Detailed results of OR8C_R3Cons_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 2261
# INTRA-RESIDUE RESTRAINTS (I=J) : 615
# SEQUENTIAL RESTRAINTS (I-J)=1 : 620
# BACKBONE-BACKBONE : 134
# BACKBONE-SIDE CHAIN : 81
# SIDE CHAIN-SIDE CHAIN : 405
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 297
# BACKBONE-BACKBONE : 59
# BACKBONE-SIDE CHAIN : 51
# SIDE CHAIN-SIDE CHAIN : 187
# LONG RANGE RESTRAINTS (I-J)>=5 : 729
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 2261
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 1 0.0 0.0 0.0 0.0 0.0
PRO 2 0 2.0 0.0 0.0 2.0 0.0
ALA 3 0 2.0 1.5 0.0 0.5 0.0
SER 4 0 6.5 2.5 0.0 4.0 0.0
ARG 5 11 13.5 5.0 1.5 7.0 0.0
TYR 6 3 13.5 7.0 1.0 5.5 0.0
ILE 7 9 21.0 6.5 2.0 12.5 0.0
THR 8 2 12.0 5.0 2.5 4.5 0.0
ASP 9 0 9.0 4.5 0.5 4.0 0.0
MET 10 4 21.0 4.0 2.0 15.0 0.0
THR 11 2 7.5 3.5 4.0 0.0 0.0
ILE 12 15 11.5 5.5 6.0 0.0 0.0
GLU 13 6 7.5 6.0 1.5 0.0 0.0
GLU 14 4 10.0 5.0 3.5 1.5 0.0
LEU 15 9 15.5 5.0 4.5 6.0 0.0
SER 16 3 8.0 5.5 2.5 0.0 0.0
ARG 17 12 13.0 7.0 1.5 4.5 0.0
ASP 18 1 7.5 7.0 0.0 0.5 0.0
TRP 19 2 13.5 5.5 2.0 6.0 0.0
PHE 20 2 7.5 6.0 1.5 0.0 0.0
MET 21 6 9.0 3.0 3.0 3.0 0.0
LEU 22 10 12.5 8.0 1.5 3.0 0.0
MET 23 5 21.5 9.5 0.0 12.0 0.0
PRO 24 0 4.0 2.5 1.5 0.0 0.0
LYS 25 10 15.0 4.5 1.5 9.0 0.0
GLN 26 8 10.0 6.5 3.5 0.0 0.0
LYS 27 11 16.0 6.0 2.0 8.0 0.0
VAL 28 4 12.5 4.5 4.5 3.5 0.0
GLU 29 2 14.0 4.0 2.0 8.0 0.0
GLY 30 0 4.0 3.5 0.5 0.0 0.0
PRO 31 0 7.0 1.0 0.0 6.0 0.0
LEU 32 9 15.5 2.0 1.0 12.5 0.0
CYS 33 1 13.5 6.0 0.5 7.0 0.0
ILE 34 9 19.5 5.0 0.0 14.5 0.0
ARG 35 4 8.5 3.0 0.0 5.5 0.0
ILE 36 7 19.5 5.0 3.0 11.5 0.0
ASP 37 0 10.5 4.5 3.0 3.0 0.0
GLN 38 4 19.5 4.5 3.0 12.0 0.0
ALA 39 1 16.0 6.0 0.5 9.5 0.0
ILE 40 10 20.0 6.5 7.5 6.0 0.0
MET 41 7 15.5 7.0 1.5 7.0 0.0
ASP 42 1 9.5 6.0 0.0 3.5 0.0
LYS 43 10 14.0 6.0 6.5 1.5 0.0
ASN 44 7 14.5 7.5 0.0 7.0 0.0
ILE 45 9 27.5 9.0 1.5 17.0 0.0
MET 46 9 18.0 9.5 2.5 6.0 0.0
LEU 47 8 12.5 6.0 0.5 6.0 0.0
LYS 48 4 11.5 3.5 2.5 5.5 0.0
ALA 49 0 15.0 3.0 0.5 11.5 0.0
ASN 50 0 22.0 4.5 0.0 17.5 0.0
PHE 51 2 29.0 5.0 2.0 22.0 0.0
SER 52 0 12.0 4.5 0.0 7.5 0.0
VAL 53 5 26.0 6.0 5.0 15.0 0.0
ILE 54 9 31.0 13.0 3.5 14.5 0.0
PHE 55 3 14.5 12.5 2.0 0.0 0.0
ASP 56 0 7.5 4.5 3.0 0.0 0.0
ARG 57 12 18.5 4.5 5.5 8.5 0.0
LEU 58 5 25.5 5.0 3.5 17.0 0.0
GLU 59 5 15.5 6.0 0.0 9.5 0.0
THR 60 3 8.0 3.5 2.5 2.0 0.0
LEU 61 8 12.0 1.0 5.5 5.5 0.0
ILE 62 11 17.5 3.5 0.5 13.5 0.0
LEU 63 7 21.5 4.5 3.5 13.5 0.0
LEU 64 9 19.0 4.5 2.5 12.0 0.0
ARG 65 2 14.5 4.5 3.5 6.5 0.0
ALA 66 0 9.0 4.0 0.5 4.5 0.0
PHE 67 2 18.0 5.0 2.0 11.0 0.0
THR 68 2 18.5 5.0 4.0 9.5 0.0
GLU 69 5 9.5 4.5 0.5 4.5 0.0
GLU 70 7 7.0 4.0 3.0 0.0 0.0
GLY 71 0 4.5 2.5 2.0 0.0 0.0
ALA 72 1 7.0 1.0 5.0 1.0 0.0
ILE 73 2 16.0 1.5 1.0 13.5 0.0
VAL 74 4 14.0 3.5 1.0 9.5 0.0
GLY 75 0 8.0 2.5 1.0 4.5 0.0
GLU 76 2 15.5 2.5 2.0 11.0 0.0
ILE 77 9 16.0 3.5 0.0 12.5 0.0
SER 78 0 9.0 3.0 2.0 4.0 0.0
PRO 79 0 8.0 2.0 0.0 6.0 0.0
LEU 80 10 12.5 3.0 2.5 7.0 0.0
PRO 81 0 3.0 3.0 0.0 0.0 0.0
SER 82 0 2.5 2.5 0.0 0.0 0.0
PHE 83 2 12.5 5.5 3.5 3.5 0.0
PRO 84 0 7.5 7.5 0.0 0.0 0.0
GLY 85 0 6.0 5.0 1.0 0.0 0.0
HIS 86 0 6.5 1.5 0.0 5.0 0.0
THR 87 2 8.5 2.5 6.0 0.0 0.0
ILE 88 10 23.0 5.5 3.0 14.5 0.0
GLU 89 6 11.0 7.0 4.0 0.0 0.0
ASP 90 1 11.5 5.5 4.5 1.5 0.0
VAL 91 5 16.5 5.0 6.5 5.0 0.0
LYS 92 13 12.5 7.0 4.0 1.5 0.0
ASN 93 8 11.0 7.0 2.0 2.0 0.0
ALA 94 1 19.0 5.5 6.0 7.5 0.0
ILE 95 15 20.5 6.5 8.0 6.0 0.0
GLY 96 0 12.5 5.0 3.5 4.0 0.0
VAL 97 5 17.0 3.5 4.0 9.5 0.0
LEU 98 11 17.0 6.0 4.5 6.5 0.0
ILE 99 12 20.0 6.5 9.0 4.5 0.0
GLY 100 0 5.0 3.5 1.5 0.0 0.0
GLY 101 0 4.0 0.5 1.0 2.5 0.0
LEU 102 10 18.0 1.5 5.5 11.0 0.0
GLU 103 9 10.5 3.0 6.0 1.5 0.0
ARG 104 14 7.5 5.0 2.5 0.0 0.0
ASN 105 3 21.0 6.0 5.5 9.5 0.0
ASP 106 2 8.0 4.0 1.5 2.5 0.0
ASN 107 4 22.5 4.0 5.0 13.5 0.0
THR 108 3 11.5 6.0 0.0 5.5 0.0
VAL 109 5 13.0 6.5 0.5 6.0 0.0
ARG 110 6 9.0 6.5 0.0 2.5 0.0
VAL 111 5 21.5 6.0 2.0 13.5 0.0
SER 112 1 9.0 4.0 1.5 3.5 0.0
LYS 113 19 5.5 5.0 0.0 0.5 0.0
THR 114 2 18.0 6.0 7.5 4.5 0.0
LEU 115 10 20.0 5.0 6.5 8.5 0.0
GLN 116 10 16.0 4.5 5.5 6.0 0.0
ARG 117 12 10.5 8.0 2.5 0.0 0.0
PHE 118 4 26.0 8.0 6.0 12.0 0.0
ALA 119 0 12.5 4.0 2.5 6.0 0.0
TRP 120 8 20.5 3.0 4.0 13.5 0.0
GLY 121 0 2.0 1.0 1.0 0.0 0.0
SER 122 0 1.5 1.5 0.0 0.0 0.0
SER 123 0 3.0 3.0 0.0 0.0 0.0
ASN 124 1 1.5 1.5 0.0 0.0 0.0
GLU 125 0 0.0 0.0 0.0 0.0 0.0
ASN 126 0 0.5 0.5 0.0 0.0 0.0
GLY 127 0 1.5 1.5 0.0 0.0 0.0
ARG 128 8 3.5 3.5 0.0 0.0 0.0
PRO 129 0 5.0 5.0 0.0 0.0 0.0
PRO 130 0 5.0 5.0 0.0 0.0 0.0
LEU 131 8 5.5 5.5 0.0 0.0 0.0
THR 132 2 6.5 6.5 0.0 0.0 0.0
LEU 133 5 6.0 6.0 0.0 0.0 0.0
GLU 134 6 2.5 2.5 0.0 0.0 0.0
# TOTAL 615 1646.0 620.0 297.0 729.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 2261.0
List of conformationally-resticting NOE constraints
assign ((resid 11 and name HN )) ( (resid 15 and name HN )) 4.83 3.03 0.48
assign ((resid 6 and name HD* )) ( (resid 7 and name HN )) 4.35 2.55 0.44
assign ((resid 7 and name HN )) ( (resid 8 and name HN )) 4.52 2.72 0.45
assign ((resid 7 and name HN )) ( (resid 52 and name HA )) 4.08 2.28 0.41
assign ((resid 83 and name HB1 )) ( (resid 85 and name HN )) 4.19 2.39 0.42
assign ((resid 83 and name HB2 )) ( (resid 85 and name HN )) 4.79 2.99 0.48
assign ((resid 73 and name HA )) ( (resid 75 and name HN )) 4.33 2.53 0.43
assign ((resid 17 and name HG1 )) ( (resid 18 and name HN )) 4.07 2.27 0.41
assign ((resid 17 and name HB1 )) ( (resid 18 and name HN )) 4.24 2.44 0.42
assign ((resid 18 and name HN )) ( (resid 19 and name HN )) 4.61 2.81 0.46
assign ((resid 26 and name HB* )) ( (resid 26 and name HE22 )) 4.45 2.65 0.44
assign ((resid 26 and name HB* )) ( (resid 26 and name HE21 )) 4.45 2.65 0.44
assign ((resid 26 and name HE21 )) ( (resid 28 and name HG2* )) 4.23 2.43 0.42
assign ((resid 26 and name HE22 )) ( (resid 28 and name HG2* )) 4.23 2.43 0.42
assign ((resid 44 and name HA )) ( (resid 44 and name HD21 )) 4.71 2.91 0.47
assign ((resid 10 and name HB* )) ( (resid 50 and name HD21 )) 5.38 3.58 0.54
assign ((resid 50 and name HD21 )) ( (resid 62 and name HB )) 5.42 3.62 0.54
assign ((resid 38 and name HA )) ( (resid 105 and name HD22 )) 4.55 2.75 0.46
assign ((resid 38 and name HA )) ( (resid 105 and name HD21 )) 4.55 2.75 0.46
assign ((resid 38 and name HG2 )) ( (resid 105 and name HD22 )) 5.50 3.70 0.55
assign ((resid 41 and name HE* )) ( (resid 105 and name HD22 )) 4.47 2.67 0.45
assign ((resid 38 and name HG2 )) ( (resid 105 and name HD21 )) 5.50 3.70 0.55
assign ((resid 65 and name HB2 )) ( (resid 65 and name HE )) 4.81 3.01 0.48
assign ((resid 14 and name HB* )) ( (resid 65 and name HE )) 4.53 2.73 0.45
assign ((resid 63 and name HG )) ( (resid 65 and name HE )) 5.12 3.32 0.51
assign ((resid 63 and name HD1* )) ( (resid 65 and name HE )) 5.08 3.28 0.51
assign ((resid 65 and name HB1 )) ( (resid 65 and name HE )) 4.81 3.01 0.48
assign ((resid 107 and name HN )) ( (resid 107 and name HD21 )) 4.64 2.84 0.46
assign ((resid 111 and name HB )) ( (resid 116 and name HE22 )) 4.80 3.00 0.48
assign ((resid 116 and name HN )) ( (resid 116 and name HE22 )) 5.50 3.70 0.55
assign ((resid 111 and name HN )) ( (resid 116 and name HE21 )) 4.47 2.67 0.45
assign ((resid 80 and name HN )) ( (resid 80 and name HG )) 4.60 2.80 0.46
assign ((resid 19 and name HB2 )) ( (resid 20 and name HN )) 4.11 2.31 0.41
assign ((resid 19 and name HE3 )) ( (resid 20 and name HN )) 4.52 2.72 0.45
assign ((resid 100 and name HA* )) ( (resid 103 and name HN )) 4.20 2.40 0.42
assign ((resid 111 and name HG2* )) ( (resid 120 and name HE1 )) 3.95 2.15 0.40
assign ((resid 99 and name HD1* )) ( (resid 120 and name HE1 )) 4.08 2.28 0.41
assign ((resid 19 and name HE1 )) ( (resid 65 and name HE )) 5.50 3.70 0.55
assign ((resid 55 and name HB2 )) ( (resid 56 and name HN )) 4.71 2.91 0.47
assign ((resid 55 and name HB1 )) ( (resid 56 and name HN )) 4.71 2.91 0.47
assign ((resid 55 and name HD* )) ( (resid 56 and name HN )) 4.87 3.07 0.49
assign ((resid 67 and name HA )) ( (resid 72 and name HN )) 4.91 3.11 0.49
assign ((resid 68 and name HB )) ( (resid 72 and name HN )) 4.73 2.93 0.47
assign ((resid 70 and name HB2 )) ( (resid 72 and name HN )) 4.52 2.72 0.45
assign ((resid 70 and name HB1 )) ( (resid 72 and name HN )) 4.52 2.72 0.45
assign ((resid 72 and name HN )) ( (resid 74 and name HG1* )) 5.05 3.25 0.51
assign ((resid 68 and name HN )) ( (resid 72 and name HN )) 3.89 2.09 0.39
assign ((resid 54 and name HA )) ( (resid 57 and name HN )) 4.94 3.14 0.49
assign ((resid 55 and name HA )) ( (resid 57 and name HN )) 5.42 3.62 0.54
assign ((resid 47 and name HN )) ( (resid 112 and name HN )) 4.48 2.68 0.45
assign ((resid 112 and name HN )) ( (resid 113 and name HN )) 4.85 3.05 0.48
assign ((resid 111 and name HB )) ( (resid 112 and name HN )) 3.79 1.99 0.38
assign ((resid 111 and name HG1* )) ( (resid 112 and name HN )) 3.76 1.96 0.38
assign ((resid 112 and name HN )) ( (resid 115 and name HD1* )) 3.70 1.90 0.37
assign ((resid 87 and name HA )) ( (resid 89 and name HN )) 4.61 2.81 0.46
assign ((resid 87 and name HB )) ( (resid 89 and name HN )) 3.70 1.90 0.37
assign ((resid 48 and name HA )) ( (resid 112 and name HN )) 5.18 3.38 0.52
assign ((resid 48 and name HN )) ( (resid 65 and name HN )) 4.46 2.66 0.45
assign ((resid 34 and name HG2* )) ( (resid 35 and name HN )) 3.51 1.71 0.35
assign ((resid 50 and name HN )) ( (resid 65 and name HN )) 5.50 3.70 0.55
assign ((resid 10 and name HE* )) ( (resid 65 and name HN )) 3.67 1.87 0.37
assign ((resid 49 and name HB* )) ( (resid 65 and name HN )) 4.02 2.22 0.40
assign ((resid 64 and name HG )) ( (resid 65 and name HN )) 3.86 2.06 0.39
assign ((resid 61 and name HD1* )) ( (resid 65 and name HN )) 5.50 3.70 0.55
assign ((resid 64 and name HD1* )) ( (resid 65 and name HN )) 4.44 2.64 0.44
assign ((resid 64 and name HD2* )) ( (resid 65 and name HN )) 3.80 2.00 0.38
assign ((resid 66 and name HN )) ( (resid 75 and name HN )) 4.16 2.36 0.42
assign ((resid 65 and name HB2 )) ( (resid 66 and name HN )) 4.48 2.68 0.45
assign ((resid 64 and name HD2* )) ( (resid 66 and name HN )) 4.12 2.32 0.41
assign ((resid 65 and name HB1 )) ( (resid 66 and name HN )) 4.48 2.68 0.45
assign ((resid 9 and name HB2 )) ( (resid 10 and name HN )) 4.77 2.97 0.48
assign ((resid 10 and name HN )) ( (resid 50 and name HD22 )) 4.53 2.73 0.45
assign ((resid 9 and name HN )) ( (resid 49 and name HN )) 4.60 2.80 0.46
assign ((resid 9 and name HN )) ( (resid 50 and name HA )) 4.11 2.31 0.41
assign ((resid 9 and name HB1 )) ( (resid 10 and name HN )) 4.77 2.97 0.48
assign ((resid 9 and name HN )) ( (resid 10 and name HB* )) 4.67 2.87 0.47
assign ((resid 8 and name HG2* )) ( (resid 9 and name HN )) 3.95 2.15 0.40
assign ((resid 7 and name HG2* )) ( (resid 9 and name HN )) 4.09 2.29 0.41
assign ((resid 8 and name HG2* )) ( (resid 10 and name HN )) 4.65 2.85 0.47
assign ((resid 10 and name HB* )) ( (resid 11 and name HN )) 3.77 1.97 0.38
assign ((resid 11 and name HN )) ( (resid 14 and name HB* )) 4.36 2.56 0.44
assign ((resid 19 and name HB1 )) ( (resid 20 and name HN )) 4.11 2.31 0.41
assign ((resid 20 and name HD* )) ( (resid 21 and name HN )) 4.62 2.82 0.46
assign ((resid 20 and name HB2 )) ( (resid 21 and name HN )) 4.28 2.48 0.43
assign ((resid 20 and name HB1 )) ( (resid 21 and name HN )) 4.28 2.48 0.43
assign ((resid 25 and name HN )) ( (resid 36 and name HN )) 3.94 2.14 0.39
assign ((resid 25 and name HN )) ( (resid 25 and name HB2 )) 3.86 2.06 0.39
assign ((resid 62 and name HN )) ( (resid 63 and name HN )) 4.00 2.20 0.40
assign ((resid 51 and name HA )) ( (resid 62 and name HN )) 4.34 2.54 0.43
assign ((resid 51 and name HD* )) ( (resid 52 and name HN )) 4.32 2.52 0.43
assign ((resid 52 and name HN )) ( (resid 53 and name HN )) 4.97 3.17 0.50
assign ((resid 52 and name HN )) ( (resid 62 and name HN )) 5.50 3.70 0.55
assign ((resid 6 and name HA )) ( (resid 52 and name HN )) 5.38 3.58 0.54
assign ((resid 52 and name HN )) ( (resid 61 and name HA )) 4.71 2.91 0.47
assign ((resid 54 and name HN )) ( (resid 59 and name HN )) 4.33 2.53 0.43
assign ((resid 53 and name HA )) ( (resid 59 and name HN )) 3.90 2.10 0.39
assign ((resid 58 and name HG )) ( (resid 59 and name HN )) 4.33 2.53 0.43
assign ((resid 58 and name HD2* )) ( (resid 59 and name HN )) 4.26 2.46 0.43
assign ((resid 53 and name HG1* )) ( (resid 59 and name HN )) 5.50 3.70 0.55
assign ((resid 53 and name HG2* )) ( (resid 59 and name HN )) 5.50 3.70 0.55
assign ((resid 58 and name HD1* )) ( (resid 59 and name HN )) 4.71 2.91 0.47
assign ((resid 8 and name HA )) ( (resid 10 and name HN )) 4.46 2.66 0.45
assign ((resid 54 and name HA )) ( (resid 55 and name HN )) 3.17 1.37 0.32
assign ((resid 131 and name HA )) ( (resid 132 and name HN )) 3.01 1.21 0.30
assign ((resid 132 and name HA )) ( (resid 133 and name HN )) 2.99 1.19 0.30
assign ((resid 7 and name HN )) ( (resid 7 and name HB )) 3.59 1.79 0.36
assign ((resid 12 and name HN )) ( (resid 12 and name HB )) 3.23 1.43 0.32
assign ((resid 28 and name HN )) ( (resid 28 and name HB )) 3.28 1.48 0.33
assign ((resid 34 and name HN )) ( (resid 34 and name HB )) 3.60 1.80 0.36
assign ((resid 36 and name HN )) ( (resid 36 and name HB )) 3.44 1.64 0.34
assign ((resid 39 and name HN )) ( (resid 39 and name HB* )) 3.06 1.26 0.31
assign ((resid 40 and name HN )) ( (resid 40 and name HB )) 3.27 1.47 0.33
assign ((resid 45 and name HN )) ( (resid 45 and name HB )) 3.60 1.80 0.36
assign ((resid 53 and name HN )) ( (resid 53 and name HB )) 3.48 1.68 0.35
assign ((resid 60 and name HN )) ( (resid 60 and name HB )) 3.88 2.08 0.39
assign ((resid 72 and name HN )) ( (resid 72 and name HB* )) 3.02 1.22 0.30
assign ((resid 88 and name HN )) ( (resid 88 and name HB )) 3.53 1.73 0.35
assign ((resid 91 and name HN )) ( (resid 91 and name HB )) 3.60 1.80 0.36
assign ((resid 94 and name HN )) ( (resid 94 and name HB* )) 3.16 1.36 0.32
assign ((resid 97 and name HN )) ( (resid 97 and name HB )) 3.40 1.60 0.34
assign ((resid 99 and name HN )) ( (resid 99 and name HB )) 3.38 1.58 0.34
assign ((resid 109 and name HN )) ( (resid 109 and name HB )) 3.73 1.93 0.37
assign ((resid 111 and name HN )) ( (resid 111 and name HB )) 3.88 2.08 0.39
assign ((resid 10 and name HN )) ( (resid 10 and name HB* )) 3.51 1.71 0.35
assign ((resid 13 and name HN )) ( (resid 13 and name HB* )) 3.07 1.27 0.31
assign ((resid 16 and name HN )) ( (resid 16 and name HB2 )) 3.62 1.82 0.36
assign ((resid 17 and name HN )) ( (resid 17 and name HB2 )) 3.67 1.87 0.37
assign ((resid 46 and name HN )) ( (resid 46 and name HB2 )) 3.77 1.97 0.38
assign ((resid 62 and name HB )) ( (resid 63 and name HN )) 3.54 1.74 0.35
assign ((resid 89 and name HN )) ( (resid 89 and name HB2 )) 3.34 1.54 0.33
assign ((resid 92 and name HN )) ( (resid 92 and name HB2 )) 3.71 1.91 0.37
assign ((resid 93 and name HN )) ( (resid 93 and name HB2 )) 3.72 1.92 0.37
assign ((resid 98 and name HN )) ( (resid 98 and name HB2 )) 3.81 2.01 0.38
assign ((resid 102 and name HN )) ( (resid 102 and name HB2 )) 3.60 1.80 0.36
assign ((resid 103 and name HN )) ( (resid 103 and name HB2 )) 3.71 1.91 0.37
assign ((resid 105 and name HN )) ( (resid 105 and name HB1 )) 3.76 1.96 0.38
assign ((resid 106 and name HN )) ( (resid 106 and name HB2 )) 3.77 1.97 0.38
