HB :A 127 HIS O : -0.431: 0
: 2123:A 40 LEU 1HB :A 118 ALA 1HB : -0.418: 0
: 2123:A 115 VAL 2HG2 :A 7 ALA 1HB : -0.411: 0
: 2123:A 82 LEU 2HD2 :A 110 ASP HA : -0.405: 0
: 2123:A 104 VAL 1HG2 :A 23 LEU 2HD2 : -0.402: 0
#sum2 ::6.59 clashscore : 6.59 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236993 potential dots:14810.0 A^2:14 bumps:14 bumps B<40:889.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.495: 0
: 2123:A 38 ILE O :A 42 VAL 3HG2 : -0.418: 0
: 2123:A 122 LEU 1HD2 :A 40 LEU 2HD2 : -0.455: 0
: 2123:A 27 CYS SG :A 99 LEU 2HD1 : -0.448: 0
: 2123:A 107 LEU HG :A 89 LEU 2HD1 : -0.425: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.408: 0
#sum2 ::2.83 clashscore : 2.83 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236956 potential dots:14810.0 A^2:6 bumps:6 bumps B<40:845.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 27 CYS HA :A 30 TYR CZ : -0.517: 0
: 2123:A 30 TYR CE2 :A 27 CYS HA : -0.446: 0
: 2123:A 107 LEU 2HB :A 30 TYR CE1 : -0.442: 0
: 2123:A 30 TYR CD1 :A 30 TYR C : -0.416: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.449: 0
: 2123:A 80 PRO HA :A 69 SER 2HB : -0.426: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.446: 0
: 2123:A 47 LEU 2HD1 :A 42 VAL 2HG2 : -0.405: 0
: 2123:A 38 ILE O :A 42 VAL 3HG2 : -0.401: 0
: 2123:A 83 TRP CE3 :A 38 ILE 2HG1 : -0.400: 0
: 2123:A 96 GLU 1HB :A 95 HIS O : -0.428: 0
: 2123:A 111 VAL 2HG2 :A 34 ALA 2HB : -0.405: 0
#sum2 ::5.65 clashscore : 5.65 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:237097 potential dots:14820.0 A^2:12 bumps:12 bumps B<40:850.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 27 CYS HA :A 30 TYR CZ : -0.541: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.456: 0
: 2123:A 38 ILE O :A 42 VAL 3HG2 : -0.403: 0
: 2123:A 111 VAL 2HG2 :A 34 ALA 2HB : -0.440: 0
: 2123:A 83 TRP O :A 87 TRP N : -0.436: 0
: 2123:A 99 LEU HG :A 97 LEU HG : -0.420: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.416: 0
#sum2 ::3.30 clashscore : 3.30 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236915 potential dots:14810.0 A^2:7 bumps:7 bumps B<40:871.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 30 TYR CE2 :A 27 CYS HA : -0.476: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.457: 0
: 2123:A 80 PRO HA :A 69 SER 2HB : -0.447: 0
: 2123:A 107 LEU HG :A 89 LEU 2HD1 : -0.438: 0
: 2123:A 127 HIS N :A 125 HIS O : -0.438: 0
: 2123:A 107 LEU 3HD1 :A 107 LEU HA : -0.435: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.432: 0
: 2123:A 47 LEU 2HD1 :A 42 VAL 2HG2 : -0.416: 0
: 2123:A 38 ILE O :A 42 VAL 3HG2 : -0.406: 0
: 2123:A 64 ASN H :A 61 LYS 2HG : -0.410: 0
#sum2 ::4.71 clashscore : 4.71 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236951 potential dots:14810.0 A^2:10 bumps:10 bumps B<40:877.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 91 VAL 2HG1 :A 92 GLU 2HG : -0.502: 0
: 2123:A 111 VAL 2HG2 :A 34 ALA 2HB : -0.480: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.466: 0
: 2123:A 38 ILE O :A 42 VAL 3HG2 : -0.428: 0
: 2123:A 38 ILE 2HG1 :A 83 TRP CE3 : -0.409: 0
: 2123:A 27 CYS HA :A 30 TYR CZ : -0.455: 0
: 2123:A 30 TYR CD1 :A 30 TYR C : -0.416: 0
: 2123:A 96 GLU 1HB :A 95 HIS O : -0.441: 0
: 2123:A 5 THR O :A 9 VAL 3HG2 : -0.438: 0
: 2123:A 1 MET SD :A 9 VAL 3HG1 : -0.407: 0
: 2123:A 94 PHE 1HB :A 93 GLY O : -0.424: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.416: 0