assign ((resid 105 and name HB2 )) ( (resid 107 and name HN )) 4.22 2.42 0.42
assign ((resid 115 and name HN )) ( (resid 115 and name HB2 )) 3.78 1.98 0.38
assign ((resid 116 and name HN )) ( (resid 116 and name HB2 )) 3.52 1.72 0.35
assign ((resid 117 and name HN )) ( (resid 117 and name HB2 )) 3.73 1.93 0.37
assign ((resid 120 and name HN )) ( (resid 120 and name HB2 )) 3.88 2.08 0.39
assign ((resid 133 and name HN )) ( (resid 133 and name HG )) 3.05 1.25 0.31
assign ((resid 5 and name HN )) ( (resid 5 and name HB2 )) 3.48 1.68 0.35
assign ((resid 5 and name HN )) ( (resid 5 and name HB1 )) 3.80 2.00 0.38
assign ((resid 6 and name HN )) ( (resid 6 and name HB* )) 3.39 1.59 0.34
assign ((resid 15 and name HN )) ( (resid 15 and name HB* )) 3.11 1.31 0.31
assign ((resid 16 and name HN )) ( (resid 16 and name HB1 )) 3.62 1.82 0.36
assign ((resid 17 and name HN )) ( (resid 17 and name HB1 )) 3.67 1.87 0.37
assign ((resid 18 and name HN )) ( (resid 18 and name HB* )) 2.96 1.16 0.30
assign ((resid 95 and name HN )) ( (resid 95 and name HB )) 3.26 1.46 0.33
assign ((resid 26 and name HN )) ( (resid 26 and name HB* )) 3.52 1.72 0.35
assign ((resid 29 and name HN )) ( (resid 29 and name HB1 )) 3.77 1.97 0.38
assign ((resid 41 and name HN )) ( (resid 41 and name HB2 )) 3.88 2.08 0.39
assign ((resid 43 and name HN )) ( (resid 43 and name HB1 )) 3.84 2.04 0.38
assign ((resid 44 and name HN )) ( (resid 44 and name HB* )) 3.30 1.50 0.33
assign ((resid 46 and name HN )) ( (resid 46 and name HB1 )) 3.77 1.97 0.38
assign ((resid 69 and name HN )) ( (resid 69 and name HB* )) 3.46 1.66 0.35
assign ((resid 92 and name HN )) ( (resid 92 and name HB1 )) 3.71 1.91 0.37
assign ((resid 103 and name HN )) ( (resid 103 and name HB1 )) 3.71 1.91 0.37
assign ((resid 104 and name HN )) ( (resid 104 and name HB1 )) 3.73 1.93 0.37
assign ((resid 105 and name HN )) ( (resid 105 and name HB2 )) 3.36 1.56 0.34
assign ((resid 106 and name HN )) ( (resid 106 and name HB1 )) 3.88 2.08 0.39
assign ((resid 112 and name HN )) ( (resid 112 and name HB* )) 3.42 1.62 0.34
assign ((resid 116 and name HN )) ( (resid 116 and name HB1 )) 3.52 1.72 0.35
assign ((resid 117 and name HN )) ( (resid 117 and name HB1 )) 3.73 1.93 0.37
assign ((resid 120 and name HN )) ( (resid 120 and name HB1 )) 3.88 2.08 0.39
assign ((resid 122 and name HB2 )) ( (resid 123 and name HN )) 5.35 3.55 0.54
assign ((resid 131 and name HN )) ( (resid 131 and name HB2 )) 3.13 1.33 0.31
assign ((resid 131 and name HN )) ( (resid 131 and name HG )) 3.45 1.65 0.34
assign ((resid 5 and name HN )) ( (resid 6 and name HN )) 4.60 2.80 0.46
assign ((resid 9 and name HN )) ( (resid 10 and name HN )) 3.49 1.69 0.35
assign ((resid 12 and name HN )) ( (resid 13 and name HN )) 3.64 1.84 0.36
assign ((resid 13 and name HN )) ( (resid 14 and name HN )) 3.79 1.99 0.38
assign ((resid 14 and name HN )) ( (resid 15 and name HN )) 3.56 1.76 0.36
assign ((resid 15 and name HN )) ( (resid 16 and name HN )) 3.55 1.75 0.35
assign ((resid 17 and name HN )) ( (resid 18 and name HN )) 4.88 3.08 0.49
assign ((resid 20 and name HN )) ( (resid 21 and name HN )) 4.70 2.90 0.47
assign ((resid 27 and name HN )) ( (resid 28 and name HN )) 4.74 2.94 0.47
assign ((resid 35 and name HN )) ( (resid 36 and name HN )) 4.66 2.86 0.47
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assign ((resid 91 and name HG1* )) ( (resid 95 and name HG1* )) 3.85 2.05 0.38
assign ((resid 92 and name HN )) ( (resid 92 and name HG* )) 3.59 1.79 0.36
assign ((resid 92 and name HN )) ( (resid 92 and name HD* )) 4.45 2.65 0.44
assign ((resid 92 and name HN )) ( (resid 93 and name HB* )) 5.34 3.54 0.53
assign ((resid 92 and name HB* )) ( (resid 92 and name HD* )) 3.11 1.31 0.31
assign ((resid 92 and name HB* )) ( (resid 92 and name HE* )) 3.44 1.64 0.34
assign ((resid 92 and name HB* )) ( (resid 93 and name HD2* )) 5.07 3.27 0.51
assign ((resid 92 and name HG* )) ( (resid 92 and name HE* )) 3.14 1.34 0.31
assign ((resid 92 and name HG* )) ( (resid 93 and name HN )) 4.47 2.67 0.45
assign ((resid 92 and name HG* )) ( (resid 119 and name HB* )) 4.02 2.22 0.40
assign ((resid 93 and name HN )) ( (resid 93 and name HB* )) 3.24 1.44 0.32
assign ((resid 93 and name HN )) ( (resid 93 and name HD2* )) 3.80 2.00 0.38
assign ((resid 93 and name HA )) ( (resid 93 and name HD2* )) 4.32 2.52 0.43
assign ((resid 93 and name HB* )) ( (resid 93 and name HD2* )) 2.98 1.18 0.30
assign ((resid 93 and name HB* )) ( (resid 95 and name HN )) 5.34 3.54 0.53
assign ((resid 94 and name HN )) ( (resid 95 and name HG1* )) 4.33 2.53 0.43
assign ((resid 95 and name HN )) ( (resid 95 and name HG1* )) 3.12 1.32 0.31
assign ((resid 95 and name HA )) ( (resid 95 and name HG1* )) 3.60 1.80 0.36
assign ((resid 95 and name HG2* )) ( (resid 95 and name HG1* )) 3.21 1.41 0.32
assign ((resid 95 and name HG1* )) ( (resid 96 and name HN )) 5.34 3.54 0.53
assign ((resid 99 and name HN )) ( (resid 99 and name HG1* )) 3.64 1.84 0.36
assign ((resid 99 and name HA )) ( (resid 99 and name HG1* )) 3.55 1.75 0.35
assign ((resid 99 and name HG2* )) ( (resid 99 and name HG1* )) 3.06 1.26 0.31
assign ((resid 99 and name HG2* )) ( (resid 103 and name HB* )) 4.20 2.40 0.42
assign ((resid 99 and name HG2* )) ( (resid 103 and name HG* )) 3.56 1.76 0.36
assign ((resid 99 and name HG1* )) ( (resid 100 and name HN )) 5.03 3.23 0.50
assign ((resid 99 and name HG1* )) ( (resid 109 and name HG2* )) 4.61 2.81 0.46
assign ((resid 101 and name HA* )) ( (resid 104 and name HN )) 4.44 2.64 0.44
assign ((resid 102 and name HA )) ( (resid 107 and name HD2* )) 4.24 2.44 0.42
assign ((resid 102 and name HB1 )) ( (resid 107 and name HB* )) 4.88 3.08 0.49
assign ((resid 102 and name HD2* )) ( (resid 107 and name HB* )) 4.05 2.25 0.41
assign ((resid 103 and name HN )) ( (resid 103 and name HB* )) 3.20 1.40 0.32
assign ((resid 103 and name HN )) ( (resid 103 and name HG* )) 3.48 1.68 0.35
assign ((resid 103 and name HN )) ( (resid 104 and name HB* )) 4.81 3.01 0.48
assign ((resid 103 and name HA )) ( (resid 103 and name HG* )) 3.48 1.68 0.35
assign ((resid 103 and name HB* )) ( (resid 104 and name HN )) 3.13 1.33 0.31
assign ((resid 103 and name HG* )) ( (resid 109 and name HG2* )) 4.19 2.39 0.42
assign ((resid 104 and name HN )) ( (resid 104 and name HB* )) 2.97 1.17 0.30
assign ((resid 104 and name HN )) ( (resid 104 and name HG* )) 3.27 1.47 0.33
assign ((resid 104 and name HB* )) ( (resid 106 and name HN )) 5.13 3.33 0.51
assign ((resid 104 and name HG* )) ( (resid 105 and name HN )) 4.44 2.64 0.44
assign ((resid 104 and name HG* )) ( (resid 105 and name HA )) 5.34 3.54 0.53
assign ((resid 105 and name HB2 )) ( (resid 107 and name HD2* )) 3.89 2.09 0.39
assign ((resid 105 and name HB1 )) ( (resid 107 and name HD2* )) 4.26 2.46 0.43
assign ((resid 107 and name HN )) ( (resid 107 and name HB* )) 3.29 1.49 0.33
assign ((resid 107 and name HN )) ( (resid 107 and name HD2* )) 3.98 2.18 0.40
assign ((resid 107 and name HB* )) ( (resid 108 and name HN )) 3.58 1.78 0.36
assign ((resid 110 and name HN )) ( (resid 110 and name HB* )) 3.43 1.63 0.34
assign ((resid 110 and name HB* )) ( (resid 111 and name HN )) 3.64 1.84 0.36
assign ((resid 111 and name HG1* )) ( (resid 120 and name HB* )) 5.34 3.54 0.53
assign ((resid 113 and name HN )) ( (resid 113 and name HB* )) 3.50 1.70 0.35
assign ((resid 113 and name HN )) ( (resid 113 and name HG* )) 3.51 1.71 0.35
assign ((resid 113 and name HA )) ( (resid 113 and name HG* )) 3.50 1.70 0.35
assign ((resid 113 and name HB* )) ( (resid 113 and name HE* )) 3.87 2.07 0.39
assign ((resid 113 and name HB* )) ( (resid 114 and name HN )) 3.74 1.94 0.37
assign ((resid 113 and name HB* )) ( (resid 114 and name HG2* )) 4.34 2.54 0.43
assign ((resid 113 and name HG* )) ( (resid 113 and name HE* )) 2.80 1.00 0.28
assign ((resid 113 and name HG* )) ( (resid 114 and name HN )) 5.08 3.28 0.51
assign ((resid 114 and name HN )) ( (resid 116 and name HB* )) 5.26 3.46 0.53
assign ((resid 114 and name HA )) ( (resid 117 and name HD* )) 4.66 2.86 0.47
assign ((resid 115 and name HD2* )) ( (resid 118 and name HB* )) 4.71 2.91 0.47
assign ((resid 116 and name HN )) ( (resid 116 and name HB* )) 3.08 1.28 0.31
assign ((resid 116 and name HA )) ( (resid 120 and name HB* )) 3.96 2.16 0.40
assign ((resid 116 and name HB* )) ( (resid 116 and name HE21 )) 3.99 2.19 0.40
assign ((resid 116 and name HB* )) ( (resid 116 and name HE22 )) 4.19 2.39 0.42
assign ((resid 117 and name HN )) ( (resid 117 and name HB* )) 3.25 1.45 0.33
assign ((resid 117 and name HN )) ( (resid 117 and name HG* )) 3.82 2.02 0.38
assign ((resid 117 and name HN )) ( (resid 117 and name HD* )) 4.18 2.38 0.42
assign ((resid 117 and name HA )) ( (resid 117 and name HG* )) 3.49 1.69 0.35
assign ((resid 117 and name HA )) ( (resid 117 and name HD* )) 4.15 2.35 0.42
assign ((resid 117 and name HB* )) ( (resid 117 and name HD* )) 3.19 1.39 0.32
assign ((resid 117 and name HB* )) ( (resid 118 and name HN )) 3.91 2.11 0.39
assign ((resid 117 and name HG* )) ( (resid 118 and name HN )) 4.18 2.38 0.42
assign ((resid 117 and name HG* )) ( (resid 118 and name HA )) 4.40 2.60 0.44
assign ((resid 117 and name HD* )) ( (resid 118 and name HN )) 4.45 2.65 0.44
assign ((resid 117 and name HD* )) ( (resid 118 and name HA )) 3.69 1.89 0.37
assign ((resid 118 and name HB* )) ( (resid 119 and name HB* )) 4.80 3.00 0.48
assign ((resid 119 and name HB* )) ( (resid 120 and name HB* )) 5.34 3.54 0.53
assign ((resid 120 and name HB* )) ( (resid 120 and name HD1 )) 3.30 1.50 0.33
assign ((resid 120 and name HB* )) ( (resid 120 and name HE1 )) 4.54 2.74 0.45
assign ((resid 120 and name HB* )) ( (resid 121 and name HN )) 4.32 2.52 0.43
assign ((resid 122 and name HB* )) ( (resid 123 and name HN )) 4.48 2.68 0.45
assign ((resid 124 and name HB* )) ( (resid 124 and name HD2* )) 3.18 1.38 0.32
assign ((resid 128 and name HN )) ( (resid 128 and name HB* )) 3.42 1.62 0.34
assign ((resid 128 and name HA )) ( (resid 129 and name HD* )) 2.74 0.94 0.27
assign ((resid 128 and name HB* )) ( (resid 128 and name HD* )) 2.90 1.10 0.29
assign ((resid 128 and name HB* )) ( (resid 129 and name HD* )) 3.21 1.41 0.32
assign ((resid 128 and name HG* )) ( (resid 129 and name HD* )) 4.23 2.43 0.42
assign ((resid 129 and name HA )) ( (resid 130 and name HD* )) 2.89 1.09 0.29
assign ((resid 129 and name HB* )) ( (resid 130 and name HD* )) 3.58 1.78 0.36
assign ((resid 132 and name HA )) ( (resid 133 and name HD* )) 5.23 3.43 0.52
assign ((resid 133 and name HA )) ( (resid 133 and name HD* )) 3.71 1.91 0.37
assign ((resid 133 and name HB* )) ( (resid 133 and name HD* )) 2.49 0.69 0.25
assign ((resid 133 and name HB* )) ( (resid 134 and name HN )) 3.60 1.80 0.36
assign ((resid 133 and name HD* )) ( (resid 134 and name HN )) 4.06 2.26 0.41
assign ((resid 134 and name HN )) ( (resid 134 and name HB* )) 3.50 1.70 0.35
assign ((resid 134 and name HA )) ( (resid 134 and name HG* )) 3.44 1.64 0.34
list of removed NOE constraints
94-> SER 52 HN - VAL 53 HA 1.80 6.05 # NoRestrctn S [2.00 3.99] -- sequential
105-> ASP 106 HN - ASP 106 HA 1.80 3.13 # NoRestrctn I [2.22 2.95] -- intra
108-> GLY 100 HA* - GLY 101 HN 1.80 3.92 # NoRestrctn S [2.00 3.55] -- sequential
110-> THR 11 HN - THR 11 HB 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
118-> ALA 49 HN - ALA 49 HB* 1.80 4.18 # NoRestrctn I [2.66 3.68] -- intra
120-> ILE 54 HN - ILE 54 HB 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
122-> ILE 62 HN - ILE 62 HB 1.80 4.48 # NoRestrctn I [2.00 4.30] -- intra
123-> ALA 66 HN - ALA 66 HB* 1.80 3.74 # NoRestrctn I [2.66 3.68] -- intra
132-> ALA 119 HN - ALA 119 HB* 1.80 3.69 # NoRestrctn I [2.66 3.68] -- intra
133-> THR 132 HN - THR 132 HB 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
134-> ASP 9 HN - ASP 9 HB2 1.80 4.62 # NoRestrctn I [2.00 4.30] -- intra
139-> LYS 27 HN - LYS 27 HB2 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
140-> GLU 29 HN - GLU 29 HB2 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
141-> LEU 32 HN - LEU 32 HB2 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
142-> CYS 33 HN - CYS 33 HB2 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
143-> ARG 35 HN - ARG 35 HB2 1.80 4.62 # NoRestrctn I [2.00 4.30] -- intra
144-> ASP 37 HN - ASP 37 HB2 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
145-> MET 41 HN - MET 41 HB1 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
146-> ASP 42 HN - ASP 42 HB2 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
148-> ARG 57 HN - ARG 57 HB2 1.80 4.40 # NoRestrctn I [2.00 4.30] -- intra
149-> LEU 58 HN - LEU 58 HB2 1.80 4.40 # NoRestrctn I [2.00 4.30] -- intra
151-> LEU 64 HN - LEU 64 HB2 1.80 4.50 # NoRestrctn I [2.00 4.30] -- intra
152-> GLU 70 HN - GLU 70 HB2 1.80 4.39 # NoRestrctn I [2.00 4.30] -- intra
154-> ASP 90 HN - ASP 90 HB2 1.80 4.50 # NoRestrctn I [2.00 4.30] -- intra
163-> ARG 110 HN - ARG 110 HB2 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
164-> LYS 113 HN - LYS 113 HB2 1.80 4.46 # NoRestrctn I [2.00 4.30] -- intra
168-> PHE 118 HN - PHE 118 HB2 1.80 4.57 # NoRestrctn I [2.00 4.30] -- intra
170-> ARG 128 HN - ARG 128 HB2 1.80 4.49 # NoRestrctn I [2.00 4.30] -- intra
175-> ASP 9 HN - ASP 9 HB1 1.80 4.62 # NoRestrctn I [2.00 4.30] -- intra
176-> GLU 14 HN - GLU 14 HB* 1.80 4.33 # NoRestrctn I [2.29 3.93] -- intra
184-> LEU 32 HN - LEU 32 HB1 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
185-> CYS 33 HN - CYS 33 HB1 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
186-> ARG 35 HN - ARG 35 HB1 1.80 4.62 # NoRestrctn I [2.00 4.30] -- intra
187-> ASP 37 HN - ASP 37 HB1 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
189-> ASP 42 HN - ASP 42 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
193-> ARG 57 HN - ARG 57 HB1 1.80 4.40 # NoRestrctn I [2.00 4.30] -- intra
194-> LEU 58 HN - LEU 58 HB1 1.80 4.40 # NoRestrctn I [2.00 4.30] -- intra
195-> LEU 64 HN - LEU 64 HB1 1.80 4.50 # NoRestrctn I [2.00 4.30] -- intra
197-> GLU 70 HN - GLU 70 HB1 1.80 4.39 # NoRestrctn I [2.00 4.30] -- intra
198-> ASP 90 HN - ASP 90 HB1 1.80 4.50 # NoRestrctn I [2.00 4.30] -- intra
200-> LEU 102 HN - LEU 102 HB1 1.80 4.36 # NoRestrctn I [2.00 4.30] -- intra
205-> ARG 110 HN - ARG 110 HB1 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
207-> LEU 115 HN - LEU 115 HB1 1.80 4.42 # NoRestrctn I [2.00 4.30] -- intra
210-> PHE 118 HN - PHE 118 HB1 1.80 4.57 # NoRestrctn I [2.00 4.30] -- intra
213-> ARG 128 HN - ARG 128 HB1 1.80 4.49 # NoRestrctn I [2.00 4.30] -- intra
370-> GLN 38 HN - GLN 38 HB2 1.80 4.58 # NoRestrctn I [2.00 4.30] -- intra
419-> LYS 27 HN - LYS 27 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
450-> ASN 105 HB2 - ASN 105 HD21 1.80 4.30 # NoRestrctn I [2.10 3.57] -- intra
452-> GLN 38 HG1 - GLN 38 HE22 1.80 4.50 # NoRestrctn I [3.46 4.15] -- intra
453-> GLN 116 HG1 - GLN 116 HE22 1.80 4.23 # NoRestrctn I [3.46 4.15] -- intra
520-> PHE 118 HN - ALA 119 HB* 1.80 6.05 # NoRestrctn S [2.00 6.01] -- sequential
833-> SER 78 HA - PRO 79 HD1 1.80 4.36 # NoRestrctn S [2.00 3.95] -- sequential
834-> LEU 80 HA - PRO 81 HD2 1.80 4.23 # NoRestrctn S [2.00 3.95] -- sequential
835-> LEU 80 HA - PRO 81 HD1 1.80 4.23 # NoRestrctn S [2.00 3.95] -- sequential
837-> MET 23 HA - PRO 24 HD2 1.80 4.21 # NoRestrctn S [2.00 3.95] -- sequential
850-> MET 23 HA - PRO 24 HD1 1.80 4.21 # NoRestrctn S [2.00 3.95] -- sequential
855-> MET 1 HA - MET 1 HG* 1.80 4.19 # NoRestrctn I [2.23 4.01] -- intra
858-> MET 23 HN - MET 23 HB1 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
882-> ILE 62 HN - LEU 63 HA 1.80 6.05 # NoRestrctn S [2.00 3.99] -- sequential
884-> SER 78 HA - PRO 79 HD2 1.80 4.36 # NoRestrctn S [2.00 3.95] -- sequential
885-> GLU 69 HA - GLU 69 HB* 1.80 3.32 # FixedDistn I [0.00 0.00] -- intra
886-> LEU 131 HA - LEU 131 HB1 1.80 3.23 # NoRestrctn I [2.22 3.02] -- intra
888-> ILE 7 HA - ILE 7 HG2* 1.80 3.96 # NoRestrctn I [2.63 3.78] -- intra
894-> GLU 29 HA - GLU 29 HG* 1.80 4.03 # NoRestrctn I [2.23 4.01] -- intra
900-> ILE 99 HA - ILE 99 HG2* 1.80 3.79 # NoRestrctn I [2.63 3.78] -- intra
905-> GLU 125 HA - GLU 125 HG* 1.80 4.06 # NoRestrctn I [2.23 4.01] -- intra
915-> GLU 69 HA - GLU 69 HG1 1.80 4.66 # NoRestrctn I [2.06 4.60] -- intra
922-> LEU 22 HA - LEU 22 HG 1.80 4.28 # NoRestrctn I [2.06 4.26] -- intra
924-> LEU 102 HA - LEU 102 HG 1.80 4.37 # NoRestrctn I [2.06 4.26] -- intra
925-> LEU 115 HA - LEU 115 HG 1.80 4.31 # NoRestrctn I [2.06 4.26] -- intra
961-> PHE 20 HN - PHE 20 HB2 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
962-> LEU 22 HN - LEU 22 HB2 1.80 4.58 # NoRestrctn I [2.00 4.30] -- intra
967-> GLU 134 HN - GLU 134 HB2 1.80 4.53 # NoRestrctn I [2.00 4.30] -- intra
974-> ILE 40 HB - ILE 40 HD1* 1.80 3.82 # NoRestrctn I [2.63 3.78] -- intra
979-> LEU 131 HA - LEU 131 HG 1.80 4.49 # NoRestrctn I [2.06 4.26] -- intra
982-> MET 41 HA - MET 41 HG1 1.80 4.62 # NoRestrctn I [2.06 4.60] -- intra
983-> GLU 69 HA - GLU 69 HG2 1.80 4.66 # NoRestrctn I [2.06 4.60] -- intra
994-> ARG 128 HA - ARG 128 HG* 1.80 4.03 # NoRestrctn I [2.23 4.01] -- intra
1006-> MET 23 HN - MET 23 HB2 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
1027-> PHE 20 HN - PHE 20 HB1 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
1028-> LEU 22 HN - LEU 22 HB1 1.80 4.58 # NoRestrctn I [2.00 4.30] -- intra
1029-> LYS 113 HN - LYS 113 HB1 1.80 4.46 # NoRestrctn I [2.00 4.30] -- intra
1030-> GLU 134 HN - GLU 134 HB1 1.80 4.53 # NoRestrctn I [2.00 4.30] -- intra
1037-> LYS 48 HG* - LYS 48 HE2 1.80 4.46 # NoRestrctn I [2.00 4.30] -- intra
1043-> LYS 25 HD* - LYS 25 HE* 1.80 3.05 # NoRestrctn I [2.27 2.51] -- intra
1044-> LYS 113 HD* - LYS 113 HE* 1.80 2.97 # NoRestrctn I [2.27 2.51] -- intra
1097-> ARG 110 HG* - ARG 110 HD* 1.80 2.97 # NoRestrctn I [2.26 2.50] -- intra
1100-> ILE 99 HB - ILE 99 HD1* 1.80 3.88 # NoRestrctn I [2.63 3.78] -- intra
1108-> ILE 73 HB - ILE 73 HD1* 1.80 3.95 # NoRestrctn I [2.63 3.78] -- intra
1109-> ILE 77 HB - ILE 77 HD1* 1.80 3.88 # NoRestrctn I [2.63 3.78] -- intra
1110-> ILE 88 HB - ILE 88 HD1* 1.80 3.83 # NoRestrctn I [2.63 3.78] -- intra
1112-> ILE 34 HG2* - ILE 34 HD1* 1.80 2.64 # TooRestrct I [2.92 5.00] -- intra
1121-> ILE 34 HA - ILE 34 HG2* 1.80 3.94 # NoRestrctn I [2.63 3.78] -- intra
1122-> ILE 36 HA - ILE 36 HG2* 1.80 3.94 # NoRestrctn I [2.63 3.78] -- intra
1123-> ILE 45 HA - ILE 45 HG2* 1.80 4.00 # NoRestrctn I [2.63 3.78] -- intra
1125-> ILE 54 HA - ILE 54 HG2* 1.80 4.02 # NoRestrctn I [2.63 3.78] -- intra
1129-> ILE 77 HA - ILE 77 HG2* 1.80 4.08 # NoRestrctn I [2.63 3.78] -- intra
1131-> ILE 88 HA - ILE 88 HG2* 1.80 4.21 # NoRestrctn I [2.63 3.78] -- intra
1133-> ILE 95 HA - ILE 95 HG2* 1.80 4.52 # NoRestrctn I [2.63 3.78] -- intra
1626-> ASN 105 HN - ASP 106 HA 1.80 5.50 # NoRestrctn S [2.00 3.99] -- sequential
1959-> SER 4 HN - SER 4 HB* 1.80 3.96 # NoRestrctn I [2.29 3.93] -- intra
1971-> ILE 7 HA - ILE 7 HG1* 1.80 4.03 # NoRestrctn I [2.23 4.01] -- intra
1976-> ASP 9 HN - ASP 9 HB* 1.80 4.04 # NoRestrctn I [2.29 3.93] -- intra
2086-> ARG 35 HN - ARG 35 HB* 1.80 3.95 # NoRestrctn I [2.29 3.93] -- intra
2088-> ARG 35 HA - ARG 35 HG* 1.80 4.02 # NoRestrctn I [2.23 4.01] -- intra
2147-> LYS 48 HN - LYS 48 HB* 1.80 4.00 # NoRestrctn I [2.29 3.93] -- intra
2151-> LYS 48 HG* - LYS 48 HE* 1.80 3.85 # NoRestrctn I [2.52 3.73] -- intra
2185-> ARG 57 HB* - ARG 57 HG* 1.80 2.54 # NoRestrctn I [2.26 2.50] -- intra
2201-> GLU 59 HB* - GLU 59 HG* 1.80 2.53 # NoRestrctn I [2.26 2.50] -- intra
2210-> LEU 63 HN - LEU 63 HB* 1.80 4.02 # NoRestrctn I [2.29 3.93] -- intra
2240-> GLU 76 HN - GLU 76 HB* 1.80 3.98 # NoRestrctn I [2.29 3.93] -- intra
2283-> LYS 92 HG* - LYS 92 HD* 1.80 2.52 # NoRestrctn I [2.26 2.50] -- intra
2316-> ARG 104 HB* - ARG 104 HG* 1.80 2.54 # NoRestrctn I [2.26 2.50] -- intra
2334-> LYS 113 HG* - LYS 113 HD* 1.80 2.60 # NoRestrctn I [2.26 2.50] -- intra
2355-> PHE 118 HN - PHE 118 HB* 1.80 3.98 # NoRestrctn I [2.29 3.93] -- intra
2365-> ARG 128 HB* - ARG 128 HG* 1.80 2.66 # NoRestrctn I [2.26 2.50] -- intra
====== TOTAL ======: 116
table of distance constraints violations
Residual Violations greater than 0.10
26-> LEU 63 HD1* - ARG 65 HE [ 1.80 5.59] 0.02 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.02 .. 0.18]
37-> ILE 99 HD1* - TRP 120 HE1 [ 1.80 4.49] 0.12 0.13 0.01 0.00 0.08 0.04 0.05 0.09 0.07 0.08 0.11 0.10 0.01 0.06 0.00 0.07 0.00 0.04 0.06 0.04 - 17 [ 0.01 .. 0.13]
107-> THR 132 HA - LEU 133 HN [ 1.80 3.29] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 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 [ 0.23 .. 0.23]
268-> ALA 3 HA - SER 4 HN [ 1.80 3.45] 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 0.13 0.00 0.15 0.05 0.00 0.00 - 3 [ 0.05 .. 0.15]
363-> GLU 134 HN - GLU 134 HG2 [ 1.80 4.42] 0.00 0.11 0.00 0.00 0.00 0.00 0.11 0.00 0.11 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 - 5 [ 0.11 .. 0.11]
447-> VAL 109 HN - VAL 109 HG1* [ 1.80 3.64] 0.00 0.22 0.00 0.23 0.00 0.00 0.23 0.00 0.00 0.21 0.23 0.00 0.00 0.22 0.25 0.00 0.18 0.24 0.22 0.22 - 11 [ 0.18 .. 0.25]
495-> LYS 25 HD* - GLN 38 HE22 [ 1.80 4.60] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 - 1 [ 0.29 .. 0.29]
611-> ARG 5 HB3 - TYR 6 HN [ 1.80 3.83] 0.07 0.11 0.06 0.06 0.04 0.06 0.07 0.03 0.10 0.07 0.12 0.09 0.07 0.10 0.17 0.11 0.31 0.05 0.04 0.04 - 20 [ 0.03 .. 0.31]
652-> PRO 130 HB3 - LEU 131 HN [ 1.80 4.43] 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 0.00 - 1 [ 0.13 .. 0.13]
682-> THR 132 HB - LEU 133 HN [ 1.80 4.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.12 .. 0.16]
756-> ASP 18 HB* - TRP 19 HN [ 1.80 3.62] 0.13 0.15 0.00 0.12 0.00 0.17 0.00 0.00 0.19 0.25 0.00 0.17 0.14 0.00 0.00 0.00 0.00 0.11 0.00 0.00 - 9 [ 0.11 .. 0.25]
813-> LEU 102 HD2* - THR 108 HN [ 1.80 5.83] 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.11 0.00 0.00 0.00 - 4 [ 0.00 .. 0.11]
814-> THR 108 HN - VAL 109 HG1* [ 1.80 6.05] 0.00 0.03 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.06 0.10 0.00 0.00 0.04 0.09 0.00 0.01 0.10 0.01 0.05 - 10 [ 0.01 .. 0.10]
852-> ALA 3 HA - ILE 54 HD1* [ 1.80 5.57] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
866-> MET 10 HE* - LEU 15 HD1* [ 1.80 3.42] 0.00 0.00 0.25 0.00 0.03 0.00 0.00 0.00 0.00 0.23 0.21 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.09 0.20 - 7 [ 0.01 .. 0.25]
878-> ARG 117 HN - ARG 117 HD3 [ 1.80 5.29] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.68 .. 0.68]
1015-> LEU 22 HG - MET 23 HG2 [ 1.80 4.42] 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.07 .. 0.10]
1064-> LEU 15 HG - LEU 63 HD2* [ 1.80 3.84] 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 - 4 [ 0.11 .. 0.22]
1261-> ALA 39 HN - ILE 40 HD1* [ 1.80 4.15] 0.00 0.00 0.06 0.00 0.00 0.11 0.08 0.00 0.00 0.12 0.05 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.05 .. 0.12]
1399-> VAL 111 HG2* - TRP 120 HD1 [ 1.80 4.61] 0.00 0.03 0.00 0.00 0.01 0.00 0.00 0.04 0.02 0.01 0.02 0.05 0.00 0.06 0.00 0.11 0.00 0.03 0.00 0.00 - 11 [ 0.00 .. 0.11]
1440-> VAL 111 HG1* - TRP 120 HZ3 [ 1.80 4.70] 0.40 0.14 0.25 0.52 0.17 0.36 0.43 0.38 0.23 0.15 0.11 0.13 0.28 0.15 0.38 0.28 0.39 0.33 0.28 0.12 - 20 [ 0.11 .. 0.52]
1447-> VAL 109 HG2* - ARG 110 HA [ 1.80 4.93] 0.00 0.62 0.00 0.62 0.00 0.00 0.60 0.00 0.00 0.60 0.68 0.00 0.00 0.60 0.56 0.00 0.64 0.57 0.63 0.63 - 11 [ 0.56 .. 0.68]
1450-> ILE 45 HN - LEU 102 HD2* [ 1.80 5.35] 0.37 0.44 0.12 0.22 0.08 0.11 0.09 0.15 0.13 0.08 0.54 0.08 0.12 0.32 0.37 0.14 0.62 0.23 0.44 0.33 - 20 [ 0.08 .. 0.62]
1463-> LEU 102 HB2 - VAL 109 HG1* [ 1.80 3.81] 0.00 0.07 0.00 0.10 0.00 0.00 0.06 0.00 0.00 0.03 0.10 0.00 0.00 0.06 0.03 0.00 0.04 0.01 0.06 0.05 - 11 [ 0.01 .. 0.10]
1498-> LEU 80 HD2* - PRO 81 HG* [ 1.80 4.16] 0.00 0.00 0.00 0.00 0.00 0.07 0.19 0.00 0.00 0.00 0.05 0.00 0.02 0.01 0.00 0.00 0.04 0.10 0.00 0.00 - 9 [ 0.00 .. 0.19]
1551-> PRO 2 HG2 - ILE 54 HD1* [ 1.80 4.83] 0.00 0.00 0.02 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.17 0.00 0.00 0.00 - 4 [ 0.02 .. 0.78]
1552-> PRO 2 HG3 - ILE 54 HD1* [ 1.80 4.83] 0.00 0.08 0.03 0.64 0.00 0.50 1.14 0.09 0.22 0.05 0.79 0.19 0.00 0.06 0.00 0.45 0.07 0.49 0.37 0.00 - 15 [ 0.03 .. 1.14]
1595-> SER 4 HB3 - ILE 54 HD1* [ 1.80 4.97] 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.02 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.11]
1608-> LEU 15 HD2* - SER 16 HA [ 1.80 5.28] 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 - 4 [ 0.30 .. 0.34]
1646-> MET 41 HB2 - ASN 105 HA [ 1.80 6.05] 0.00 0.01 0.07 0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.10 0.06 0.06 0.00 0.06 0.02 0.05 0.00 0.00 0.00 - 11 [ 0.01 .. 0.10]
1652-> PHE 83 HN - PRO 84 HD2 [ 1.80 5.03] 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.15 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 - 4 [ 0.07 .. 0.15]
1730-> ASN 44 HB* - GLU 69 HG3 [ 1.80 4.29] 0.00 0.00 0.07 0.05 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.12 0.00 0.03 0.00 0.00 - 6 [ 0.03 .. 0.12]
1749-> ASP 37 HA - GLN 38 HG2 [ 1.80 4.81] 0.08 0.02 0.06 0.02 0.05 0.13 0.11 0.07 0.05 0.10 0.07 0.07 0.08 0.03 0.09 0.05 0.08 0.06 0.05 0.07 - 20 [ 0.02 .. 0.13]
1773-> ARG 5 HB2 - VAL 53 HG2* [ 1.80 4.82] 0.01 0.10 0.07 0.12 0.03 0.00 0.11 0.03 0.05 0.04 0.15 0.00 0.06 0.08 0.12 0.05 0.00 0.00 0.22 0.00 - 15 [ 0.01 .. 0.22]
1832-> MET 41 HE* - ASN 105 HB2 [ 1.80 4.39] 0.06 0.05 0.05 0.05 0.10 0.07 0.10 0.03 0.03 0.07 0.07 0.04 0.05 0.08 0.01 0.04 0.01 0.13 0.05 0.02 - 20 [ 0.01 .. 0.13]
1853-> LYS 25 HB3 - ILE 36 HB [ 1.80 4.35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.07 .. 0.13]
1903-> TRP 19 HA - PHE 20 HD* [ 1.80 4.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 - 1 [ 1.23 .. 1.23]
1937-> GLN 116 HA - TRP 120 HE3 [ 1.80 5.81] 0.00 0.00 0.14 0.14 0.00 0.09 0.00 0.00 0.00 0.04 0.00 0.00 0.30 0.00 0.19 0.00 0.02 0.00 0.00 0.00 - 7 [ 0.02 .. 0.30]
1949-> LEU 61 HD2* - HIS 86 HE1 [ 1.80 4.59] 0.17 0.00 0.10 0.27 0.23 0.06 0.25 0.30 0.00 0.00 0.15 0.15 0.00 0.20 0.14 0.13 0.21 0.00 0.24 0.00 - 14 [ 0.06 .. 0.30]
1954-> TRP 19 HD1 - ILE 73 HB [ 1.80 3.96] 0.09 0.00 0.03 0.14 0.15 0.03 0.11 0.09 0.04 0.01 0.02 0.00 0.03 0.09 0.10 0.01 0.03 0.11 0.08 0.06 - 18 [ 0.01 .. 0.15]
1956-> PRO 2 HG* - ILE 54 HD1* [ 1.80 4.20] 0.00 0.00 0.13 0.09 0.00 0.23 0.84 0.00 0.04 0.00 0.14 0.03 0.00 0.00 0.09 0.26 0.21 0.03 0.09 0.00 - 12 [ 0.03 .. 0.84]
1957-> PRO 2 HD* - ILE 54 HD1* [ 1.80 5.25] 0.00 0.00 0.22 0.00 0.00 0.16 0.00 0.00 0.58 0.00 0.59 0.40 0.00 0.00 0.00 0.00 0.00 0.59 0.77 0.03 - 8 [ 0.03 .. 0.77]
1981-> THR 11 HG2* - GLU 13 HG* [ 1.80 4.48] 0.06 0.12 0.09 0.08 0.11 0.06 0.06 0.11 0.07 0.06 0.07 0.03 0.14 0.07 0.04 0.08 0.07 0.06 0.09 0.08 - 20 [ 0.03 .. 0.14]
1992-> GLU 14 HG* - ARG 65 HE [ 1.80 5.87] 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.02 - 4 [ 0.02 .. 0.64]
2005-> ARG 17 HB* - TRP 19 HE1 [ 1.80 5.37] 0.00 0.00 0.00 0.03 0.07 0.00 0.10 0.03 0.00 0.00 0.13 0.00 0.00 0.08 0.02 0.09 0.09 0.00 0.01 0.10 - 11 [ 0.01 .. 0.13]
2008-> ARG 17 HG* - TRP 19 HE1 [ 1.80 5.67] 0.08 0.04 0.09 0.20 0.07 0.02 0.12 0.10 0.00 0.00 0.06 0.04 0.05 0.09 0.06 0.03 0.00 0.05 0.00 0.05 - 17 [ 0.00 .. 0.20]
2017-> MET 21 HN - MET 21 HG* [ 1.80 3.71] 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 [ 0.27 .. 0.27]
2026-> LEU 22 HB* - ALA 39 HB* [ 1.80 3.77] 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 0.01 0.01 0.00 0.00 0.03 - 4 [ 0.01 .. 0.14]
2033-> MET 23 HB3 - ASP 37 HB* [ 1.80 5.87] 0.11 0.00 0.15 0.16 0.08 0.17 0.16 0.11 0.22 0.14 0.19 0.16 0.13 0.15 0.10 0.03 0.05 0.11 0.16 0.04 - 19 [ 0.03 .. 0.22]
2062-> LYS 27 HD* - VAL 97 HG1* [ 1.80 3.51] 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 - 3 [ 0.06 .. 0.26]
2136-> MET 46 HB* - LYS 48 HE* [ 1.80 4.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.11 0.10 0.00 0.00 0.06 - 5 [ 0.06 .. 0.26]
2152-> LYS 48 HD* - PHE 67 HD* [ 1.80 5.59] 0.28 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.09 .. 0.32]
2178-> ILE 54 HD1* - GLU 59 HG* [ 1.80 4.84] 0.00 0.00 0.00 0.00 0.00 0.13 0.02 0.01 0.00 0.00 0.00 0.13 0.00 0.00 0.05 0.10 0.53 0.07 0.00 0.00 - 8 [ 0.01 .. 0.53]
2282-> LYS 92 HB* - ASN 93 HD2* [ 1.80 5.58] 0.00 0.11 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.11 0.18 - 6 [ 0.06 .. 0.18]
2329-> LYS 113 HN - LYS 113 HG* [ 1.80 3.86] 0.12 0.13 0.13 0.13 0.13 0.00 0.12 0.00 0.15 0.00 0.00 0.00 0.00 0.12 0.12 0.13 0.00 0.14 0.14 0.13 - 13 [ 0.12 .. 0.15]
2354-> ARG 117 HD* - PHE 118 HA [ 1.80 4.06] 0.87 0.67 1.02 1.01 0.95 0.94 0.78 0.00 0.73 0.00 0.27 0.00 0.40 0.00 0.92 0.00 0.80 0.94 0.70 0.73 - 15 [ 0.27 .. 1.02]
2367-> ARG 128 HB* - PRO 129 HD* [ 1.80 3.53] 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.10 .. 0.30]
-------------------------------------------
Number of Violations greater than 0.10 11 13 12 14 8 11 18 7 10 11 22 12 7 9 15 12 13 15 14 12
-------------------------------------------
---- Summary Of Residual Distance Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 5 9 7 6 6 7 10 4 5 5 12 10 4 5 8 8 5 7 4 5 6.60
0.2 - 0.5 ang: 5 2 4 4 1 2 3 3 3 5 5 2 3 3 4 3 4 5 6 5 3.60
> 0.5 ang: 1 2 1 4 1 2 5 0 2 1 5 0 0 1 3 1 4 3 4 2 2.10
Total : 47 42 42 52 40 42 55 41 47 41 49 37 38 50 59 43 53 39 47 42 45.30
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 : 0.867 0.672 1.017 1.013 0.948 0.938 1.143 0.381 0.728 0.599 0.788 0.398 0.405 0.601 0.920 1.232 0.803 0.937 0.767 0.735 1.232
Max Intra Viol : 0.266 0.217 0.130 0.231 0.128 0.059 0.233 0.033 0.146 0.213 0.678 0.105 0.037 0.221 0.249 0.129 0.179 0.244 0.221 0.221 0.678
Max Seque Viol : 0.867 0.672 1.017 1.013 0.948 0.938 0.776 0.233 0.728 0.599 0.679 0.168 0.405 0.601 0.920 1.232 0.803 0.937 0.701 0.735 1.232
Max Medium Viol : 0.077 0.118 0.138 0.201 0.111 0.093 0.145 0.112 0.112 0.061 0.133 0.258 0.298 0.091 0.186 0.115 0.104 0.093 0.093 0.104 0.298
Max Long Viol : 0.400 0.437 0.251 0.640 0.226 0.505 1.143 0.381 0.576 0.233 0.788 0.398 0.284 0.325 0.777 0.446 0.621 0.589 0.767 0.327 1.143
Average Violation : 0.002 0.002 0.002 0.002 0.001 0.002 0.003 0.001 0.002 0.002 0.003 0.001 0.001 0.002 0.003 0.002 0.003 0.002 0.003 0.002 0.00199
Avge Intra Viol : 0.001 0.001 0.000 0.001 0.000 0.000 0.001 0.000 0.000 0.000 0.001 0.000 0.000 0.001 0.001 0.000 0.000 0.001 0.001 0.001 0.00046
Avge Seque Viol : 0.000 0.001 0.001 0.001 0.001 0.000 0.001 0.001 0.001 0.000 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.00074
Avge Mediu Viol : 0.005 0.006 0.006 0.007 0.004 0.005 0.007 0.002 0.004 0.006 0.008 0.002 0.003 0.004 0.007 0.005 0.007 0.007 0.006 0.007 0.00543