#sum2 ::5.65 clashscore : 5.65 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236936 potential dots:14810.0 A^2:12 bumps:12 bumps B<40:902.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.541: 0
: 2123:A 93 GLY 1HA :A 97 LEU 1HB : -0.513: 0
: 2123:A 94 PHE 2HB :A 93 GLY O : -0.445: 0
: 2123:A 1 MET SD :A 119 VAL 1HG1 : -0.424: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.424: 0
: 2123:A 104 VAL 1HG2 :A 23 LEU 2HD2 : -0.413: 0
: 2123:A 128 HIS 2HB :A 127 HIS O : -0.401: 0
#sum2 ::3.30 clashscore : 3.30 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:237035 potential dots:14810.0 A^2:7 bumps:7 bumps B<40:897.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 45 ASN O :A 46 ASN 1HB : -0.628: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.628: 0
: 2123:A 42 VAL 3HG1 :A 47 LEU CB : -0.459: 0
: 2123:A 46 ASN O :A 46 ASN OD1 : -0.411: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.463: 0
: 2123:A 78 GLU O :A 82 LEU HG : -0.431: 0
#sum2 ::2.83 clashscore : 2.83 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236919 potential dots:14810.0 A^2:6 bumps:6 bumps B<40:914.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 110 ASP 2HB :A 82 LEU 2HD2 : -0.565: 0
: 2123:A 27 CYS HA :A 30 TYR CZ : -0.481: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.444: 0
: 2123:A 47 LEU 2HD1 :A 42 VAL 2HG2 : -0.439: 0
: 2123:A 107 LEU 3HD1 :A 107 LEU HA : -0.432: 0
: 2123:A 35 GLU 1HG :A 32 LYS O : -0.427: 0
: 2123:A 64 ASN 1HB :A 60 TRP O : -0.403: 0
#sum2 ::3.30 clashscore : 3.30 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236956 potential dots:14810.0 A^2:7 bumps:7 bumps B<40:841.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 80 PRO 2HD :A 79 ILE HB : -0.522: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.503: 0
: 2123:A 89 LEU 1HD1 :A 107 LEU HG : -0.442: 0
: 2123:A 27 CYS SG :A 104 VAL 2HG2 : -0.436: 0
: 2123:A 128 HIS 1HB :A 127 HIS O : -0.416: 0
#sum2 ::2.36 clashscore : 2.36 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236970 potential dots:14810.0 A^2:5 bumps:5 bumps B<40:856.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 30 TYR CE2 :A 27 CYS HA : -0.541: 0
: 2123:A 32 LYS HA :A 35 GLU 1HG : -0.481: 0
: 2123:A 89 LEU CD1 :A 107 LEU HG : -0.468: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.431: 0
: 2123:A 8 GLU OE1 :A 4 SER N : -0.426: 0
: 2123:A 82 LEU 2HD2 :A 110 ASP HA : -0.412: 0
: 2123:A 38 ILE O :A 42 VAL 3HG2 : -0.406: 0
#sum2 ::3.30 clashscore : 3.30 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:237212 potential dots:14830.0 A^2:7 bumps:7 bumps B<40:867.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.588: 0
: 2123:A 1 MET SD :A 9 VAL 2HG2 : -0.509: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.486: 0
: 2123:A 80 PRO HA :A 69 SER 2HB : -0.424: 0
: 2123:A 96 GLU 1HB :A 95 HIS O : -0.429: 0
: 2123:A 97 LEU N :A 97 LEU 2HD2 : -0.421: 0
: 2123:A 111 VAL 1HG2 :A 30 TYR 2HB : -0.412: 0
: 2123:A 129 HIS O :A 129 HIS CG : -0.403: 0
: 2123:A 89 LEU 1HB :A 86 ALA O : -0.400: 0
#sum2 ::4.24 clashscore : 4.24 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236907 potential dots:14810.0 A^2:9 bumps:9 bumps B<40:882.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 3 ILE C :A 3 ILE 2HD1 : -0.546: 0
: 2123:A 3 ILE H :A 3 ILE 2HG1 : -0.419: 0
: 2123:A 27 CYS HA :A 30 TYR CZ : -0.502: 0
: 2123:A 30 TYR CE2 :A 27 CYS HA : -0.429: 0
: 2123:A 80 PRO 2HD :A 79 ILE HB : -0.496: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.495: 0
: 2123:A 38 ILE O :A 42 VAL 3HG2 : -0.417: 0