Avge Long Viol : 0.003 0.002 0.003 0.004 0.002 0.003 0.006 0.002 0.003 0.002 0.005 0.003 0.002 0.002 0.004 0.003 0.004 0.004 0.005 0.002 0.00317
RMS Violation : 0.025 0.023 0.025 0.032 0.022 0.025 0.041 0.013 0.022 0.018 0.035 0.014 0.014 0.018 0.032 0.029 0.031 0.031 0.033 0.025 0.02647
RMS Intra : 0.011 0.010 0.006 0.010 0.005 0.002 0.011 0.001 0.007 0.008 0.027 0.004 0.001 0.010 0.011 0.005 0.007 0.010 0.011 0.010 0.00991
RMS Sequential : 0.005 0.008 0.009 0.011 0.007 0.005 0.010 0.006 0.007 0.003 0.008 0.013 0.014 0.006 0.009 0.007 0.008 0.007 0.006 0.007 0.00821
RMS Medium range : 0.052 0.055 0.063 0.070 0.056 0.057 0.059 0.017 0.045 0.044 0.052 0.014 0.026 0.037 0.064 0.072 0.063 0.065 0.056 0.061 0.05375
RMS Long range : 0.027 0.020 0.020 0.035 0.015 0.028 0.061 0.021 0.027 0.016 0.045 0.021 0.014 0.018 0.038 0.025 0.037 0.035 0.047 0.019 0.03087
Final --global-- Summary for 20 models, 2377 NOEs/model, 47540 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 94.446
Summ sq. viol : 33.314
Maximum viol : 1.232
Average viol : 0.00199
RMSD viol : 0.02647
Std. Dev. viol : 0.02640
RMS Intra : 0.00991
RMS Seque : 0.00821
RMS Medi : 0.05375
RMS Long : 0.03087
table of dihedral angle constraints violations
1-> [ARG A 5] PHI -156.2 -96.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3]
34-> [LYS A 25] PHI -134.6 -74.6 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 2.0 0.0 0.0 - 1 [ 0.0 .. 2.0]
128-> [PHE A 83] PSI 70.9 130.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 0.6 0.0 - 2 [ 0.0 .. 2.1]
129-> [HIS A 86] PHI -149.3 -89.3 0.0 0.0 0.0 0.0 0.0 0.0 7.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 7.2]
130-> [HIS A 86] PSI 127.8 -172.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 11.8]
202-> [TRP A 120] CHI1 160.0 -160.0 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 2.8 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.8]
203-> [TRP A 120] CHI2 -110.0 -70.0 0.6 5.0 0.0 0.0 0.0 0.0 0.0 6.2 0.0 0.0 4.6 0.2 7.7 4.4 0.0 11.2 0.0 2.0 0.0 2.9 - 10 [ 0.0 .. 11.2]
---- 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 : 0 1 0 0 0 0 1 1 0 0 1 1 1 2 0 1 0 2 0 1 0.60
> 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0.10
Total : 1 1 0 0 0 0 1 1 0 0 1 2 2 2 0 2 0 2 1 1 0.85
Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Maximum Violation : 0.6 5.0 0.0 0.0 0.0 0.0 7.2 6.2 0.0 0.0 4.6 1.3 11.8 4.4 0.0 11.2 0.0 2.0 0.6 2.9 11.82
Max PHI Viol : 0.0 0.0 0.0 0.0 0.0 0.0 7.2 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 7.17
Max PSI Viol : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.8 2.1 0.0 0.0 0.0 0.0 0.6 0.0 11.82
Max CHI1 Viol : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.8 0.0 0.0 0.0 0.0 2.84
Max CHI2 Viol : 0.6 5.0 0.0 0.0 0.0 0.0 0.0 6.2 0.0 0.0 4.6 0.2 7.7 4.4 0.0 11.2 0.0 2.0 0.0 2.9 11.22
Average Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.018
Avge PHI Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.273 0.000 0.000 0.000 0.000 0.116 0.000 0.000 0.000 0.000 0.000 0.144 0.000 0.000 0.074
Avge PSI Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.351 0.147 0.000 0.000 0.000 0.000 0.078 0.000 0.087
Avge CHI1 Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.842 0.000 0.000 0.000 0.000 0.188
Avge CHI2 Viol : 0.311 0.913 0.000 0.000 0.000 0.000 0.000 1.020 0.000 0.000 0.871 0.196 1.129 0.857 0.000 1.368 0.000 0.572 0.000 0.693 0.611
RMS Violation : 0.041 0.351 0.000 0.000 0.000 0.000 0.503 0.438 0.000 0.000 0.320 0.093 0.988 0.342 0.000 0.812 0.000 0.196 0.041 0.202 0.355
RMS PHI Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.732 0.000 0.000 0.000 0.000 0.133 0.000 0.000 0.000 0.000 0.000 0.202 0.000 0.000 0.172
RMS PSI Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.206 0.212 0.000 0.000 0.000 0.000 0.059 0.000 0.274
RMS CHI1 Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.419 0.000 0.000 0.000 0.000 0.317
RMS CHI2 Viol : 0.237 2.042 0.000 0.000 0.000 0.000 0.000 2.548 0.000 0.000 1.860 0.094 3.123 1.798 0.000 4.581 0.000 0.803 0.000 1.177 1.584
Final --global-- Summary for 20 models, 203 ACOs/model, 4060 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 72.51
Summ. Sq. Viol. : 510.60
Max. Viol. : 11.819
Avg. Viol. : 0.01786
RMS Viol. : 0.35463
Std. Dev. Viol. : 0.35418
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 0.610 0.536 0.271 0.095
PRO A 2 0.982 0.357 0.886 0.818
ALA A 3 0.523 0.528
SER A 4 0.725 0.882 0.569
ARG A 5 0.945 0.998 0.998 1.000 0.812 0.952 1.000 5 5
TYR A 6 0.995 0.999 0.997 0.899 6 6
ILE A 7 0.998 0.999 1.000 1.000 7 7
THR A 8 0.994 0.997 1.000 8 8
ASP A 9 0.996 0.997 0.662 0.783 9 9
MET A 10 0.993 0.989 0.261 0.998 0.282 10 10
THR A 11 0.999 0.999 0.999 11 11
ILE A 12 0.998 1.000 1.000 1.000 12 12
GLU A 13 0.999 0.995 0.999 0.999 1.000 13 13
GLU A 14 0.998 0.996 0.501 0.577 0.899 14 14
LEU A 15 0.998 0.998 0.819 0.940 15 15
SER A 16 0.997 0.999 0.695 16 16
ARG A 17 0.999 0.999 1.000 0.998 0.997 0.932 1.000 17 17
ASP A 18 0.998 0.986 0.610 0.996 18 18
TRP A 19 0.997 0.999 0.998 0.999 19 19
PHE A 20 0.990 0.995 0.930 0.998 20 20
MET A 21 0.995 0.989 0.845 0.918 0.528 21 21
LEU A 22 0.973 0.979 0.715 0.762 22 22
MET A 23 0.995 0.998 1.000 0.997 0.849 23 23
PRO A 24 0.993 0.998 0.911 0.823 24 24
LYS A 25 0.990 0.997 0.997 0.751 0.876 0.930 25 25
GLN A 26 0.996 0.995 1.000 0.751 0.942 26 26
LYS A 27 0.994 0.999 0.996 0.781 0.999 0.877 27 27
VAL A 28 0.997 0.999 1.000 28 28
GLU A 29 0.999 1.000 0.999 1.000 1.000 29 29
GLY A 30 0.999 0.999 30 30
PRO A 31 0.998 0.996 0.999 1.000 31 31
LEU A 32 0.997 0.999 0.992 0.764 32 32
CYS A 33 0.998 0.999 1.000 33 33
ILE A 34 1.000 0.999 1.000 1.000 34 34
ARG A 35 0.997 0.999 0.923 0.996 0.774 0.821 1.000 35 35
ILE A 36 0.997 0.998 0.874 0.738 36 36
ASP A 37 0.999 0.998 0.999 0.971 37 37
GLN A 38 0.999 0.998 1.000 0.999 0.888 38 38
ALA A 39 0.995 0.985 39 39
ILE A 40 0.990 0.995 0.991 0.486 40 40
MET A 41 0.997 0.999 0.999 1.000 0.833 41 41
ASP A 42 0.998 0.998 1.000 1.000 42 42
LYS A 43 0.999 0.999 0.999 0.999 0.999 0.942 43 43
ASN A 44 0.999 0.999 0.999 0.942 44 44
ILE A 45 0.999 0.999 1.000 1.000 45 45
MET A 46 0.999 0.999 0.993 0.997 0.725 46 46
LEU A 47 0.997 0.993 0.999 1.000 47 47
LYS A 48 0.998 0.998 0.998 0.841 0.454 0.859 48 48
ALA A 49 0.995 0.995 49 49
ASN A 50 0.998 0.996 0.996 0.947 50 50
PHE A 51 0.998 0.999 1.000 0.999 51 51
SER A 52 0.999 0.998 0.929 52 52
VAL A 53 0.999 0.998 0.999 53 53
ILE A 54 0.996 0.995 0.997 0.729 54 54
PHE A 55 0.999 0.933 0.999 0.808 55 55
ASP A 56 0.911 0.996 0.769 0.879 56 56
ARG A 57 0.995 0.997 0.998 0.642 0.935 0.894 1.000 57 57
LEU A 58 0.998 0.998 0.995 0.999 58 58
GLU A 59 0.999 0.999 0.999 0.998 0.939 59 59
THR A 60 0.998 0.999 1.000 60 60
LEU A 61 1.000 1.000 0.999 1.000 61 61
ILE A 62 1.000 0.999 1.000 1.000 62 62
LEU A 63 1.000 0.999 0.999 1.000 63 63
LEU A 64 0.999 0.999 0.998 1.000 64 64
ARG A 65 0.997 0.996 0.513 0.990 0.223 0.660 0.995 65 65
ALA A 66 0.995 0.999 66 66
PHE A 67 0.965 0.996 0.492 0.599 67 67
THR A 68 0.997 0.997 1.000 68 68
GLU A 69 0.999 0.998 0.383 0.995 0.868 69 69
GLU A 70 0.998 0.999 1.000 1.000 0.928 70 70
GLY A 71 0.999 0.997 71 71
ALA A 72 0.998 0.995 72 72
ILE A 73 0.997 0.999 1.000 0.954 73 73
VAL A 74 0.999 0.994 1.000 74 74
GLY A 75 0.996 0.999 75 75
GLU A 76 0.999 0.999 0.997 0.999 0.784 76 76
ILE A 77 0.999 0.999 1.000 0.999 77 77
SER A 78 0.998 0.994 0.724 78 78
PRO A 79 0.995 0.999 0.915 0.818 79 79
LEU A 80 0.990 0.997 1.000 1.000 80 80
PRO A 81 0.995 0.758 0.940 0.885
SER A 82 0.747 0.966 0.705
PHE A 83 0.992 0.944 0.998 0.993 83 83
PRO A 84 0.978 0.852 0.921 0.886 84
GLY A 85 0.633 0.722
HIS A 86 0.944 0.982 0.929 0.899 86 86
THR A 87 0.995 0.999 1.000 87 87
ILE A 88 0.999 1.000 0.999 1.000 88 88
GLU A 89 0.999 0.999 1.000 0.648 0.937 89 89
ASP A 90 0.996 0.999 0.999 0.991 90 90
VAL A 91 0.999 0.998 1.000 91 91
LYS A 92 0.999 0.994 0.492 0.998 0.861 0.785 92 92
ASN A 93 0.997 1.000 1.000 0.999 93 93
ALA A 94 1.000 0.999 94 94
ILE A 95 1.000 0.999 1.000 1.000 95 95
GLY A 96 1.000 0.999 96 96
VAL A 97 1.000 1.000 1.000 97 97
LEU A 98 0.999 0.998 0.999 0.999 98 98
ILE A 99 1.000 0.998 0.946 1.000 99 99
GLY A 100 0.999 1.000 100 100
GLY A 101 1.000 1.000 101 101
LEU A 102 1.000 0.999 1.000 1.000 102 102
GLU A 103 1.000 0.999 1.000 0.856 0.984 103 103
ARG A 104 1.000 0.999 1.000 0.999 0.930 0.665 1.000 104 104
ASN A 105 0.987 0.972 0.995 0.679 105 105
ASP A 106 0.996 0.990 0.840 0.924 106 106
ASN A 107 0.990 0.981 0.485 0.617 107 107
THR A 108 0.996 0.994 1.000 108 108
VAL A 109 0.997 0.998 0.544 109 109
ARG A 110 0.994 0.999 0.999 1.000 0.933 0.999 1.000 110 110
VAL A 111 0.998 0.999 1.000 111 111
SER A 112 0.997 0.996 0.754 112 112
LYS A 113 0.998 0.998 0.640 0.999 1.000 1.000 113 113
THR A 114 0.996 0.992 0.999 114 114
LEU A 115 0.997 0.998 0.999 1.000 115 115
GLN A 116 0.998 0.991 0.999 0.997 0.967 116 116
ARG A 117 0.997 0.984 0.607 0.650 0.865 0.822 0.999 117 117
PHE A 118 0.993 0.996 0.998 0.400 118 118
ALA A 119 0.993 0.996 119 119
TRP A 120 0.987 0.756 0.994 0.993
GLY A 121 0.671 0.240
SER A 122 0.569 0.663 0.490
SER A 123 0.849 0.383 0.294
ASN A 124 0.503 0.566 0.408 0.858
GLU A 125 0.851 0.746 0.544 0.556 0.878
ASN A 126 0.867 0.566 0.327 0.855
GLY A 127 0.354 0.018
ARG A 128 0.418 0.916 0.839 0.738 0.933 0.840 1.000
PRO A 129 0.991 0.985 0.914 0.833 129 129
PRO A 130 0.995 0.942 0.910 0.820 130 130
LEU A 131 0.985 0.837 0.998 1.000 131
THR A 132 0.974 0.883 0.856 132
LEU A 133 0.966 0.952 0.999 0.999 133 133
GLU A 134 0.939 0.696 1.000 1.000
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 `OR8C_R3Cons_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 1 is: 2.148
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 2 is: 2.257
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 3 is: 2.873
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 4 is: 3.086
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 5 is: 1.979
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 6 is: 2.939
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 7 is: 3.119
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 8 is: 3.851
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 9 is: 3.967
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 10 is: 1.858
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 11 is: 2.631
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 12 is: 3.920
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 13 is: 2.541
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 14 is: 2.302
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 15 is: 1.728 (*)
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 16 is: 1.819
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 17 is: 2.420
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 18 is: 2.785
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 19 is: 2.526
> Kabsch RMSD of backbone atoms in res. A[5..80],A[86..119],A[129..130],for model 20 is: 2.316
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[5..80],[86..119],[129..130], is: 2.653
> Range of RMSD values to reference struct. is 1.728 to 3.967
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 1 is: 2.128
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 2 is: 2.217
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 3 is: 2.735
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 4 is: 2.986
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 5 is: 1.972
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 6 is: 2.794
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 7 is: 2.965
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 8 is: 3.675
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 9 is: 3.795
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 10 is: 1.849
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 11 is: 2.515
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 12 is: 3.765
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 13 is: 2.500
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 14 is: 2.258
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 15 is: 1.754 (*)
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 16 is: 1.843
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 17 is: 2.366
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 18 is: 2.704
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 19 is: 2.474
> Kabsch RMSD of heavy atoms in res. A[5..80],A[86..119],A[129..130],for model 20 is: 2.287
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[5..80],[86..119],[129..130], is: 2.579
> Range of RMSD values to reference struct. is 1.754 to 3.795
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..134],for model 1 is: 3.945
> Kabsch RMSD of backb atoms in res. *[1..134],for model 2 is: 4.406
> Kabsch RMSD of backb atoms in res. *[1..134],for model 3 is: 5.772
> Kabsch RMSD of backb atoms in res. *[1..134],for model 4 is: 6.038
> Kabsch RMSD of backb atoms in res. *[1..134],for model 5 is: 3.878
> Kabsch RMSD of backb atoms in res. *[1..134],for model 6 is: 6.285
> Kabsch RMSD of backb atoms in res. *[1..134],for model 7 is: 6.162
> Kabsch RMSD of backb atoms in res. *[1..134],for model 8 is: 8.040
> Kabsch RMSD of backb atoms in res. *[1..134],for model 9 is: 7.466
> Kabsch RMSD of backb atoms in res. *[1..134],for model 10 is: 3.921
> Kabsch RMSD of backb atoms in res. *[1..134],for model 11 is: 5.966
> Kabsch RMSD of backb atoms in res. *[1..134],for model 12 is: 7.495
> Kabsch RMSD of backb atoms in res. *[1..134],for model 13 is: 5.058
> Kabsch RMSD of backb atoms in res. *[1..134],for model 14 is: 5.321
> Kabsch RMSD of backb atoms in res. *[1..134],for model 15 is: 3.413 (*)
> Kabsch RMSD of backb atoms in res. *[1..134],for model 16 is: 4.042
> Kabsch RMSD of backb atoms in res. *[1..134],for model 17 is: 5.326
> Kabsch RMSD of backb atoms in res. *[1..134],for model 18 is: 5.390
> Kabsch RMSD of backb atoms in res. *[1..134],for model 19 is: 4.652
> Kabsch RMSD of backb atoms in res. *[1..134],for model 20 is: 4.684
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..134], is: 5.363
> Range of RMSD values to reference struct. is 3.413 to 8.040
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 1 is: 4.139
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 2 is: 4.642
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 3 is: 5.914
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 4 is: 6.117
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 5 is: 4.139
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 6 is: 6.462
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 7 is: 6.414
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 8 is: 8.350
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 9 is: 7.768
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 10 is: 4.058
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 11 is: 6.280
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 12 is: 7.852
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 13 is: 5.350
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 14 is: 5.589
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 15 is: 3.623 (*)