#sum2 ::3.30 clashscore : 3.30 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:237103 potential dots:14820.0 A^2:7 bumps:7 bumps B<40:893.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 27 CYS HA :A 30 TYR CZ : -0.522: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.522: 0
: 2123:A 68 ALA 1HB :A 42 VAL CG2 : -0.410: 0
: 2123:A 38 ILE O :A 42 VAL 3HG2 : -0.408: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.490: 0
: 2123:A 126 HIS 2HB :A 125 HIS O : -0.441: 0
: 2123:A 78 GLU O :A 82 LEU HG : -0.435: 0
: 2123:A 4 SER N :A 3 ILE CG2 : -0.434: 0
: 2123:A 3 ILE 2HG2 :A 4 SER N : -0.425: 0
: 2123:A 89 LEU 1HD1 :A 107 LEU HG : -0.400: 0
#sum2 ::4.71 clashscore : 4.71 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236935 potential dots:14810.0 A^2:10 bumps:10 bumps B<40:853.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 93 GLY 1HA :A 97 LEU 1HB : -0.512: 0
: 2123:A 99 LEU HG :A 97 LEU HG : -0.422: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.462: 0
: 2123:A 38 ILE O :A 42 VAL 3HG2 : -0.436: 0
: 2123:A 47 LEU 2HD1 :A 42 VAL 2HG2 : -0.410: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.405: 0
: 2123:A 111 VAL 1HG2 :A 30 TYR 2HB : -0.416: 0
: 2123:A 8 GLU 1HG :A 1 MET SD : -0.409: 0
#sum2 ::3.77 clashscore : 3.77 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:237067 potential dots:14820.0 A^2:8 bumps:8 bumps B<40:917.2 score
Output from PDB validation software
Summary from PDB validation
May. 11, 00:27:11 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
Chain Atom Res Seq Chain Atom Res Seq Mol_ID Distance
-------------------------------------------------------------------------
A O LEU 107 - A H VAL 111 16 Dist = 1.59
A O LEU 107 - A H VAL 111 10 Dist = 1.60
A O TRP 83 - A H TRP 87 8 Dist = 1.60
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.009 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.6 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-7.7 CYS A 27 1 N - CA - CB 102.8 110.5
-7.6 CYS A 27 2 N - CA - CB 102.9 110.5
-7.7 CYS A 27 3 N - CA - CB 102.8 110.5
-8.0 CYS A 27 4 N - CA - CB 102.5 110.5
-7.8 CYS A 27 5 N - CA - CB 102.7 110.5
-8.0 CYS A 27 6 N - CA - CB 102.5 110.5
-4.0 GLY A 93 6 N - CA - C 108.5 112.5
-7.8 CYS A 27 7 N - CA - CB 102.7 110.5
-7.6 CYS A 27 8 N - CA - CB 102.9 110.5
-7.6 CYS A 27 9 N - CA - CB 102.9 110.5
-7.8 CYS A 27 10 N - CA - CB 102.7 110.5
-7.9 CYS A 27 11 N - CA - CB 102.6 110.5
-8.0 CYS A 27 12 N - CA - CB 102.5 110.5
-7.9 CYS A 27 13 N - CA - CB 102.6 110.5
-7.7 CYS A 27 14 N - CA - CB 102.8 110.5
-7.7 CYS A 27 15 N - CA - CB 102.8 110.5
-3.8 GLU A 96 15 N - CA - C 107.4 111.2
-7.7 CYS A 27 16 N - CA - CB 102.8 110.5
-7.9 CYS A 27 17 N - CA - CB 102.6 110.5
-7.8 CYS A 27 18 N - CA - CB 102.7 110.5
-7.6 CYS A 27 19 N - CA - CB 102.9 110.5
-7.8 CYS A 27 20 N - CA - CB 102.7 110.5
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A GLN 25 1HE2
1 A GLN 25 2HE2
1 A ASN 45 1HD2
1 A ASN 45 2HD2
1 A ASN 46 1HD2
1 A ASN 46 2HD2
1 A ASN 52 1HD2
1 A ASN 52 2HD2
1 A ASN 53 1HD2
1 A ASN 53 2HD2
1 A ASN 56 1HD2
1 A ASN 56 2HD2
1 A ASN 64 1HD2
1 A ASN 64 2HD2
1 A ASN 75 1HD2
1 A ASN 75 2HD2
1 A ASN 76 1HD2
1 A ASN 76 2HD2
1 A ASN 100 1HD2
1 A ASN 100 2HD2
1 A ASN 120 1HD2
1 A ASN 120 2HD2
2 A GLN 25 1HE2
2 A GLN 25 2HE2
2 A ASN 45 1HD2
2 A ASN 45 2HD2
2 A ASN 46 1HD2
2 A ASN 46 2HD2
2 A ASN 52 1HD2
2 A ASN 52 2HD2
2 A ASN 53 1HD2
2 A ASN 53 2HD2
2 A ASN 56 1HD2
2 A ASN 56 2HD2
2 A ASN 64 1HD2
2 A ASN 64 2HD2
2 A ASN 75 1HD2