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 16 is: 4.095
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 17 is: 5.505
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 18 is: 5.448
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 19 is: 4.807
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 20 is: 4.917
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..134], is: 5.573
> Range of RMSD values to reference struct. is 3.623 to 8.350
Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues
RMSD Values
all residues ordered residues selected residues
All backbone atoms 5.4 4.7 4.0
All heavy atoms 5.6 4.6 3.9
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 >>>----------+
| |
| OR8C_R3Cons_em_bcr3_020.rin 0.0 2300 residues |
| |
*| Ramachandran plot: 89.6% core 10.2% allow 0.0% gener 0.1% disall |
| |
+| All Ramachandrans: 25 labelled residues (out of2300) |
+| Chi1-chi2 plots: 8 labelled residues (out of1540) |
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
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
4 -0.96
5 -0.56
6 0.12
7 0.33
8 -2.20
9 0.89
10 -0.62
11 -0.18
12 0.60
13 0.65
14 0.50
15 0.97
16 -0.47
17 -0.43
18 -0.32
19 -0.34
20 0.17
21 -0.33
22 0.02
23 -1.85
24 -0.01
25 -0.36
26 -0.71
27 -0.31
28 0.24
29 -2.11
30 -0.15
31 -1.78
32 -0.34
33 0.14
34 0.24
35 -0.42
36 -0.30
37 -0.07
38 -0.21
39 0.21
40 -0.64
41 -0.32
42 -0.33
43 -0.35
44 -0.02
45 0.50
46 -0.21
47 -0.27
48 -0.30
49 -0.56
50 -0.36
51 -0.87
52 -0.59
53 0.23
54 -0.98
55 -1.81
56 -0.86
57 -0.30
58 -0.85
59 -2.10
60 0.04
61 -0.17
62 -1.96
63 -2.29
64 -0.26
65 -0.17
66 -1.19
67 0.15
68 -0.36
69 0.16
70 -0.44
71 0.96
72 -0.70
73 -0.22
74 -1.89
75 -0.36
76 -1.09
77 0.30
78 -0.28
79 0.47
80 -0.18
86 -0.32
87 -0.40
88 -0.25
89 0.77
90 1.00
91 0.78
92 1.05
93 1.23
94 0.88
95 0.98
96 1.22
97 1.00
98 0.78
99 0.98
100 0.95
101 1.20
102 0.93
103 0.83
104 0.53
105 0.36
106 -0.94
107 -1.10
108 0.24
109 0.30
110 -0.15
111 0.02
112 -0.21
113 0.66
114 0.80
115 0.92
116 0.84
117 0.12
118 -2.42
119 -2.90
129 0.30
130 -0.11
131 -1.17
132 -0.71
#Reported_Model_Average -0.186
#Overall_Average_Reported -0.186
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
4 -0.44
5 0.11
6 0.15
7 0.15
8 -1.01
9 0.63
10 -0.16
11 0.15
12 0.75
13 0.93
14 0.44
15 0.12
16 0.08
17 0.14
18 0.24
19 -0.47
20 -0.17
21 0.22
22 -0.14
23 -0.59
24 -0.01
25 0.07
26 -0.05
27 0.12
28 0.56
29 -1.17
30 -0.15
31 -1.78
32 -0.30
33 0.26
34 0.02
35 0.29
36 0.06
37 0.10
38 0.39
39 0.21
40 -1.23
41 0.25
42 0.08
43 -0.01
44 0.58
45 0.69
46 -0.23
47 0.04
48 0.31
49 -0.56
50 -0.03
51 -0.75
52 0.04
53 0.39
54 -0.99
55 -0.79
56 -0.28
57 -0.54
58 -1.00
59 -0.73
60 0.22
61 0.18
62 -0.57
63 -0.94
64 -0.68
65 0.32
66 -1.19
67 0.09
68 0.03
69 0.24
70 0.40
71 0.96
72 -0.70
73 0.21
74 -1.18
75 -0.36
76 -0.21
77 0.49
78 -0.10
79 0.47
80 0.36
86 -0.29
87 -0.01
88 -0.38
89 0.92
90 0.78
91 0.75
92 0.82
93 1.16
94 0.88
95 0.94
96 1.22
97 0.86
98 0.65
99 0.91
100 0.95
101 1.20
102 0.88
103 0.92
104 0.79
105 0.67
106 -0.26
107 -0.31
108 0.53
109 0.17
110 0.28
111 0.21
112 -0.11
113 0.82
114 0.50
115 0.89
116 0.94
117 -0.34
118 -1.25
119 -2.90
129 0.30
130 -0.11
131 -0.18
132 -0.15
#Reported_Model_Average 0.058
#Overall_Average_Reported 0.058
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
4 0.34 0.59 0.17 0.59 0.34 0.34 0.34 0.34 0.59 0.59 0.59 0.34 0.34 0.59 0.17 0.34 0.34 0.17 0.59 0.34
5 0.19 -1.12 -1.12 -1.12 0.19 0.19 0.19 -1.12 0.19 -1.12 0.19 -1.12 0.19 0.19 0.19 0.19 -0.89 0.19 -1.12 -1.12
6 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.03 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 1.09 -0.30
7 1.50 1.50 1.07 1.07 1.07 1.07 1.07 1.07 0.26 1.07 1.07 1.50 1.07 0.26 1.07 1.07 1.07 1.07 1.07 1.07
8 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
9 0.34 0.34 0.34 0.34 0.34 0.51 0.51 0.51 0.51 0.34 0.34 0.34 0.34 0.34 0.51 0.34 0.34 0.34 0.34 0.51
10 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.91 1.00 1.00 0.91 1.00 1.00 1.00 1.00
11 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
12 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36
13 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60
14 -0.43 0.09 0.62 0.62 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 0.62 -0.58 0.09 0.62 -0.43 -0.43 -0.43 0.09 -0.43 -0.58
15 0.16 -0.46 0.16 -0.30 0.71 -0.30 -0.30 -0.30 -0.46 0.16 0.71 -0.30 -0.46 -0.30 -0.30 -0.30 0.71 -0.30 -0.46 0.16
16 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
17 0.71 0.24 0.71 0.71 0.24 0.24 0.71 0.24 0.24 0.24 0.71 0.24 0.71 0.71 0.24 0.24 0.24 0.24 0.71 0.71
18 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
19 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12
20 -1.63 -1.63 -1.63 -0.84 -1.63 -1.63 -1.63 -1.63 -1.63 -0.84 -1.63 -0.84 -1.63 -1.63 -1.63 -0.84 -1.63 -1.63 -1.63 -1.63
21 0.23 0.23 0.23 1.00 0.23 0.23 0.23 1.00 1.00 1.00 0.23 1.00 1.00 1.00 0.23 1.00 1.00 0.23 1.00 1.00
22 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.33 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.33
23 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83
24 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01
25 0.55 0.35 0.35 0.55 0.55 0.55 0.35 0.55 0.55 0.55 0.35 0.55 0.35 0.55 0.55 0.55 0.35 0.55 0.35 0.55
26 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
27 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
28 0.08 0.08 0.08 0.08 0.08 0.44 0.08 0.08 0.08 0.08 0.08 0.44 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
29 0.41 -0.68 -0.68 -0.68 -0.68 0.41 -0.68 0.41 -0.68 -0.68 -0.68 0.41 -0.68 -0.68 0.41 -0.68 -0.68 -0.68 -0.68 0.41
30 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
31 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 -0.07 0.64 0.64 0.64 0.64 0.64 0.64 -0.07
32 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.36 1.07 0.36
33 1.28 -0.04 1.28 1.28 -0.04 1.28 1.28 1.28 1.28 1.28 -0.87 1.28 1.28 1.28 1.28 1.28 1.28 -0.04 1.28 -0.87
34 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
35 0.19 0.19 0.19 0.19 0.19 0.84 0.84 0.84 0.84 0.19 0.19 0.84 0.19 0.84 0.84 0.19 0.19 0.19 0.19 0.84
36 1.07 0.26 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
37 -0.61 -1.80 -1.80 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -1.80 -0.61 -0.61 -1.80 -0.61
38 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
39 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
40 0.81 -0.28 0.81 -0.28 0.81 0.81 -0.28 0.81 0.81 0.81 0.81 0.81 0.81 0.81 -0.54 0.81 0.81 0.81 0.81 0.81
41 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 0.23 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83
42 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23
43 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
44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00
45 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
46 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.76 -0.40 -0.68 -0.76 -0.68 -0.68 -0.68 -0.76 -0.76 -0.68 -0.68 -0.68
47 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
48 0.35 0.35 0.35 0.55 -2.01 0.35 0.35 -2.01 -2.01 -2.01 0.35 0.35 -2.01 -2.01 0.35 0.35 0.35 0.35 -2.01 0.35
49 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
50 -0.26 -0.92 -0.26 -0.26 -0.26 -0.92 -0.92 -0.26 -0.26 -0.26 -0.26 -0.92 -0.92 -0.92 -0.26 -0.26 -0.26 -2.18 -0.26 -2.18
51 0.96 1.32 1.32 0.96 0.96 0.96 0.96 0.96 0.96 0.96 1.32 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
52 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
53 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
54 0.26 1.07 1.07 -0.35 0.26 0.09 0.26 0.26 0.26 0.26 1.07 1.07 0.09 1.07 0.26 0.26 0.26 0.26 -0.35 1.07
55 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84
56 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.51 0.51 0.51 0.23 0.23 0.51 0.23 0.23 0.23 0.23
57 0.19 0.84 0.84 0.19 0.19 0.84 0.19 0.19 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.84 0.84 0.19 0.19
58 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
59 0.41 -0.68 0.41 -0.20 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.20 0.41 0.41 0.41 0.41 -0.20 0.41
60 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 -0.17 0.79 0.79 0.79 0.79 0.79
61 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
62 -0.35 -0.35 -0.35 0.09 0.09 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 0.09 -0.35 0.09 0.09 -0.35 0.09 -0.35
63 0.14 0.14 0.14 0.36 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.36 0.14 0.36 0.14 0.36 0.14 0.14 0.14 0.14
64 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
65 -0.41 -0.41 -0.41 -1.52 -0.41 0.84 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41
66 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
67 0.37 1.32 1.32 0.37 0.37 0.37 0.37 0.37 0.37 1.32 1.32 1.32 1.32 0.37 0.37 1.32 1.32 1.32 1.32 1.32
68 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
69 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.28
70 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.04 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.04
71 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
72 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
73 1.07 1.07 0.26 0.26 1.07 1.07 0.26 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.26 1.07 1.07 1.07 1.07 1.07
74 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
76 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.20 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.20 -0.42 -0.42 -0.42
77 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
78 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
79 -0.65 -1.01 -0.65 -0.65 -1.01 -1.01 -0.65 -1.01 -1.01 -1.01 -1.01 -1.01 -0.65 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01
80 -0.33 0.29 -0.33 0.77 0.29 -0.33 0.29 0.77 0.29 0.77 0.29 -0.33 -0.33 -0.33 -0.33 -0.33 0.77 0.77 0.77 0.29
86 0.54 0.54 -0.61 -0.61 0.54 0.54 0.54 0.54 -0.61 0.54 -0.61 -0.61 0.54 -0.61 0.54 -0.61 -0.61 -0.61 -0.61 0.54
87 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 0.55 0.08 0.08 0.08 0.08 0.08 0.08
88 -0.02 0.55 -0.02 0.55 0.55 0.55 -0.02 -0.02 -0.02 -0.02 0.55 -0.02 -0.02 0.55 -0.02 0.55 0.55 -0.02 -0.02 -0.02
89 0.62 0.62 0.60 0.60 0.62 0.62 0.62 0.62 0.60 0.09 0.62 0.62 0.60 0.62 0.60 0.62 0.62 0.62 0.62 0.62
90 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28
91 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
92 0.56 0.56 0.66 0.56 0.66 0.66 0.66 0.66 0.66 0.56 0.56 0.66 0.66 0.66 0.56 0.66 0.56 0.56 0.56 0.56
93 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 0.32 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 -0.02 -0.02 -0.02 -0.02
94 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
95 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
96 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
97 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30
98 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
99 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 0.55 1.11 1.11 1.11 0.55 1.11 1.11 1.11 0.55 1.11
100 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
101 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
102 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
103 0.62 0.62 0.62 0.09 0.62 0.62 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.58 0.62 0.62 0.62
104 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 0.56 0.56 -0.20 -0.20
105 0.09 -0.26 -0.56 -0.26 -0.56 0.09 -0.26 -0.26 -0.26 -0.26 -0.56 -0.26 -0.56 -0.26 -0.26 -0.26 -0.26 0.09 -0.56 -0.26
106 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.23 0.23
107 -0.56 -0.56 -0.56 -0.56 0.09 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56
108 -0.17 -0.17 0.79 -0.17 -0.17 -0.17 -0.17 -0.17 0.79 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 0.79 -0.17 -0.17 -0.17
109 0.44 1.18 0.44 1.18 0.44 0.44 1.18 0.44 0.44 1.18 1.18 0.44 0.44 1.18 1.18 0.71 1.18 0.71 1.18 1.18
110 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19 0.19 -1.12 0.84 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19
111 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
112 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.17 0.17 0.59 0.17 0.59 0.59 0.59 0.59 0.17
113 0.07 0.07 0.07 0.07 0.07 0.66 0.07 0.56 0.66 0.66 0.07 0.66 0.07 0.07 0.07 0.66 0.66 0.07 0.07 0.07
114 -0.13 0.39 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 0.39 -0.13 0.39 0.39 0.39
115 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
116 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 0.16 0.62 0.62 0.62 0.62 -0.32 0.62 0.62 0.62
117 0.56 0.56 -0.51 -0.51 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 1.10 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56
118 0.87 1.28 0.87 0.87 0.87 0.87 0.87 0.87 0.87 0.87 1.28 1.28 0.87 0.87 0.87 0.87 0.87 1.28 0.87 0.87
119 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
129 0.25 0.25 0.25 0.44 0.25 0.25 0.44 0.44 0.25 0.25 0.44 0.25 0.25 0.64 0.25 0.25 0.25 0.44 0.25 0.25
130 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.44 0.44 0.44 0.25 0.25
131 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -0.68 -1.14 -1.14 -1.14 -0.68 -0.68 -1.14 0.77 -1.14 0.29 -0.68 -1.14 -1.14 -1.14
132 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
#Reported_Model_Average 0.363 0.327 0.340 0.334 0.335 0.386 0.354 0.340 0.344 0.350 0.365 0.382 0.328 0.372 0.329 0.386 0.378 0.330 0.318 0.336
#Overall_Average_Reported 0.350
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
4 0.34 0.59 0.17 0.59 0.34 0.34 0.34 0.34 0.59 0.59 0.59 0.34 0.34 0.59 0.17 0.34 0.34 0.17 0.59 0.34
5 0.19 -1.12 -1.12 -1.12 0.19 0.19 0.19 -1.12 0.19 -1.12 0.19 -1.12 0.19 0.19 0.19 0.19 -0.89 0.19 -1.12 -1.12
6 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.03 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 1.09 -0.30
7 1.50 1.50 1.07 1.07 1.07 1.07 1.07 1.07 0.26 1.07 1.07 1.50 1.07 0.26 1.07 1.07 1.07 1.07 1.07 1.07
8 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
9 0.34 0.34 0.34 0.34 0.34 0.51 0.51 0.51 0.51 0.34 0.34 0.34 0.34 0.34 0.51 0.34 0.34 0.34 0.34 0.51
10 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.91 1.00 1.00 0.91 1.00 1.00 1.00 1.00
11 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
12 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36
13 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60
14 -0.43 0.09 0.62 0.62 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 0.62 -0.58 0.09 0.62 -0.43 -0.43 -0.43 0.09 -0.43 -0.58
15 0.16 -0.46 0.16 -0.30 0.71 -0.30 -0.30 -0.30 -0.46 0.16 0.71 -0.30 -0.46 -0.30 -0.30 -0.30 0.71 -0.30 -0.46 0.16
16 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
17 0.71 0.24 0.71 0.71 0.24 0.24 0.71 0.24 0.24 0.24 0.71 0.24 0.71 0.71 0.24 0.24 0.24 0.24 0.71 0.71
18 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
19 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12
20 -1.63 -1.63 -1.63 -0.84 -1.63 -1.63 -1.63 -1.63 -1.63 -0.84 -1.63 -0.84 -1.63 -1.63 -1.63 -0.84 -1.63 -1.63 -1.63 -1.63
21 0.23 0.23 0.23 1.00 0.23 0.23 0.23 1.00 1.00 1.00 0.23 1.00 1.00 1.00 0.23 1.00 1.00 0.23 1.00 1.00
22 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.33 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.33
23 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83
24 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01
25 0.55 0.35 0.35 0.55 0.55 0.55 0.35 0.55 0.55 0.55 0.35 0.55 0.35 0.55 0.55 0.55 0.35 0.55 0.35 0.55
26 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
27 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
28 0.08 0.08 0.08 0.08 0.08 0.44 0.08 0.08 0.08 0.08 0.08 0.44 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
29 0.41 -0.68 -0.68 -0.68 -0.68 0.41 -0.68 0.41 -0.68 -0.68 -0.68 0.41 -0.68 -0.68 0.41 -0.68 -0.68 -0.68 -0.68 0.41
30 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
31 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 -0.07 0.64 0.64 0.64 0.64 0.64 0.64 -0.07
32 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.36 1.07 0.36
33 1.28 -0.04 1.28 1.28 -0.04 1.28 1.28 1.28 1.28 1.28 -0.87 1.28 1.28 1.28 1.28 1.28 1.28 -0.04 1.28 -0.87
34 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
35 0.19 0.19 0.19 0.19 0.19 0.84 0.84 0.84 0.84 0.19 0.19 0.84 0.19 0.84 0.84 0.19 0.19 0.19 0.19 0.84
36 1.07 0.26 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
37 -0.61 -1.80 -1.80 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -1.80 -0.61 -0.61 -1.80 -0.61
38 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
39 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
40 0.81 -0.28 0.81 -0.28 0.81 0.81 -0.28 0.81 0.81 0.81 0.81 0.81 0.81 0.81 -0.54 0.81 0.81 0.81 0.81 0.81
41 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 0.23 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83
42 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23
43 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
44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00
45 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
46 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.76 -0.40 -0.68 -0.76 -0.68 -0.68 -0.68 -0.76 -0.76 -0.68 -0.68 -0.68
47 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
48 0.35 0.35 0.35 0.55 -2.01 0.35 0.35 -2.01 -2.01 -2.01 0.35 0.35 -2.01 -2.01 0.35 0.35 0.35 0.35 -2.01 0.35
49 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
50 -0.26 -0.92 -0.26 -0.26 -0.26 -0.92 -0.92 -0.26 -0.26 -0.26 -0.26 -0.92 -0.92 -0.92 -0.26 -0.26 -0.26 -2.18 -0.26 -2.18
51 0.96 1.32 1.32 0.96 0.96 0.96 0.96 0.96 0.96 0.96 1.32 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
52 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
53 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
54 0.26 1.07 1.07 -0.35 0.26 0.09 0.26 0.26 0.26 0.26 1.07 1.07 0.09 1.07 0.26 0.26 0.26 0.26 -0.35 1.07
55 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84
56 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.51 0.51 0.51 0.23 0.23 0.51 0.23 0.23 0.23 0.23
57 0.19 0.84 0.84 0.19 0.19 0.84 0.19 0.19 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.84 0.84 0.19 0.19
58 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
59 0.41 -0.68 0.41 -0.20 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.20 0.41 0.41 0.41 0.41 -0.20 0.41
60 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 -0.17 0.79 0.79 0.79 0.79 0.79
61 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
62 -0.35 -0.35 -0.35 0.09 0.09 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 0.09 -0.35 0.09 0.09 -0.35 0.09 -0.35
63 0.14 0.14 0.14 0.36 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.36 0.14 0.36 0.14 0.36 0.14 0.14 0.14 0.14
64 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
65 -0.41 -0.41 -0.41 -1.52 -0.41 0.84 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41
66 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
67 0.37 1.32 1.32 0.37 0.37 0.37 0.37 0.37 0.37 1.32 1.32 1.32 1.32 0.37 0.37 1.32 1.32 1.32 1.32 1.32
68 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
69 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.28
70 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.04 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.04
71 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
72 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
73 1.07 1.07 0.26 0.26 1.07 1.07 0.26 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.26 1.07 1.07 1.07 1.07 1.07
74 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
76 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.20 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.20 -0.42 -0.42 -0.42
77 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
78 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
79 -0.65 -1.01 -0.65 -0.65 -1.01 -1.01 -0.65 -1.01 -1.01 -1.01 -1.01 -1.01 -0.65 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01
80 -0.33 0.29 -0.33 0.77 0.29 -0.33 0.29 0.77 0.29 0.77 0.29 -0.33 -0.33 -0.33 -0.33 -0.33 0.77 0.77 0.77 0.29
86 0.54 0.54 -0.61 -0.61 0.54 0.54 0.54 0.54 -0.61 0.54 -0.61 -0.61 0.54 -0.61 0.54 -0.61 -0.61 -0.61 -0.61 0.54
87 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 0.55 0.08 0.08 0.08 0.08 0.08 0.08
88 -0.02 0.55 -0.02 0.55 0.55 0.55 -0.02 -0.02 -0.02 -0.02 0.55 -0.02 -0.02 0.55 -0.02 0.55 0.55 -0.02 -0.02 -0.02
89 0.62 0.62 0.60 0.60 0.62 0.62 0.62 0.62 0.60 0.09 0.62 0.62 0.60 0.62 0.60 0.62 0.62 0.62 0.62 0.62
90 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28
91 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
92 0.56 0.56 0.66 0.56 0.66 0.66 0.66 0.66 0.66 0.56 0.56 0.66 0.66 0.66 0.56 0.66 0.56 0.56 0.56 0.56
93 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 0.32 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 -0.02 -0.02 -0.02 -0.02
94 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
95 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
96 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
97 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30
98 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
99 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 0.55 1.11 1.11 1.11 0.55 1.11 1.11 1.11 0.55 1.11
100 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
101 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
102 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
103 0.62 0.62 0.62 0.09 0.62 0.62 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.58 0.62 0.62 0.62
104 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 0.56 0.56 -0.20 -0.20
105 0.09 -0.26 -0.56 -0.26 -0.56 0.09 -0.26 -0.26 -0.26 -0.26 -0.56 -0.26 -0.56 -0.26 -0.26 -0.26 -0.26 0.09 -0.56 -0.26
106 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.23 0.23
107 -0.56 -0.56 -0.56 -0.56 0.09 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56
108 -0.17 -0.17 0.79 -0.17 -0.17 -0.17 -0.17 -0.17 0.79 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 0.79 -0.17 -0.17 -0.17
109 0.44 1.18 0.44 1.18 0.44 0.44 1.18 0.44 0.44 1.18 1.18 0.44 0.44 1.18 1.18 0.71 1.18 0.71 1.18 1.18
110 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19 0.19 -1.12 0.84 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19
111 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
112 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.17 0.17 0.59 0.17 0.59 0.59 0.59 0.59 0.17
113 0.07 0.07 0.07 0.07 0.07 0.66 0.07 0.56 0.66 0.66 0.07 0.66 0.07 0.07 0.07 0.66 0.66 0.07 0.07 0.07
114 -0.13 0.39 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 0.39 -0.13 0.39 0.39 0.39
115 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
116 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 0.16 0.62 0.62 0.62 0.62 -0.32 0.62 0.62 0.62
117 0.56 0.56 -0.51 -0.51 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 1.10 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56
118 0.87 1.28 0.87 0.87 0.87 0.87 0.87 0.87 0.87 0.87 1.28 1.28 0.87 0.87 0.87 0.87 0.87 1.28 0.87 0.87
119 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
129 0.25 0.25 0.25 0.44 0.25 0.25 0.44 0.44 0.25 0.25 0.44 0.25 0.25 0.64 0.25 0.25 0.25 0.44 0.25 0.25
130 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.44 0.44 0.44 0.25 0.25
131 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -0.68 -1.14 -1.14 -1.14 -0.68 -0.68 -1.14 0.77 -1.14 0.29 -0.68 -1.14 -1.14 -1.14
132 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
#Reported_Model_Average 0.363 0.327 0.340 0.334 0.335 0.386 0.354 0.340 0.344 0.350 0.365 0.382 0.328 0.372 0.329 0.386 0.378 0.330 0.318 0.336
#Overall_Average_Reported 0.350
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
4.000 0 0 0 1 0 0 0 0 0 0 1 0 0 1 2 0 3 1 1 0
5.000 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0
6.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
7.000 0 0 0 0 0 0 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 0 0 0 0 0
9.000 1 1 1 1 1 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0
10.000 1 0 1 0 1 0 0 1 0 0 1 0 1 0 0 1 1 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 1 0 0 0 0 0 0 0 0 2 0 0 1 2 0 1 0
15.000 6 4 1 4 0 7 2 4 7 2 1 2 6 6 4 6 0 1 4 1
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 1 1 1 0 1 0 0 0 0 0 0 0 0 1 1 0 1 0
18.000 0 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 1 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 1 0 0 0 2 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0
22.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
23.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
24.000 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0
25.000 0 0 1 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0
26.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
27.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
28.000 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
31.000 0 0 1 0 0 0 0 1 1 0 1 0 1 0 1 1 1 0 0 0
32.000 0 0 1 1 0 0 0 0 1 0 1 0 1 0 2 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
35.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
36.000 0 0 2 0 0 1 1 0 0 0 0 1 1 0 0 0 0 0 0 1
37.000 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0
38.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
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 1 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
43.000 0 0 0 0 1 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 1 0 0 0 0 0 0 0
45.000 0 0 0 0 2 0 1 0 1 1 0 0 0 1 1 0 1 0 2 1
46.000 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0
47.000 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0
48.000 0 0 1 0 1 0 2 0 1 0 1 1 0 0 0 0 0 1 0 0
49.000 4 2 0 2 1 0 0 0 0 0 0 1 0 0 2 0 0 0 0 0
50.000 0 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 1 0 0 0 0 0 0 0 1 1 0 0
52.000 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
53.000 0 0 0 1 1 0 0 0 0 0 2 0 0 0 0 1 0 1 2 0
54.000 0 0 1 0 1 0 1 1 0 0 1 0 1 1 1 0 1 0 2 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
57.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
58.000 0 1 2 0 0 2 0 0 2 0 0 0 3 0 2 0 0 0 0 1
59.000 0 1 1 0 1 0 0 1 0 0 2 0 1 1 0 0 1 0 0 0
60.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
61.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0
62.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
63.000 0 0 1 0 0 1 0 0 1 2 1 1 0 0 0 0 0 1 0 1
64.000 3 3 3 2 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3
65.000 3 0 4 4 3 0 2 1 0 1 1 1 1 2 2 1 0 4 1 0
66.000 0 0 0 0 1 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0
67.000 0 2 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0
68.000 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0
69.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
70.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
71.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
72.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
73.000 0 2 2 0 1 0 1 0 0 1 0 1 0 0 0 0 0 0 2 0
74.000 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
77.000 2 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1
78.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
79.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0
80.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
86.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
87.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
88.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
89.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
90.000 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 0 0 0 0 0 0 0 0 0 0
92.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
93.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
94.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
95.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
96.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
97.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
98.000 1 0 1 0 2 1 0 0 0 0 0 0 0 1 1 0 0 0 1 1
99.000 0 0 0 0 0 1 1 1 0 1 0 1 1 0 0 1 0 1 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 1 0 0 0 1 0 0 1 0 1 1
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 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
108.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
109.000 0 0 0 0 0 1 1 1 0 1 0 1 1 0 0 1 0 1 0 0
110.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
111.000 1 0 0 0 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0
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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
115.000 1 1 0 0 1 0 0 0 1 0 1 1 1 0 1 0 0 0 0 0
116.000 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1
117.000 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0
118.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
119.000 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1
129.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
130.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
131.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
132.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.235 0.174 0.235 0.191 0.287 0.165 0.209 0.183 0.235 0.130 0.235 0.183 0.261 0.191 0.261 0.174 0.174 0.200 0.278 0.113
#Overall_Average_Reported 0.206
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 15 LEU 3HD2 :A 15 LEU O : -0.614: 0
: 2137:A 15 LEU 3HD2 :A 15 LEU C : -0.610: 0
: 2137:A 15 LEU C :A 15 LEU CD2 : -0.428: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.534: 0
: 2137:A 9 ASP 2HB :A 49 ALA O : -0.526: 0
: 2137:A 49 ALA 3HB :A 115 LEU 1HD2 : -0.515: 0
: 2137:A 98 LEU 1HB :A 77 ILE 1HD1 : -0.507: 0
: 2137:A 64 LEU HG :A 49 ALA 2HB : -0.443: 0
: 2137:A 64 LEU CG :A 49 ALA 2HB : -0.425: 0
: 2137:A 65 ARG 1HH1 :A 65 ARG 2HG : -0.533: 0
: 2137:A 10 MET SD :A 65 ARG 2HB : -0.404: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.477: 0
: 2137:A 21 MET 2HG :A 37 ASP 1HB : -0.470: 0
: 2137:A 111 VAL 2HG2 :A 47 LEU 2HD1 : -0.434: 0
#sum2 ::6.55 clashscore : 6.55 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240567 potential dots:15040.0 A^2:14 bumps:14 bumps B<40:760.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 15 LEU 3HD2 :A 15 LEU O : -0.626: 0
: 2137:A 15 LEU 3HD2 :A 15 LEU C : -0.456: 0
: 2137:A 58 LEU 3HD1 :A 119 ALA 2HB : -0.503: 0
: 2137:A 9 ASP 2HB :A 49 ALA O : -0.496: 0
: 2137:A 49 ALA 3HB :A 115 LEU 1HD2 : -0.421: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.493: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.483: 0
: 2137:A 67 PHE 2HB :A 73 ILE HA : -0.445: 0
: 2137:A 67 PHE 2HB :A 73 ILE 1HG1 : -0.404: 0