2 A ASN 75 2HD2
2 A ASN 76 1HD2
2 A ASN 76 2HD2
2 A ASN 100 1HD2
2 A ASN 100 2HD2
2 A ASN 120 1HD2
2 A ASN 120 2HD2
3 A GLN 25 1HE2
3 A GLN 25 2HE2
3 A ASN 45 1HD2
3 A ASN 45 2HD2
3 A ASN 46 1HD2
3 A ASN 46 2HD2
3 A ASN 52 1HD2
3 A ASN 52 2HD2
3 A ASN 53 1HD2
3 A ASN 53 2HD2
3 A ASN 56 1HD2
3 A ASN 56 2HD2
3 A ASN 64 1HD2
3 A ASN 64 2HD2
3 A ASN 75 1HD2
3 A ASN 75 2HD2
3 A ASN 76 1HD2
3 A ASN 76 2HD2
3 A ASN 100 1HD2
3 A ASN 100 2HD2
3 A ASN 120 1HD2
3 A ASN 120 2HD2
4 A GLN 25 1HE2
4 A GLN 25 2HE2
4 A ASN 45 1HD2
4 A ASN 45 2HD2
4 A ASN 46 1HD2
4 A ASN 46 2HD2
4 A ASN 52 1HD2
4 A ASN 52 2HD2
4 A ASN 53 1HD2
4 A ASN 53 2HD2
4 A ASN 56 1HD2
4 A ASN 56 2HD2
4 A ASN 64 1HD2
4 A ASN 64 2HD2
4 A ASN 75 1HD2
4 A ASN 75 2HD2
4 A ASN 76 1HD2
4 A ASN 76 2HD2
4 A ASN 100 1HD2
4 A ASN 100 2HD2
4 A ASN 120 1HD2
4 A ASN 120 2HD2
5 A GLN 25 1HE2
5 A GLN 25 2HE2
5 A ASN 45 1HD2
5 A ASN 45 2HD2
5 A ASN 46 1HD2
5 A ASN 46 2HD2
5 A ASN 52 1HD2
5 A ASN 52 2HD2
5 A ASN 53 1HD2
5 A ASN 53 2HD2
5 A ASN 56 1HD2
5 A ASN 56 2HD2
5 A ASN 64 1HD2
5 A ASN 64 2HD2
5 A ASN 75 1HD2
5 A ASN 75 2HD2
5 A ASN 76 1HD2
5 A ASN 76 2HD2
5 A ASN 100 1HD2
5 A ASN 100 2HD2
5 A ASN 120 1HD2
5 A ASN 120 2HD2
6 A GLN 25 1HE2
6 A GLN 25 2HE2
6 A ASN 45 1HD2
6 A ASN 45 2HD2
6 A ASN 46 1HD2
6 A ASN 46 2HD2
6 A ASN 52 1HD2
6 A ASN 52 2HD2
6 A ASN 53 1HD2
6 A ASN 53 2HD2
6 A ASN 56 1HD2
6 A ASN 56 2HD2
6 A ASN 64 1HD2
6 A ASN 64 2HD2
6 A ASN 75 1HD2
6 A ASN 75 2HD2
6 A ASN 76 1HD2
6 A ASN 76 2HD2
6 A ASN 100 1HD2
6 A ASN 100 2HD2
6 A ASN 120 1HD2
6 A ASN 120 2HD2
7 A GLN 25 1HE2
7 A GLN 25 2HE2
7 A ASN 45 1HD2
7 A ASN 45 2HD2
7 A ASN 46 1HD2
7 A ASN 46 2HD2
7 A ASN 52 1HD2
7 A ASN 52 2HD2
7 A ASN 53 1HD2
7 A ASN 53 2HD2
7 A ASN 56 1HD2
7 A ASN 56 2HD2
7 A ASN 64 1HD2
7 A ASN 64 2HD2
7 A ASN 75 1HD2
7 A ASN 75 2HD2
7 A ASN 76 1HD2
7 A ASN 76 2HD2
7 A ASN 100 1HD2
7 A ASN 100 2HD2
7 A ASN 120 1HD2
7 A ASN 120 2HD2
8 A GLN 25 1HE2
8 A GLN 25 2HE2
8 A ASN 45 1HD2
8 A ASN 45 2HD2
8 A ASN 46 1HD2
8 A ASN 46 2HD2
8 A ASN 52 1HD2
8 A ASN 52 2HD2
8 A ASN 53 1HD2
8 A ASN 53 2HD2
8 A ASN 56 1HD2
8 A ASN 56 2HD2
8 A ASN 64 1HD2
8 A ASN 64 2HD2
8 A ASN 75 1HD2
8 A ASN 75 2HD2
8 A ASN 76 1HD2
8 A ASN 76 2HD2
8 A ASN 100 1HD2
8 A ASN 100 2HD2
8 A ASN 120 1HD2
8 A ASN 120 2HD2
9 A GLN 25 1HE2
9 A GLN 25 2HE2
9 A ASN 45 1HD2
9 A ASN 45 2HD2
9 A ASN 46 1HD2
9 A ASN 46 2HD2
9 A ASN 52 1HD2
9 A ASN 52 2HD2
9 A ASN 53 1HD2
9 A ASN 53 2HD2
9 A ASN 56 1HD2
9 A ASN 56 2HD2
9 A ASN 64 1HD2
9 A ASN 64 2HD2
9 A ASN 75 1HD2
9 A ASN 75 2HD2
9 A ASN 76 1HD2
9 A ASN 76 2HD2
9 A ASN 100 1HD2
9 A ASN 100 2HD2
9 A ASN 120 1HD2
9 A ASN 120 2HD2
10 A GLN 25 1HE2
10 A GLN 25 2HE2
10 A ASN 45 1HD2
10 A ASN 45 2HD2
10 A ASN 46 1HD2
10 A ASN 46 2HD2
10 A ASN 52 1HD2
10 A ASN 52 2HD2
10 A ASN 53 1HD2
10 A ASN 53 2HD2
10 A ASN 56 1HD2
10 A ASN 56 2HD2
10 A ASN 64 1HD2
10 A ASN 64 2HD2
10 A ASN 75 1HD2
10 A ASN 75 2HD2
10 A ASN 76 1HD2
10 A ASN 76 2HD2
10 A ASN 100 1HD2
10 A ASN 100 2HD2
10 A ASN 120 1HD2
10 A ASN 120 2HD2
11 A GLN 25 1HE2
11 A GLN 25 2HE2
11 A ASN 45 1HD2
11 A ASN 45 2HD2
11 A ASN 46 1HD2
11 A ASN 46 2HD2
11 A ASN 52 1HD2
11 A ASN 52 2HD2
11 A ASN 53 1HD2
11 A ASN 53 2HD2
11 A ASN 56 1HD2
11 A ASN 56 2HD2
11 A ASN 64 1HD2
11 A ASN 64 2HD2
11 A ASN 75 1HD2
11 A ASN 75 2HD2
11 A ASN 76 1HD2
11 A ASN 76 2HD2
11 A ASN 100 1HD2
11 A ASN 100 2HD2
11 A ASN 120 1HD2
11 A ASN 120 2HD2
12 A GLN 25 1HE2
12 A GLN 25 2HE2
12 A ASN 45 1HD2
12 A ASN 45 2HD2
12 A ASN 46 1HD2
12 A ASN 46 2HD2
12 A ASN 52 1HD2
12 A ASN 52 2HD2
12 A ASN 53 1HD2
12 A ASN 53 2HD2
12 A ASN 56 1HD2
12 A ASN 56 2HD2
12 A ASN 64 1HD2
12 A ASN 64 2HD2
12 A ASN 75 1HD2
12 A ASN 75 2HD2
12 A ASN 76 1HD2
12 A ASN 76 2HD2
12 A ASN 100 1HD2
12 A ASN 100 2HD2
12 A ASN 120 1HD2
12 A ASN 120 2HD2
13 A GLN 25 1HE2
13 A GLN 25 2HE2
13 A ASN 45 1HD2
13 A ASN 45 2HD2
13 A ASN 46 1HD2
13 A ASN 46 2HD2
13 A ASN 52 1HD2
13 A ASN 52 2HD2
13 A ASN 53 1HD2
13 A ASN 53 2HD2
13 A ASN 56 1HD2
13 A ASN 56 2HD2
13 A ASN 64 1HD2
13 A ASN 64 2HD2
13 A ASN 75 1HD2
13 A ASN 75 2HD2
13 A ASN 76 1HD2
13 A ASN 76 2HD2
13 A ASN 100 1HD2
13 A ASN 100 2HD2
13 A ASN 120 1HD2
13 A ASN 120 2HD2
14 A GLN 25 1HE2
14 A GLN 25 2HE2
14 A ASN 45 1HD2
14 A ASN 45 2HD2
14 A ASN 46 1HD2
14 A ASN 46 2HD2
14 A ASN 52 1HD2
14 A ASN 52 2HD2
14 A ASN 53 1HD2
14 A ASN 53 2HD2
14 A ASN 56 1HD2
14 A ASN 56 2HD2
14 A ASN 64 1HD2
14 A ASN 64 2HD2
14 A ASN 75 1HD2
14 A ASN 75 2HD2
14 A ASN 76 1HD2
14 A ASN 76 2HD2
14 A ASN 100 1HD2
14 A ASN 100 2HD2
14 A ASN 120 1HD2
14 A ASN 120 2HD2
15 A GLN 25 1HE2
15 A GLN 25 2HE2
15 A ASN 45 1HD2
15 A ASN 45 2HD2
15 A ASN 46 1HD2
15 A ASN 46 2HD2
15 A ASN 52 1HD2
15 A ASN 52 2HD2
15 A ASN 53 1HD2
15 A ASN 53 2HD2
15 A ASN 56 1HD2
15 A ASN 56 2HD2
15 A ASN 64 1HD2
15 A ASN 64 2HD2
15 A ASN 75 1HD2
15 A ASN 75 2HD2
15 A ASN 76 1HD2
15 A ASN 76 2HD2
15 A ASN 100 1HD2
15 A ASN 100 2HD2
15 A ASN 120 1HD2
15 A ASN 120 2HD2
16 A GLN 25 1HE2
16 A GLN 25 2HE2
16 A ASN 45 1HD2
16 A ASN 45 2HD2
16 A ASN 46 1HD2
16 A ASN 46 2HD2
16 A ASN 52 1HD2
16 A ASN 52 2HD2
16 A ASN 53 1HD2
16 A ASN 53 2HD2
16 A ASN 56 1HD2
16 A ASN 56 2HD2
16 A ASN 64 1HD2
16 A ASN 64 2HD2
16 A ASN 75 1HD2
16 A ASN 75 2HD2
16 A ASN 76 1HD2
16 A ASN 76 2HD2
16 A ASN 100 1HD2
16 A ASN 100 2HD2
16 A ASN 120 1HD2
16 A ASN 120 2HD2
17 A GLN 25 1HE2
17 A GLN 25 2HE2
17 A ASN 45 1HD2
17 A ASN 45 2HD2
17 A ASN 46 1HD2
17 A ASN 46 2HD2
17 A ASN 52 1HD2
17 A ASN 52 2HD2
17 A ASN 53 1HD2
17 A ASN 53 2HD2
17 A ASN 56 1HD2
17 A ASN 56 2HD2
17 A ASN 64 1HD2
17 A ASN 64 2HD2
17 A ASN 75 1HD2
17 A ASN 75 2HD2
17 A ASN 76 1HD2
17 A ASN 76 2HD2
17 A ASN 100 1HD2
17 A ASN 100 2HD2
17 A ASN 120 1HD2
17 A ASN 120 2HD2
18 A GLN 25 1HE2
18 A GLN 25 2HE2
18 A ASN 45 1HD2
18 A ASN 45 2HD2
18 A ASN 46 1HD2
18 A ASN 46 2HD2
18 A ASN 52 1HD2
18 A ASN 52 2HD2
18 A ASN 53 1HD2
18 A ASN 53 2HD2
18 A ASN 56 1HD2
18 A ASN 56 2HD2
18 A ASN 64 1HD2
18 A ASN 64 2HD2
18 A ASN 75 1HD2
18 A ASN 75 2HD2
18 A ASN 76 1HD2
18 A ASN 76 2HD2
18 A ASN 100 1HD2
18 A ASN 100 2HD2
18 A ASN 120 1HD2
18 A ASN 120 2HD2
19 A GLN 25 1HE2
19 A GLN 25 2HE2
19 A ASN 45 1HD2
19 A ASN 45 2HD2
19 A ASN 46 1HD2
19 A ASN 46 2HD2
19 A ASN 52 1HD2
19 A ASN 52 2HD2
19 A ASN 53 1HD2
19 A ASN 53 2HD2
19 A ASN 56 1HD2
19 A ASN 56 2HD2
19 A ASN 64 1HD2
19 A ASN 64 2HD2
19 A ASN 75 1HD2
19 A ASN 75 2HD2
19 A ASN 76 1HD2
19 A ASN 76 2HD2
19 A ASN 100 1HD2
19 A ASN 100 2HD2
19 A ASN 120 1HD2
19 A ASN 120 2HD2
20 A GLN 25 1HE2
20 A GLN 25 2HE2
20 A ASN 45 1HD2
20 A ASN 45 2HD2
20 A ASN 46 1HD2
20 A ASN 46 2HD2
20 A ASN 52 1HD2
20 A ASN 52 2HD2
20 A ASN 53 1HD2
20 A ASN 53 2HD2
20 A ASN 56 1HD2
20 A ASN 56 2HD2
20 A ASN 64 1HD2
20 A ASN 64 2HD2
20 A ASN 75 1HD2
20 A ASN 75 2HD2
20 A ASN 76 1HD2
20 A ASN 76 2HD2
20 A ASN 100 1HD2
20 A ASN 100 2HD2
20 A ASN 120 1HD2
20 A ASN 120 2HD2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 8) HE2
GLU( 1 A 12) HE2
GLU( 1 A 13) HE2
GLU( 1 A 15) HE2
GLU( 1 A 16) HE2
ASP( 1 A 22) HD2
GLU( 1 A 28) HE2