: 2137:A 59 GLU 2HB :A 52 SER OG : -0.402: 0
#sum2 ::4.68 clashscore : 4.68 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240668 potential dots:15040.0 A^2:10 bumps:10 bumps B<40:755.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.579: 0
: 2137:A 9 ASP 2HB :A 48 LYS 2HB : -0.514: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.513: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.468: 0
: 2137:A 65 ARG 1HH1 :A 65 ARG 2HG : -0.505: 0
: 2137:A 73 ILE 3HD1 :A 65 ARG 2HD : -0.455: 0
: 2137:A 73 ILE 1HD1 :A 17 ARG 2HD : -0.410: 0
: 2137:A 65 ARG 2HB :A 10 MET SD : -0.405: 0
: 2137:A 1 MET 2HB :A 2 PRO 1HD : -0.476: 0
: 2137:A 32 LEU 2HD1 :A 31 PRO 1HG : -0.465: 0
: 2137:A 54 ILE 2HG2 :A 59 GLU 1HB : -0.440: 0
: 2137:A 58 LEU C :A 58 LEU 3HD2 : -0.426: 0
: 2137:A 98 LEU 2HD1 :A 36 ILE 1HG1 : -0.416: 0
: 2137:A 36 ILE HB :A 25 LYS 2HB : -0.404: 0
: 2137:A 63 LEU 3HD2 :A 15 LEU CD2 : -0.402: 0
#sum2 ::7.02 clashscore : 7.02 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240613 potential dots:15040.0 A^2:15 bumps:15 bumps B<40:714.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 65 ARG 1HH1 :A 65 ARG 2HG : -0.633: 0
: 2137:A 65 ARG 2HG :A 65 ARG NH1 : -0.462: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.557: 0
: 2137:A 15 LEU 3HD2 :A 15 LEU C : -0.540: 0
: 2137:A 15 LEU 3HD2 :A 15 LEU O : -0.470: 0
: 2137:A 9 ASP 2HB :A 49 ALA O : -0.507: 0
: 2137:A 64 LEU HG :A 49 ALA 2HB : -0.479: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.476: 0
: 2137:A 1 MET 2HB :A 2 PRO 1HD : -0.469: 0
: 2137:A 52 SER 1HB :A 1 MET SD : -0.421: 0
: 2137:A 4 SER 2HB :A 53 VAL O : -0.459: 0
: 2137:A 14 GLU HA :A 17 ARG 1HB : -0.403: 0
: 2137:A 79 PRO HA :A 32 LEU 3HD2 : -0.403: 0
#sum2 ::6.08 clashscore : 6.08 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240624 potential dots:15040.0 A^2:13 bumps:13 bumps B<40:756.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 9 ASP 2HB :A 48 LYS 2HB : -0.538: 0
: 2137:A 65 ARG 2HB :A 10 MET SD : -0.536: 0
: 2137:A 65 ARG 1HH1 :A 65 ARG 2HG : -0.469: 0
: 2137:A 45 ILE 3HD1 :A 74 VAL 1HG2 : -0.528: 0
: 2137:A 68 THR 2HG2 :A 45 ILE 1HG1 : -0.406: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.520: 0
: 2137:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.493: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.478: 0
: 2137:A 98 LEU 1HB :A 77 ILE 1HD1 : -0.465: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.435: 0
: 2137:A 49 ALA 3HB :A 115 LEU 1HD2 : -0.434: 0
: 2137:A 5 ARG O :A 53 VAL N : -0.429: 0
: 2137:A 24 PRO 2HB :A 21 MET 2HB : -0.425: 0
: 2137:A 19 TRP CZ3 :A 21 MET SD : -0.415: 0
: 2137:A 54 ILE 2HG2 :A 59 GLU 1HB : -0.421: 0
: 2137:A 43 LYS 2HG :A 40 ILE 3HG2 : -0.410: 0
: 2137:A 73 ILE 1HD1 :A 17 ARG 2HD : -0.400: 0
#sum2 ::7.96 clashscore : 7.96 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240642 potential dots:15040.0 A^2:17 bumps:17 bumps B<40:723 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 15 LEU 3HD2 :A 15 LEU C : -0.611: 0
: 2137:A 15 LEU 3HD2 :A 15 LEU O : -0.577: 0
: 2137:A 15 LEU C :A 15 LEU CD2 : -0.435: 0
: 2137:A 63 LEU 3HD2 :A 15 LEU HG : -0.405: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.548: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.485: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.444: 0
: 2137:A 58 LEU C :A 58 LEU 3HD2 : -0.448: 0
: 2137:A 99 ILE 3HG2 :A 109 VAL 1HG2 : -0.408: 0
: 2137:A 98 LEU 2HD1 :A 36 ILE 1HD1 : -0.407: 0
#sum2 ::4.68 clashscore : 4.68 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240500 potential dots:15030.0 A^2:10 bumps:10 bumps B<40:780.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.562: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.532: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.531: 0
: 2137:A 46 MET 2HG :A 48 LYS 1HG : -0.505: 0
: 2137:A 67 PHE CE2 :A 48 LYS 2HG : -0.405: 0
: 2137:A 15 LEU 3HD2 :A 15 LEU C : -0.448: 0
: 2137:A 54 ILE 2HG1 :A 1 MET O : -0.435: 0
: 2137:A 73 ILE 1HD1 :A 17 ARG 2HD : -0.426: 0
: 2137:A 65 ARG 1HH1 :A 65 ARG 2HG : -0.422: 0
: 2137:A 68 THR 2HG2 :A 45 ILE 1HG1 : -0.418: 0
: 2137:A 36 ILE HB :A 25 LYS 2HB : -0.415: 0
: 2137:A 37 ASP 1HB :A 21 MET 1HG : -0.404: 0
: 2137:A 99 ILE 1HG1 :A 109 VAL 1HG1 : -0.401: 0
#sum2 ::6.08 clashscore : 6.08 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240595 potential dots:15040.0 A^2:13 bumps:13 bumps B<40:759 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.538: 0
: 2137:A 15 LEU 3HD2 :A 15 LEU C : -0.489: 0
: 2137:A 15 LEU O :A 15 LEU 3HD2 : -0.408: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.485: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.441: 0
: 2137:A 77 ILE 2HD1 :A 64 LEU 2HD2 : -0.407: 0
: 2137:A 10 MET SD :A 65 ARG 1HG : -0.451: 0
: 2137:A 54 ILE 2HG2 :A 59 GLU 1HB : -0.431: 0
: 2137:A 109 VAL 1HG2 :A 99 ILE 3HG2 : -0.431: 0
: 2137:A 80 LEU 2HD1 :A 31 PRO HA : -0.422: 0
: 2137:A 111 VAL 2HG2 :A 47 LEU 2HD1 : -0.403: 0
#sum2 ::5.15 clashscore : 5.15 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240663 potential dots:15040.0 A^2:11 bumps:11 bumps B<40:725.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 15 LEU 3HD2 :A 15 LEU O : -0.705: 0
: 2137:A 15 LEU 3HD2 :A 15 LEU C : -0.564: 0
: 2137:A 63 LEU 3HD2 :A 15 LEU HG : -0.447: 0
: 2137:A 15 LEU C :A 15 LEU CD2 : -0.411: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.562: 0
: 2137:A 118 PHE 2HB :A 58 LEU 1HB : -0.500: 0
: 2137:A 58 LEU 2HB :A 88 ILE 2HG1 : -0.406: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.496: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.467: 0
: 2137:A 32 LEU 2HD1 :A 31 PRO 1HG : -0.435: 0
: 2137:A 61 LEU 2HD1 :A 51 PHE 2HB : -0.434: 0
: 2137:A 67 PHE CD1 :A 48 LYS 2HE : -0.416: 0
: 2137:A 68 THR 2HG2 :A 45 ILE 1HG1 : -0.410: 0
: 2137:A 111 VAL 2HG1 :A 115 LEU 1HB : -0.400: 0
#sum2 ::6.55 clashscore : 6.55 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240685 potential dots:15040.0 A^2:14 bumps:14 bumps B<40:703.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 2 PRO O :A 3 ALA C : -0.628: 0
: 2137:A 2 PRO 2HD :A 1 MET 1HB : -0.486: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.527: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.518: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.462: 0
: 2137:A 99 ILE 1HG1 :A 109 VAL 1HG1 : -0.424: 0
: 2137:A 15 LEU 3HD2 :A 63 LEU 3HD2 : -0.423: 0
: 2137:A 15 LEU CD2 :A 63 LEU 3HD2 : -0.413: 0
: 2137:A 73 ILE 3HD1 :A 65 ARG 2HD : -0.421: 0
: 2137:A 102 LEU 2HD2 :A 45 ILE 2HD1 : -0.401: 0
#sum2 ::4.68 clashscore : 4.68 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240541 potential dots:15030.0 A^2:10 bumps:10 bumps B<40:754.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 124 ASN 1HB :A 123 SER O : -0.572: 0
: 2137:A 123 SER O :A 124 ASN CB : -0.414: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.531: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.524: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.479: 0
: 2137:A 9 ASP 2HB :A 48 LYS 2HB : -0.518: 0
: 2137:A 10 MET SD :A 65 ARG 1HB : -0.459: 0
: 2137:A 5 ARG O :A 53 VAL N : -0.455: 0
: 2137:A 4 SER 2HB :A 53 VAL O : -0.426: 0
: 2137:A 32 LEU 2HD1 :A 31 PRO 1HG : -0.446: 0
: 2137:A 15 LEU 3HD2 :A 63 LEU 3HD2 : -0.435: 0
: 2137:A 40 ILE 2HG1 :A 74 VAL HB : -0.428: 0
: 2137:A 54 ILE 2HG2 :A 59 GLU 1HB : -0.424: 0
: 2137:A 52 SER OG :A 59 GLU 2HB : -0.414: 0
: 2137:A 121 GLY O :A 122 SER C : -0.415: 0
: 2137:A 21 MET 1HB :A 24 PRO 2HG : -0.407: 0
: 2137:A 111 VAL 2HG1 :A 115 LEU 1HB : -0.407: 0
#sum2 ::7.96 clashscore : 7.96 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240459 potential dots:15030.0 A^2:17 bumps:17 bumps B<40:727.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 2 PRO 1HD :A 1 MET CB : -0.534: 0
: 2137:A 1 MET 2HB :A 2 PRO 1HD : -0.433: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.490: 0
: 2137:A 48 LYS 2HG :A 46 MET 2HG : -0.474: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.455: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.454: 0
: 2137:A 65 ARG 1HD :A 63 LEU 1HD2 : -0.442: 0
: 2137:A 15 LEU 3HD2 :A 15 LEU O : -0.439: 0
: 2137:A 117 ARG 2HD :A 117 ARG C : -0.427: 0
: 2137:A 25 LYS 2HB :A 36 ILE CG2 : -0.422: 0
: 2137:A 49 ALA 3HB :A 115 LEU 1HD2 : -0.420: 0
: 2137:A 66 ALA O :A 73 ILE HA : -0.404: 0
: 2137:A 109 VAL 1HG2 :A 99 ILE 3HG2 : -0.404: 0
#sum2 ::6.08 clashscore : 6.08 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240410 potential dots:15030.0 A^2:13 bumps:13 bumps B<40:822.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 15 LEU 3HD2 :A 15 LEU O : -0.710: 0
: 2137:A 15 LEU 3HD2 :A 15 LEU C : -0.538: 0
: 2137:A 15 LEU C :A 15 LEU CD2 : -0.405: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.520: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.486: 0
: 2137:A 36 ILE HB :A 25 LYS 2HB : -0.465: 0
: 2137:A 58 LEU C :A 58 LEU 3HD2 : -0.461: 0
: 2137:A 58 LEU 3HD1 :A 119 ALA 2HB : -0.429: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.458: 0
: 2137:A 115 LEU O :A 120 TRP N : -0.457: 0
: 2137:A 10 MET SD :A 65 ARG 1HB : -0.420: 0
: 2137:A 32 LEU 2HD1 :A 31 PRO 1HG : -0.410: 0
: 2137:A 54 ILE 2HG2 :A 59 GLU 1HB : -0.404: 0
: 2137:A 14 GLU H :A 14 GLU 1HG : -0.402: 0
: 2137:A 109 VAL 1HG2 :A 99 ILE 3HG2 : -0.401: 0
: 2137:A 44 ASN HA :A 108 THR HB : -0.400: 0
#sum2 ::7.49 clashscore : 7.49 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240791 potential dots:15050.0 A^2:16 bumps:16 bumps B<40:740 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 15 LEU 3HD2 :A 15 LEU C : -0.642: 0
: 2137:A 15 LEU 3HD2 :A 15 LEU O : -0.592: 0
: 2137:A 15 LEU C :A 15 LEU CD2 : -0.462: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.519: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.479: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.459: 0
: 2137:A 65 ARG 1HH1 :A 65 ARG 2HG : -0.470: 0
: 2137:A 128 ARG C :A 128 ARG 1HD : -0.451: 0
: 2137:A 54 ILE 2HG2 :A 59 GLU 1HB : -0.426: 0
: 2137:A 1 MET SD :A 4 SER OG : -0.425: 0
: 2137:A 102 LEU 2HD2 :A 45 ILE CD1 : -0.407: 0
: 2137:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.403: 0
: 2137:A 37 ASP 1HB :A 21 MET 1HG : -0.401: 0
#sum2 ::6.08 clashscore : 6.08 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240733 potential dots:15050.0 A^2:13 bumps:13 bumps B<40:810.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 4 SER CB :A 3 ALA O : -0.672: 0
: 2137:A 3 ALA O :A 4 SER 2HB : -0.499: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.586: 0
: 2137:A 15 LEU 3HD2 :A 15 LEU C : -0.532: 0
: 2137:A 15 LEU 3HD2 :A 15 LEU O : -0.487: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.527: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.522: 0
: 2137:A 98 LEU 1HB :A 77 ILE 1HD1 : -0.485: 0
: 2137:A 65 ARG 1HH1 :A 65 ARG 2HG : -0.503: 0
: 2137:A 9 ASP 2HB :A 49 ALA O : -0.489: 0
: 2137:A 49 ALA 3HB :A 115 LEU 1HD2 : -0.410: 0
: 2137:A 111 VAL 2HG2 :A 47 LEU 2HD1 : -0.432: 0
: 2137:A 54 ILE HA :A 1 MET 1HB : -0.430: 0
: 2137:A 58 LEU C :A 58 LEU 3HD2 : -0.422: 0
: 2137:A 74 VAL 1HG2 :A 45 ILE 3HD1 : -0.410: 0
: 2137:A 32 LEU 2HD1 :A 31 PRO 1HG : -0.404: 0
: 2137:A 79 PRO HA :A 32 LEU HA : -0.401: 0
#sum2 ::7.96 clashscore : 7.96 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240605 potential dots:15040.0 A^2:17 bumps:17 bumps B<40:734.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 15 LEU 3HD2 :A 15 LEU C : -0.587: 0
: 2137:A 15 LEU 3HD2 :A 15 LEU O : -0.572: 0
: 2137:A 15 LEU C :A 15 LEU CD2 : -0.402: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.488: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.445: 0
: 2137:A 10 MET SD :A 65 ARG 1HB : -0.426: 0
: 2137:A 14 GLU HA :A 17 ARG 1HB : -0.423: 0
: 2137:A 109 VAL 1HG2 :A 99 ILE 3HG2 : -0.410: 0
: 2137:A 5 ARG O :A 53 VAL N : -0.408: 0
: 2137:A 32 LEU 2HD1 :A 31 PRO 1HG : -0.405: 0
#sum2 ::4.68 clashscore : 4.68 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240436 potential dots:15030.0 A^2:10 bumps:10 bumps B<40:784.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 4 SER CB :A 3 ALA O : -0.685: 0
: 2137:A 3 ALA O :A 4 SER 1HB : -0.494: 0
: 2137:A 3 ALA O :A 4 SER OG : -0.433: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.566: 0
: 2137:A 14 GLU 2HG :A 10 MET 1HB : -0.529: 0
: 2137:A 14 GLU HA :A 17 ARG 1HB : -0.464: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.472: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.461: 0
: 2137:A 51 PHE 2HB :A 61 LEU HA : -0.432: 0
: 2137:A 32 LEU 2HD1 :A 31 PRO 1HG : -0.425: 0
: 2137:A 54 ILE 2HG2 :A 59 GLU 1HB : -0.409: 0
: 2137:A 102 LEU 2HD2 :A 45 ILE CD1 : -0.407: 0
#sum2 ::5.62 clashscore : 5.62 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240580 potential dots:15040.0 A^2:12 bumps:12 bumps B<40:785.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 65 ARG 1HH1 :A 65 ARG 2HG : -0.694: 0
: 2137:A 65 ARG 2HG :A 65 ARG NH1 : -0.440: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.524: 0
: 2137:A 9 ASP 2HB :A 48 LYS 2HB : -0.492: 0
: 2137:A 61 LEU 2HD1 :A 51 PHE 2HB : -0.461: 0
: 2137:A 53 VAL O :A 4 SER HA : -0.455: 0
: 2137:A 79 PRO HA :A 32 LEU 3HD2 : -0.449: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.430: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.409: 0
: 2137:A 21 MET 1HB :A 24 PRO 2HG : -0.424: 0
: 2137:A 63 LEU 3HD2 :A 15 LEU HG : -0.421: 0
: 2137:A 99 ILE 1HG1 :A 109 VAL 1HG1 : -0.413: 0
: 2137:A 1 MET 2HB :A 2 PRO 1HD : -0.400: 0
#sum2 ::6.08 clashscore : 6.08 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240390 potential dots:15020.0 A^2:13 bumps:13 bumps B<40:760.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 15 LEU 3HD2 :A 15 LEU O : -0.592: 0
: 2137:A 15 LEU 3HD2 :A 15 LEU C : -0.406: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.580: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.470: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.566: 0
: 2137:A 4 SER 2HB :A 53 VAL O : -0.495: 0
: 2137:A 5 ARG O :A 53 VAL N : -0.489: 0
: 2137:A 1 MET HA :A 6 TYR OH : -0.467: 0
: 2137:A 73 ILE 3HD1 :A 65 ARG 1HH1 : -0.457: 0
: 2137:A 67 PHE 2HB :A 73 ILE 1HG1 : -0.405: 0
: 2137:A 14 GLU HA :A 17 ARG 1HB : -0.424: 0
: 2137:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.414: 0
: 2137:A 79 PRO HA :A 32 LEU 3HD2 : -0.409: 0
: 2137:A 54 ILE O :A 54 ILE CG2 : -0.408: 0
: 2137:A 35 ARG 1HB :A 76 GLU 2HB : -0.406: 0
: 2137:A 102 LEU 2HD2 :A 45 ILE CD1 : -0.405: 0
: 2137:A 68 THR 2HG2 :A 45 ILE 1HG1 : -0.404: 0
#sum2 ::7.96 clashscore : 7.96 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240671 potential dots:15040.0 A^2:17 bumps:17 bumps B<40:697.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.554: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.483: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.522: 0
: 2137:A 58 LEU 3HD1 :A 119 ALA 2HB : -0.467: 0
: 2137:A 15 LEU 3HD2 :A 63 LEU 3HD2 : -0.463: 0
: 2137:A 102 LEU 2HD2 :A 45 ILE CD1 : -0.433: 0
: 2137:A 98 LEU 2HD1 :A 36 ILE 1HD1 : -0.408: 0
#sum2 ::3.28 clashscore : 3.28 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240572 potential dots:15040.0 A^2:7 bumps:7 bumps B<40:771.3 score
Output from PDB validation software
Summary from PDB validation
May. 10, 13:50:35 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.