GLU( 1 A 35) HE2
GLU( 1 A 36) HE2
GLU( 1 A 44) HE2
GLU( 1 A 49) HE2
GLU( 1 A 63) HE2
GLU( 1 A 78) HE2
HIS( 1 A 90) HD1
GLU( 1 A 92) HE2
HIS( 1 A 95) HD1
GLU( 1 A 96) HE2
GLU( 1 A 101) HE2
GLU( 1 A 103) HE2
GLU( 1 A 109) HE2
ASP( 1 A 110) HD2
GLU( 1 A 123) HE2
HIS( 1 A 124) HE2
HIS( 1 A 125) HD1
HIS( 1 A 126) HE2
HIS( 1 A 127) HE2
HIS( 1 A 128) HD1
HIS( 1 A 129) HE2
GLU( 2 A 8) HE2
GLU( 2 A 12) HE2
GLU( 2 A 13) HE2
GLU( 2 A 15) HE2
GLU( 2 A 16) HE2
ASP( 2 A 22) HD2
GLU( 2 A 28) HE2
GLU( 2 A 35) HE2
GLU( 2 A 36) HE2
GLU( 2 A 44) HE2
GLU( 2 A 49) HE2
GLU( 2 A 63) HE2
GLU( 2 A 78) HE2
HIS( 2 A 90) HD1
GLU( 2 A 92) HE2
HIS( 2 A 95) HD1
GLU( 2 A 96) HE2
GLU( 2 A 101) HE2
GLU( 2 A 103) HE2
GLU( 2 A 109) HE2
ASP( 2 A 110) HD2
GLU( 2 A 123) HE2
HIS( 2 A 124) HE2
HIS( 2 A 125) HD1
HIS( 2 A 126) HD1
HIS( 2 A 127) HD1
HIS( 2 A 128) HD1
HIS( 2 A 129) HE2
GLU( 3 A 8) HE2
GLU( 3 A 12) HE2
GLU( 3 A 13) HE2
GLU( 3 A 15) HE2
GLU( 3 A 16) HE2
ASP( 3 A 22) HD2
GLU( 3 A 28) HE2
GLU( 3 A 35) HE2
GLU( 3 A 36) HE2
GLU( 3 A 44) HE2
GLU( 3 A 49) HE2
GLU( 3 A 63) HE2
GLU( 3 A 78) HE2
HIS( 3 A 90) HD1
GLU( 3 A 92) HE2
HIS( 3 A 95) HD1
GLU( 3 A 96) HE2
GLU( 3 A 101) HE2
GLU( 3 A 103) HE2
GLU( 3 A 109) HE2
ASP( 3 A 110) HD2
GLU( 3 A 123) HE2
HIS( 3 A 124) HD1
HIS( 3 A 125) HE2
HIS( 3 A 126) HE2
HIS( 3 A 127) HE2
HIS( 3 A 128) HE2
HIS( 3 A 129) HE2
GLU( 4 A 8) HE2
GLU( 4 A 12) HE2
GLU( 4 A 13) HE2
GLU( 4 A 15) HE2
GLU( 4 A 16) HE2
ASP( 4 A 22) HD2
GLU( 4 A 28) HE2
GLU( 4 A 35) HE2
GLU( 4 A 36) HE2
GLU( 4 A 44) HE2
GLU( 4 A 49) HE2
GLU( 4 A 63) HE2
GLU( 4 A 78) HE2
HIS( 4 A 90) HD1
GLU( 4 A 92) HE2
HIS( 4 A 95) HD1
GLU( 4 A 96) HE2
GLU( 4 A 101) HE2
GLU( 4 A 103) HE2
GLU( 4 A 109) HE2
ASP( 4 A 110) HD2
GLU( 4 A 123) HE2
HIS( 4 A 124) HE2
HIS( 4 A 125) HE2
HIS( 4 A 126) HD1
HIS( 4 A 127) HD1
HIS( 4 A 128) HE2
HIS( 4 A 129) HE2
GLU( 5 A 8) HE2
GLU( 5 A 12) HE2
GLU( 5 A 13) HE2
GLU( 5 A 15) HE2
GLU( 5 A 16) HE2
ASP( 5 A 22) HD2
GLU( 5 A 28) HE2
GLU( 5 A 35) HE2
GLU( 5 A 36) HE2
GLU( 5 A 44) HE2
GLU( 5 A 49) HE2
GLU( 5 A 63) HE2
GLU( 5 A 78) HE2
HIS( 5 A 90) HD1
GLU( 5 A 92) HE2
HIS( 5 A 95) HD1
GLU( 5 A 96) HE2
GLU( 5 A 101) HE2
GLU( 5 A 103) HE2
GLU( 5 A 109) HE2
ASP( 5 A 110) HD2
GLU( 5 A 123) HE2
HIS( 5 A 124) HE2
HIS( 5 A 125) HE2
HIS( 5 A 126) HD1
HIS( 5 A 127) HD1
HIS( 5 A 128) HD1
HIS( 5 A 129) HD1
GLU( 6 A 8) HE2
GLU( 6 A 12) HE2
GLU( 6 A 13) HE2
GLU( 6 A 15) HE2
GLU( 6 A 16) HE2
ASP( 6 A 22) HD2
GLU( 6 A 28) HE2
GLU( 6 A 35) HE2
GLU( 6 A 36) HE2
GLU( 6 A 44) HE2
GLU( 6 A 49) HE2
GLU( 6 A 63) HE2
GLU( 6 A 78) HE2
HIS( 6 A 90) HD1
GLU( 6 A 92) HE2
HIS( 6 A 95) HD1
GLU( 6 A 96) HE2
GLU( 6 A 101) HE2
GLU( 6 A 103) HE2
GLU( 6 A 109) HE2
ASP( 6 A 110) HD2
GLU( 6 A 123) HE2
HIS( 6 A 124) HD1
HIS( 6 A 125) HE2
HIS( 6 A 126) HE2
HIS( 6 A 127) HE2
HIS( 6 A 128) HD1
HIS( 6 A 129) HE2
GLU( 7 A 8) HE2
GLU( 7 A 12) HE2
GLU( 7 A 13) HE2
GLU( 7 A 15) HE2
GLU( 7 A 16) HE2
ASP( 7 A 22) HD2
GLU( 7 A 28) HE2
GLU( 7 A 35) HE2
GLU( 7 A 36) HE2
GLU( 7 A 44) HE2
GLU( 7 A 49) HE2
GLU( 7 A 63) HE2
GLU( 7 A 78) HE2
HIS( 7 A 90) HD1
GLU( 7 A 92) HE2
HIS( 7 A 95) HD1
GLU( 7 A 96) HE2
GLU( 7 A 101) HE2
GLU( 7 A 103) HE2
GLU( 7 A 109) HE2
ASP( 7 A 110) HD2
GLU( 7 A 123) HE2
HIS( 7 A 124) HD1
HIS( 7 A 125) HE2
HIS( 7 A 126) HD1
HIS( 7 A 127) HD1
HIS( 7 A 128) HE2
HIS( 7 A 129) HE2
GLU( 8 A 8) HE2
GLU( 8 A 12) HE2
GLU( 8 A 13) HE2
GLU( 8 A 15) HE2
GLU( 8 A 16) HE2
ASP( 8 A 22) HD2
GLU( 8 A 28) HE2
GLU( 8 A 35) HE2
GLU( 8 A 36) HE2
GLU( 8 A 44) HE2
GLU( 8 A 49) HE2
GLU( 8 A 63) HE2
GLU( 8 A 78) HE2
HIS( 8 A 90) HD1
GLU( 8 A 92) HE2
HIS( 8 A 95) HD1
GLU( 8 A 96) HE2
GLU( 8 A 101) HE2
GLU( 8 A 103) HE2
GLU( 8 A 109) HE2
ASP( 8 A 110) HD2
GLU( 8 A 123) HE2
HIS( 8 A 124) HE2
HIS( 8 A 125) HD1
HIS( 8 A 126) HE2
HIS( 8 A 127) HD1
HIS( 8 A 128) HE2
HIS( 8 A 129) HD1
GLU( 9 A 8) HE2
GLU( 9 A 12) HE2
GLU( 9 A 13) HE2
GLU( 9 A 15) HE2
GLU( 9 A 16) HE2
ASP( 9 A 22) HD2
GLU( 9 A 28) HE2
GLU( 9 A 35) HE2
GLU( 9 A 36) HE2
GLU( 9 A 44) HE2
GLU( 9 A 49) HE2
GLU( 9 A 63) HE2
GLU( 9 A 78) HE2
HIS( 9 A 90) HD1
GLU( 9 A 92) HE2
HIS( 9 A 95) HD1
GLU( 9 A 96) HE2
GLU( 9 A 101) HE2
GLU( 9 A 103) HE2
GLU( 9 A 109) HE2
ASP( 9 A 110) HD2
GLU( 9 A 123) HE2
HIS( 9 A 124) HD1
HIS( 9 A 125) HE2
HIS( 9 A 126) HE2
HIS( 9 A 127) HD1
HIS( 9 A 128) HE2
HIS( 9 A 129) HE2
GLU( 10 A 8) HE2
GLU( 10 A 12) HE2
GLU( 10 A 13) HE2
GLU( 10 A 15) HE2
GLU( 10 A 16) HE2
ASP( 10 A 22) HD2
GLU( 10 A 28) HE2
GLU( 10 A 35) HE2
GLU( 10 A 36) HE2
GLU( 10 A 44) HE2
GLU( 10 A 49) HE2
GLU( 10 A 63) HE2
GLU( 10 A 78) HE2
HIS( 10 A 90) HD1
GLU( 10 A 92) HE2
HIS( 10 A 95) HD1
GLU( 10 A 96) HE2
GLU( 10 A 101) HE2
GLU( 10 A 103) HE2
GLU( 10 A 109) HE2
ASP( 10 A 110) HD2
GLU( 10 A 123) HE2
HIS( 10 A 124) HD1
HIS( 10 A 125) HD1
HIS( 10 A 126) HE2
HIS( 10 A 127) HD1
HIS( 10 A 128) HE2
HIS( 10 A 129) HE2
GLU( 11 A 8) HE2
GLU( 11 A 12) HE2
GLU( 11 A 13) HE2
GLU( 11 A 15) HE2
GLU( 11 A 16) HE2
ASP( 11 A 22) HD2
GLU( 11 A 28) HE2
GLU( 11 A 35) HE2
GLU( 11 A 36) HE2
GLU( 11 A 44) HE2
GLU( 11 A 49) HE2
GLU( 11 A 63) HE2
GLU( 11 A 78) HE2
HIS( 11 A 90) HD1
GLU( 11 A 92) HE2
HIS( 11 A 95) HD1
GLU( 11 A 96) HE2
GLU( 11 A 101) HE2
GLU( 11 A 103) HE2
GLU( 11 A 109) HE2
ASP( 11 A 110) HD2
GLU( 11 A 123) HE2
HIS( 11 A 124) HD1
HIS( 11 A 125) HE2
HIS( 11 A 126) HE2
HIS( 11 A 127) HE2
HIS( 11 A 128) HD1
HIS( 11 A 129) HE2
GLU( 12 A 8) HE2
GLU( 12 A 12) HE2
GLU( 12 A 13) HE2
GLU( 12 A 15) HE2
GLU( 12 A 16) HE2
ASP( 12 A 22) HD2
GLU( 12 A 28) HE2
GLU( 12 A 35) HE2
GLU( 12 A 36) HE2
GLU( 12 A 44) HE2
GLU( 12 A 49) HE2
GLU( 12 A 63) HE2
GLU( 12 A 78) HE2
HIS( 12 A 90) HD1
GLU( 12 A 92) HE2
HIS( 12 A 95) HD1
GLU( 12 A 96) HE2
GLU( 12 A 101) HE2
GLU( 12 A 103) HE2
GLU( 12 A 109) HE2
ASP( 12 A 110) HD2
GLU( 12 A 123) HE2
HIS( 12 A 124) HD1
HIS( 12 A 125) HE2
HIS( 12 A 126) HD1
HIS( 12 A 127) HD1
HIS( 12 A 128) HD1
HIS( 12 A 129) HD1
GLU( 13 A 8) HE2
GLU( 13 A 12) HE2
GLU( 13 A 13) HE2
GLU( 13 A 15) HE2
GLU( 13 A 16) HE2
ASP( 13 A 22) HD2
GLU( 13 A 28) HE2
GLU( 13 A 35) HE2
GLU( 13 A 36) HE2
GLU( 13 A 44) HE2
GLU( 13 A 49) HE2
GLU( 13 A 63) HE2
GLU( 13 A 78) HE2
HIS( 13 A 90) HD1
GLU( 13 A 92) HE2
HIS( 13 A 95) HD1
GLU( 13 A 96) HE2
GLU( 13 A 101) HE2
GLU( 13 A 103) HE2
GLU( 13 A 109) HE2
ASP( 13 A 110) HD2
GLU( 13 A 123) HE2
HIS( 13 A 124) HD1
HIS( 13 A 125) HE2
HIS( 13 A 126) HE2
HIS( 13 A 127) HD1
HIS( 13 A 128) HD1
HIS( 13 A 129) HD1
GLU( 14 A 8) HE2
GLU( 14 A 12) HE2
GLU( 14 A 13) HE2
GLU( 14 A 15) HE2
GLU( 14 A 16) HE2
ASP( 14 A 22) HD2
GLU( 14 A 28) HE2
GLU( 14 A 35) HE2
GLU( 14 A 36) HE2
GLU( 14 A 44) HE2
GLU( 14 A 49) HE2
GLU( 14 A 63) HE2
GLU( 14 A 78) HE2
HIS( 14 A 90) HD1
GLU( 14 A 92) HE2
HIS( 14 A 95) HD1
GLU( 14 A 96) HE2
GLU( 14 A 101) HE2
GLU( 14 A 103) HE2
GLU( 14 A 109) HE2
ASP( 14 A 110) HD2
GLU( 14 A 123) HE2
HIS( 14 A 124) HE2
HIS( 14 A 125) HE2
HIS( 14 A 126) HD1
HIS( 14 A 127) HE2
HIS( 14 A 128) HD1
HIS( 14 A 129) HE2
GLU( 15 A 8) HE2
GLU( 15 A 12) HE2
GLU( 15 A 13) HE2
GLU( 15 A 15) HE2
GLU( 15 A 16) HE2
ASP( 15 A 22) HD2
GLU( 15 A 28) HE2
GLU( 15 A 35) HE2
GLU( 15 A 36) HE2
GLU( 15 A 44) HE2
GLU( 15 A 49) HE2
GLU( 15 A 63) HE2
GLU( 15 A 78) HE2
HIS( 15 A 90) HD1
GLU( 15 A 92) HE2
HIS( 15 A 95) HD1
GLU( 15 A 96) HE2
GLU( 15 A 101) HE2
GLU( 15 A 103) HE2
GLU( 15 A 109) HE2
ASP( 15 A 110) HD2
GLU( 15 A 123) HE2
HIS( 15 A 124) HD1
HIS( 15 A 125) HE2
HIS( 15 A 126) HD1
HIS( 15 A 127) HD1
HIS( 15 A 128) HE2
HIS( 15 A 129) HE2
GLU( 16 A 8) HE2
GLU( 16 A 12) HE2
GLU( 16 A 13) HE2
GLU( 16 A 15) HE2
GLU( 16 A 16) HE2
ASP( 16 A 22) HD2
GLU( 16 A 28) HE2
GLU( 16 A 35) HE2
GLU( 16 A 36) HE2
GLU( 16 A 44) HE2
GLU( 16 A 49) HE2
GLU( 16 A 63) HE2
GLU( 16 A 78) HE2
HIS( 16 A 90) HD1
GLU( 16 A 92) HE2
HIS( 16 A 95) HD1
GLU( 16 A 96) HE2
GLU( 16 A 101) HE2
GLU( 16 A 103) HE2
GLU( 16 A 109) HE2
ASP( 16 A 110) HD2
GLU( 16 A 123) HE2
HIS( 16 A 124) HD1
HIS( 16 A 125) HD1
HIS( 16 A 126) HD1
HIS( 16 A 127) HE2
HIS( 16 A 128) HE2
HIS( 16 A 129) HD1
GLU( 17 A 8) HE2
GLU( 17 A 12) HE2
GLU( 17 A 13) HE2
GLU( 17 A 15) HE2
GLU( 17 A 16) HE2
ASP( 17 A 22) HD2
GLU( 17 A 28) HE2
GLU( 17 A 35) HE2
GLU( 17 A 36) HE2
GLU( 17 A 44) HE2
GLU( 17 A 49) HE2
GLU( 17 A 63) HE2
GLU( 17 A 78) HE2
HIS( 17 A 90) HD1
GLU( 17 A 92) HE2
HIS( 17 A 95) HD1
GLU( 17 A 96) HE2
GLU( 17 A 101) HE2
GLU( 17 A 103) HE2
GLU( 17 A 109) HE2
ASP( 17 A 110) HD2
GLU( 17 A 123) HE2
HIS( 17 A 124) HD1
HIS( 17 A 125) HE2
HIS( 17 A 126) HD1
HIS( 17 A 127) HE2
HIS( 17 A 128) HD1
HIS( 17 A 129) HD1
GLU( 18 A 8) HE2
GLU( 18 A 12) HE2
GLU( 18 A 13) HE2
GLU( 18 A 15) HE2
GLU( 18 A 16) HE2
ASP( 18 A 22) HD2
GLU( 18 A 28) HE2
GLU( 18 A 35) HE2
GLU( 18 A 36) HE2
GLU( 18 A 44) HE2
GLU( 18 A 49) HE2
GLU( 18 A 63) HE2
GLU( 18 A 78) HE2
HIS( 18 A 90) HD1
GLU( 18 A 92) HE2
HIS( 18 A 95) HD1
GLU( 18 A 96) HE2
GLU( 18 A 101) HE2
GLU( 18 A 103) HE2
GLU( 18 A 109) HE2
ASP( 18 A 110) HD2
GLU( 18 A 123) HE2
HIS( 18 A 124) HD1
HIS( 18 A 125) HE2
HIS( 18 A 126) HD1
HIS( 18 A 127) HE2
HIS( 18 A 128) HE2
HIS( 18 A 129) HE2
GLU( 19 A 8) HE2
GLU( 19 A 12) HE2
GLU( 19 A 13) HE2
GLU( 19 A 15) HE2
GLU( 19 A 16) HE2
ASP( 19 A 22) HD2
GLU( 19 A 28) HE2
GLU( 19 A 35) HE2
GLU( 19 A 36) HE2
GLU( 19 A 44) HE2
GLU( 19 A 49) HE2
GLU( 19 A 63) HE2
GLU( 19 A 78) HE2
HIS( 19 A 90) HD1
GLU( 19 A 92) HE2
HIS( 19 A 95) HD1
GLU( 19 A 96) HE2
GLU( 19 A 101) HE2
GLU( 19 A 103) HE2
GLU( 19 A 109) HE2
ASP( 19 A 110) HD2
GLU( 19 A 123) HE2
HIS( 19 A 124) HD1
HIS( 19 A 125) HE2
HIS( 19 A 126) HD1
HIS( 19 A 127) HD1
HIS( 19 A 128) HE2
HIS( 19 A 129) HE2
GLU( 20 A 8) HE2
GLU( 20 A 12) HE2
GLU( 20 A 13) HE2
GLU( 20 A 15) HE2
GLU( 20 A 16) HE2
ASP( 20 A 22) HD2
GLU( 20 A 28) HE2
GLU( 20 A 35) HE2
GLU( 20 A 36) HE2
GLU( 20 A 44) HE2
GLU( 20 A 49) HE2
GLU( 20 A 63) HE2
GLU( 20 A 78) HE2
HIS( 20 A 90) HD1
GLU( 20 A 92) HE2
HIS( 20 A 95) HD1
GLU( 20 A 96) HE2
GLU( 20 A 101) HE2
GLU( 20 A 103) HE2
GLU( 20 A 109) HE2
ASP( 20 A 110) HD2
GLU( 20 A 123) HE2
HIS( 20 A 124) HD1
HIS( 20 A 125) HE2
HIS( 20 A 126) HD1
HIS( 20 A 127) HD1
HIS( 20 A 128) HE2
HIS( 20 A 129) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 129) O2
HIS( 2 A 129) O2
HIS( 3 A 129) O2
HIS( 4 A 129) O2
HIS( 5 A 129) O2
HIS( 6 A 129) O2
HIS( 7 A 129) O2
HIS( 8 A 129) O2
HIS( 9 A 129) O2
HIS( 10 A 129) O2
HIS( 11 A 129) O2
HIS( 12 A 129) O2
HIS( 13 A 129) O2
HIS( 14 A 129) O2
HIS( 15 A 129) O2
HIS( 16 A 129) O2
HIS( 17 A 129) O2
HIS( 18 A 129) O2
HIS( 19 A 129) O2
HIS( 20 A 129) O2
SSR10_R3Cons_em_bcr3.pdb: Missing KEYWDS records
SSR10_R3Cons_em_bcr3.pdb: Missing TITLE record