none
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 0.015 Angstroms
The following table contains a list of the covalent bonds
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 Bond Dictionary
Name ID Number Distance Value
------------------------------------------------------------------------
0.091 PRO A 2 7 CD - N 1.564 1.473
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 1.1 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
--------------------------------------------------------------------------------
-7.4 CYS A 33 2 N - CA - CB 103.1 110.5
-7.4 CYS A 33 3 N - CA - CB 103.1 110.5
-7.6 CYS A 33 4 N - CA - CB 102.9 110.5
-7.4 CYS A 33 5 N - CA - CB 103.1 110.5
-7.4 CYS A 33 6 N - CA - CB 103.1 110.5
-7.6 CYS A 33 7 N - CA - CB 102.9 110.5
-7.4 CYS A 33 8 N - CA - CB 103.1 110.5
-7.2 CYS A 33 10 N - CA - CB 103.3 110.5
-7.1 CYS A 33 11 N - CA - CB 103.4 110.5
-7.1 CYS A 33 12 N - CA - CB 103.4 110.5
-7.2 CYS A 33 13 N - CA - CB 103.3 110.5
-7.3 CYS A 33 14 N - CA - CB 103.2 110.5
-7.0 CYS A 33 15 N - CA - CB 103.5 110.5
-7.2 CYS A 33 16 N - CA - CB 103.3 110.5
-7.5 CYS A 33 18 N - CA - CB 103.0 110.5
-7.2 CYS A 33 20 N - CA - CB 103.3 110.5
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 26 1HE2
1 A GLN 26 2HE2
1 A GLN 38 1HE2
1 A GLN 38 2HE2
1 A ASN 44 1HD2
1 A ASN 44 2HD2
1 A ASN 50 1HD2
1 A ASN 50 2HD2
1 A ASN 93 1HD2
1 A ASN 93 2HD2
1 A ASN 105 1HD2
1 A ASN 105 2HD2
1 A ASN 107 1HD2
1 A ASN 107 2HD2
1 A GLN 116 1HE2
1 A GLN 116 2HE2
1 A ASN 124 1HD2
1 A ASN 124 2HD2
1 A ASN 126 1HD2
1 A ASN 126 2HD2
2 A GLN 26 1HE2
2 A GLN 26 2HE2
2 A GLN 38 1HE2
2 A GLN 38 2HE2
2 A ASN 44 1HD2
2 A ASN 44 2HD2
2 A ASN 50 1HD2
2 A ASN 50 2HD2
2 A ASN 93 1HD2
2 A ASN 93 2HD2
2 A ASN 105 1HD2
2 A ASN 105 2HD2
2 A ASN 107 1HD2
2 A ASN 107 2HD2
2 A GLN 116 1HE2
2 A GLN 116 2HE2
2 A ASN 124 1HD2
2 A ASN 124 2HD2
2 A ASN 126 1HD2
2 A ASN 126 2HD2
3 A GLN 26 1HE2
3 A GLN 26 2HE2
3 A GLN 38 1HE2
3 A GLN 38 2HE2
3 A ASN 44 1HD2
3 A ASN 44 2HD2
3 A ASN 50 1HD2
3 A ASN 50 2HD2
3 A ASN 93 1HD2
3 A ASN 93 2HD2
3 A ASN 105 1HD2
3 A ASN 105 2HD2
3 A ASN 107 1HD2
3 A ASN 107 2HD2
3 A GLN 116 1HE2
3 A GLN 116 2HE2
3 A ASN 124 1HD2
3 A ASN 124 2HD2
3 A ASN 126 1HD2
3 A ASN 126 2HD2
4 A GLN 26 1HE2
4 A GLN 26 2HE2
4 A GLN 38 1HE2
4 A GLN 38 2HE2
4 A ASN 44 1HD2
4 A ASN 44 2HD2
4 A ASN 50 1HD2
4 A ASN 50 2HD2
4 A ASN 93 1HD2
4 A ASN 93 2HD2
4 A ASN 105 1HD2
4 A ASN 105 2HD2
4 A ASN 107 1HD2
4 A ASN 107 2HD2
4 A GLN 116 1HE2
4 A GLN 116 2HE2
4 A ASN 124 1HD2
4 A ASN 124 2HD2
4 A ASN 126 1HD2
4 A ASN 126 2HD2
5 A GLN 26 1HE2
5 A GLN 26 2HE2
5 A GLN 38 1HE2
5 A GLN 38 2HE2
5 A ASN 44 1HD2
5 A ASN 44 2HD2
5 A ASN 50 1HD2
5 A ASN 50 2HD2
5 A ASN 93 1HD2
5 A ASN 93 2HD2
5 A ASN 105 1HD2
5 A ASN 105 2HD2
5 A ASN 107 1HD2
5 A ASN 107 2HD2
5 A GLN 116 1HE2
5 A GLN 116 2HE2
5 A ASN 124 1HD2
5 A ASN 124 2HD2
5 A ASN 126 1HD2
5 A ASN 126 2HD2
6 A GLN 26 1HE2
6 A GLN 26 2HE2
6 A GLN 38 1HE2
6 A GLN 38 2HE2
6 A ASN 44 1HD2
6 A ASN 44 2HD2
6 A ASN 50 1HD2
6 A ASN 50 2HD2
6 A ASN 93 1HD2
6 A ASN 93 2HD2
6 A ASN 105 1HD2
6 A ASN 105 2HD2
6 A ASN 107 1HD2
6 A ASN 107 2HD2
6 A GLN 116 1HE2
6 A GLN 116 2HE2
6 A ASN 124 1HD2
6 A ASN 124 2HD2
6 A ASN 126 1HD2
6 A ASN 126 2HD2
7 A GLN 26 1HE2
7 A GLN 26 2HE2
7 A GLN 38 1HE2
7 A GLN 38 2HE2
7 A ASN 44 1HD2
7 A ASN 44 2HD2
7 A ASN 50 1HD2
7 A ASN 50 2HD2
7 A ASN 93 1HD2
7 A ASN 93 2HD2
7 A ASN 105 1HD2
7 A ASN 105 2HD2
7 A ASN 107 1HD2
7 A ASN 107 2HD2
7 A GLN 116 1HE2
7 A GLN 116 2HE2
7 A ASN 124 1HD2
7 A ASN 124 2HD2
7 A ASN 126 1HD2
7 A ASN 126 2HD2
8 A GLN 26 1HE2
8 A GLN 26 2HE2
8 A GLN 38 1HE2
8 A GLN 38 2HE2
8 A ASN 44 1HD2
8 A ASN 44 2HD2
8 A ASN 50 1HD2
8 A ASN 50 2HD2
8 A ASN 93 1HD2
8 A ASN 93 2HD2
8 A ASN 105 1HD2
8 A ASN 105 2HD2
8 A ASN 107 1HD2
8 A ASN 107 2HD2
8 A GLN 116 1HE2
8 A GLN 116 2HE2
8 A ASN 124 1HD2
8 A ASN 124 2HD2
8 A ASN 126 1HD2
8 A ASN 126 2HD2
9 A GLN 26 1HE2
9 A GLN 26 2HE2
9 A GLN 38 1HE2
9 A GLN 38 2HE2
9 A ASN 44 1HD2
9 A ASN 44 2HD2
9 A ASN 50 1HD2
9 A ASN 50 2HD2
9 A ASN 93 1HD2
9 A ASN 93 2HD2
9 A ASN 105 1HD2
9 A ASN 105 2HD2
9 A ASN 107 1HD2
9 A ASN 107 2HD2
9 A GLN 116 1HE2
9 A GLN 116 2HE2
9 A ASN 124 1HD2
9 A ASN 124 2HD2
9 A ASN 126 1HD2
9 A ASN 126 2HD2
10 A GLN 26 1HE2
10 A GLN 26 2HE2
10 A GLN 38 1HE2
10 A GLN 38 2HE2
10 A ASN 44 1HD2
10 A ASN 44 2HD2
10 A ASN 50 1HD2
10 A ASN 50 2HD2
10 A ASN 93 1HD2
10 A ASN 93 2HD2
10 A ASN 105 1HD2
10 A ASN 105 2HD2
10 A ASN 107 1HD2
10 A ASN 107 2HD2
10 A GLN 116 1HE2
10 A GLN 116 2HE2
10 A ASN 124 1HD2
10 A ASN 124 2HD2
10 A ASN 126 1HD2
10 A ASN 126 2HD2
11 A GLN 26 1HE2
11 A GLN 26 2HE2
11 A GLN 38 1HE2
11 A GLN 38 2HE2
11 A ASN 44 1HD2
11 A ASN 44 2HD2
11 A ASN 50 1HD2
11 A ASN 50 2HD2
11 A ASN 93 1HD2
11 A ASN 93 2HD2
11 A ASN 105 1HD2
11 A ASN 105 2HD2
11 A ASN 107 1HD2
11 A ASN 107 2HD2
11 A GLN 116 1HE2
11 A GLN 116 2HE2
11 A ASN 124 1HD2
11 A ASN 124 2HD2
11 A ASN 126 1HD2
11 A ASN 126 2HD2
12 A GLN 26 1HE2
12 A GLN 26 2HE2
12 A GLN 38 1HE2
12 A GLN 38 2HE2
12 A ASN 44 1HD2
12 A ASN 44 2HD2
12 A ASN 50 1HD2
12 A ASN 50 2HD2
12 A ASN 93 1HD2
12 A ASN 93 2HD2
12 A ASN 105 1HD2
12 A ASN 105 2HD2
12 A ASN 107 1HD2
12 A ASN 107 2HD2
12 A GLN 116 1HE2
12 A GLN 116 2HE2
12 A ASN 124 1HD2
12 A ASN 124 2HD2
12 A ASN 126 1HD2
12 A ASN 126 2HD2
13 A GLN 26 1HE2
13 A GLN 26 2HE2
13 A GLN 38 1HE2
13 A GLN 38 2HE2
13 A ASN 44 1HD2
13 A ASN 44 2HD2
13 A ASN 50 1HD2
13 A ASN 50 2HD2
13 A ASN 93 1HD2
13 A ASN 93 2HD2
13 A ASN 105 1HD2
13 A ASN 105 2HD2
13 A ASN 107 1HD2
13 A ASN 107 2HD2
13 A GLN 116 1HE2
13 A GLN 116 2HE2
13 A ASN 124 1HD2
13 A ASN 124 2HD2
13 A ASN 126 1HD2
13 A ASN 126 2HD2
14 A GLN 26 1HE2
14 A GLN 26 2HE2
14 A GLN 38 1HE2
14 A GLN 38 2HE2
14 A ASN 44 1HD2
14 A ASN 44 2HD2
14 A ASN 50 1HD2
14 A ASN 50 2HD2
14 A ASN 93 1HD2
14 A ASN 93 2HD2
14 A ASN 105 1HD2
14 A ASN 105 2HD2
14 A ASN 107 1HD2
14 A ASN 107 2HD2
14 A GLN 116 1HE2
14 A GLN 116 2HE2
14 A ASN 124 1HD2
14 A ASN 124 2HD2
14 A ASN 126 1HD2
14 A ASN 126 2HD2
15 A GLN 26 1HE2
15 A GLN 26 2HE2
15 A GLN 38 1HE2
15 A GLN 38 2HE2
15 A ASN 44 1HD2
15 A ASN 44 2HD2
15 A ASN 50 1HD2
15 A ASN 50 2HD2
15 A ASN 93 1HD2
15 A ASN 93 2HD2
15 A ASN 105 1HD2
15 A ASN 105 2HD2
15 A ASN 107 1HD2
15 A ASN 107 2HD2
15 A GLN 116 1HE2
15 A GLN 116 2HE2
15 A ASN 124 1HD2
15 A ASN 124 2HD2
15 A ASN 126 1HD2
15 A ASN 126 2HD2
16 A GLN 26 1HE2
16 A GLN 26 2HE2
16 A GLN 38 1HE2
16 A GLN 38 2HE2
16 A ASN 44 1HD2
16 A ASN 44 2HD2
16 A ASN 50 1HD2
16 A ASN 50 2HD2
16 A ASN 93 1HD2
16 A ASN 93 2HD2
16 A ASN 105 1HD2
16 A ASN 105 2HD2
16 A ASN 107 1HD2
16 A ASN 107 2HD2
16 A GLN 116 1HE2
16 A GLN 116 2HE2
16 A ASN 124 1HD2
16 A ASN 124 2HD2
16 A ASN 126 1HD2
16 A ASN 126 2HD2
17 A GLN 26 1HE2
17 A GLN 26 2HE2
17 A GLN 38 1HE2
17 A GLN 38 2HE2
17 A ASN 44 1HD2
17 A ASN 44 2HD2
17 A ASN 50 1HD2
17 A ASN 50 2HD2
17 A ASN 93 1HD2
17 A ASN 93 2HD2
17 A ASN 105 1HD2
17 A ASN 105 2HD2
17 A ASN 107 1HD2
17 A ASN 107 2HD2
17 A GLN 116 1HE2
17 A GLN 116 2HE2
17 A ASN 124 1HD2
17 A ASN 124 2HD2
17 A ASN 126 1HD2
17 A ASN 126 2HD2
18 A GLN 26 1HE2
18 A GLN 26 2HE2
18 A GLN 38 1HE2
18 A GLN 38 2HE2
18 A ASN 44 1HD2
18 A ASN 44 2HD2
18 A ASN 50 1HD2
18 A ASN 50 2HD2
18 A ASN 93 1HD2
18 A ASN 93 2HD2
18 A ASN 105 1HD2
18 A ASN 105 2HD2
18 A ASN 107 1HD2
18 A ASN 107 2HD2
18 A GLN 116 1HE2
18 A GLN 116 2HE2
18 A ASN 124 1HD2
18 A ASN 124 2HD2
18 A ASN 126 1HD2
18 A ASN 126 2HD2
19 A GLN 26 1HE2
19 A GLN 26 2HE2
19 A GLN 38 1HE2
19 A GLN 38 2HE2
19 A ASN 44 1HD2
19 A ASN 44 2HD2
19 A ASN 50 1HD2
19 A ASN 50 2HD2
19 A ASN 93 1HD2
19 A ASN 93 2HD2
19 A ASN 105 1HD2
19 A ASN 105 2HD2
19 A ASN 107 1HD2
19 A ASN 107 2HD2
19 A GLN 116 1HE2
19 A GLN 116 2HE2
19 A ASN 124 1HD2
19 A ASN 124 2HD2
19 A ASN 126 1HD2
19 A ASN 126 2HD2
20 A GLN 26 1HE2
20 A GLN 26 2HE2
20 A GLN 38 1HE2
20 A GLN 38 2HE2
20 A ASN 44 1HD2
20 A ASN 44 2HD2
20 A ASN 50 1HD2
20 A ASN 50 2HD2
20 A ASN 93 1HD2
20 A ASN 93 2HD2
20 A ASN 105 1HD2
20 A ASN 105 2HD2
20 A ASN 107 1HD2
20 A ASN 107 2HD2
20 A GLN 116 1HE2
20 A GLN 116 2HE2
20 A ASN 124 1HD2
20 A ASN 124 2HD2
20 A ASN 126 1HD2
20 A ASN 126 2HD2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 9) HD2
GLU( 1 A 13) HE2
GLU( 1 A 14) HE2
ASP( 1 A 18) HD2
GLU( 1 A 29) HE2
ASP( 1 A 37) HD2
ASP( 1 A 42) HD2
ASP( 1 A 56) HD2
GLU( 1 A 59) HE2
GLU( 1 A 69) HE2
GLU( 1 A 70) HE2
GLU( 1 A 76) HE2
HIS( 1 A 86) HE2
GLU( 1 A 89) HE2
ASP( 1 A 90) HD2
GLU( 1 A 103) HE2
ASP( 1 A 106) HD2
GLU( 1 A 125) HE2
GLU( 1 A 134) HE2
ASP( 2 A 9) HD2
GLU( 2 A 13) HE2
GLU( 2 A 14) HE2
ASP( 2 A 18) HD2
GLU( 2 A 29) HE2
ASP( 2 A 37) HD2
ASP( 2 A 42) HD2
ASP( 2 A 56) HD2
GLU( 2 A 59) HE2
GLU( 2 A 69) HE2
GLU( 2 A 70) HE2
GLU( 2 A 76) HE2
HIS( 2 A 86) HE2
GLU( 2 A 89) HE2
ASP( 2 A 90) HD2
GLU( 2 A 103) HE2
ASP( 2 A 106) HD2
GLU( 2 A 125) HE2
GLU( 2 A 134) HE2
ASP( 3 A 9) HD2
GLU( 3 A 13) HE2
GLU( 3 A 14) HE2
ASP( 3 A 18) HD2
GLU( 3 A 29) HE2
ASP( 3 A 37) HD2
ASP( 3 A 42) HD2
ASP( 3 A 56) HD2
GLU( 3 A 59) HE2
GLU( 3 A 69) HE2
GLU( 3 A 70) HE2
GLU( 3 A 76) HE2
HIS( 3 A 86) HE2
GLU( 3 A 89) HE2
ASP( 3 A 90) HD2
GLU( 3 A 103) HE2
ASP( 3 A 106) HD2
GLU( 3 A 125) HE2
GLU( 3 A 134) HE2
ASP( 4 A 9) HD2
GLU( 4 A 13) HE2
GLU( 4 A 14) HE2
ASP( 4 A 18) HD2
GLU( 4 A 29) HE2
ASP( 4 A 37) HD2
ASP( 4 A 42) HD2
ASP( 4 A 56) HD2
GLU( 4 A 59) HE2
GLU( 4 A 69) HE2
GLU( 4 A 70) HE2
GLU( 4 A 76) HE2
HIS( 4 A 86) HE2
GLU( 4 A 89) HE2
ASP( 4 A 90) HD2
GLU( 4 A 103) HE2
ASP( 4 A 106) HD2
GLU( 4 A 125) HE2
GLU( 4 A 134) HE2
ASP( 5 A 9) HD2
GLU( 5 A 13) HE2
GLU( 5 A 14) HE2
ASP( 5 A 18) HD2
GLU( 5 A 29) HE2
ASP( 5 A 37) HD2
ASP( 5 A 42) HD2
ASP( 5 A 56) HD2
GLU( 5 A 59) HE2
GLU( 5 A 69) HE2
GLU( 5 A 70) HE2
GLU( 5 A 76) HE2
HIS( 5 A 86) HE2
GLU( 5 A 89) HE2
ASP( 5 A 90) HD2
GLU( 5 A 103) HE2
ASP( 5 A 106) HD2
GLU( 5 A 125) HE2
GLU( 5 A 134) HE2
ASP( 6 A 9) HD2
GLU( 6 A 13) HE2
GLU( 6 A 14) HE2
ASP( 6 A 18) HD2
GLU( 6 A 29) HE2
ASP( 6 A 37) HD2
ASP( 6 A 42) HD2
ASP( 6 A 56) HD2
GLU( 6 A 59) HE2
GLU( 6 A 69) HE2
GLU( 6 A 70) HE2
GLU( 6 A 76) HE2
HIS( 6 A 86) HE2
GLU( 6 A 89) HE2
ASP( 6 A 90) HD2
GLU( 6 A 103) HE2
ASP( 6 A 106) HD2
GLU( 6 A 125) HE2
GLU( 6 A 134) HE2
ASP( 7 A 9) HD2
GLU( 7 A 13) HE2
GLU( 7 A 14) HE2
ASP( 7 A 18) HD2
GLU( 7 A 29) HE2
ASP( 7 A 37) HD2
ASP( 7 A 42) HD2
ASP( 7 A 56) HD2
GLU( 7 A 59) HE2
GLU( 7 A 69) HE2
GLU( 7 A 70) HE2
GLU( 7 A 76) HE2
HIS( 7 A 86) HE2
GLU( 7 A 89) HE2
ASP( 7 A 90) HD2
GLU( 7 A 103) HE2
ASP( 7 A 106) HD2
GLU( 7 A 125) HE2
GLU( 7 A 134) HE2
ASP( 8 A 9) HD2
GLU( 8 A 13) HE2
GLU( 8 A 14) HE2
ASP( 8 A 18) HD2
GLU( 8 A 29) HE2
ASP( 8 A 37) HD2
ASP( 8 A 42) HD2
ASP( 8 A 56) HD2
GLU( 8 A 59) HE2
GLU( 8 A 69) HE2
GLU( 8 A 70) HE2
GLU( 8 A 76) HE2
HIS( 8 A 86) HE2
GLU( 8 A 89) HE2
ASP( 8 A 90) HD2
GLU( 8 A 103) HE2
ASP( 8 A 106) HD2
GLU( 8 A 125) HE2
GLU( 8 A 134) HE2
ASP( 9 A 9) HD2
GLU( 9 A 13) HE2
GLU( 9 A 14) HE2
ASP( 9 A 18) HD2
GLU( 9 A 29) HE2
ASP( 9 A 37) HD2
ASP( 9 A 42) HD2
ASP( 9 A 56) HD2
GLU( 9 A 59) HE2
GLU( 9 A 69) HE2
GLU( 9 A 70) HE2
GLU( 9 A 76) HE2
HIS( 9 A 86) HE2
GLU( 9 A 89) HE2
ASP( 9 A 90) HD2
GLU( 9 A 103) HE2
ASP( 9 A 106) HD2
GLU( 9 A 125) HE2
GLU( 9 A 134) HE2
ASP( 10 A 9) HD2
GLU( 10 A 13) HE2
GLU( 10 A 14) HE2
ASP( 10 A 18) HD2
GLU( 10 A 29) HE2
ASP( 10 A 37) HD2
ASP( 10 A 42) HD2
ASP( 10 A 56) HD2
GLU( 10 A 59) HE2
GLU( 10 A 69) HE2
GLU( 10 A 70) HE2
GLU( 10 A 76) HE2
HIS( 10 A 86) HE2
GLU( 10 A 89) HE2
ASP( 10 A 90) HD2
GLU( 10 A 103) HE2
ASP( 10 A 106) HD2
GLU( 10 A 125) HE2
GLU( 10 A 134) HE2
ASP( 11 A 9) HD2
GLU( 11 A 13) HE2
GLU( 11 A 14) HE2
ASP( 11 A 18) HD2
GLU( 11 A 29) HE2
ASP( 11 A 37) HD2
ASP( 11 A 42) HD2
ASP( 11 A 56) HD2
GLU( 11 A 59) HE2
GLU( 11 A 69) HE2
GLU( 11 A 70) HE2
GLU( 11 A 76) HE2
HIS( 11 A 86) HE2
GLU( 11 A 89) HE2
ASP( 11 A 90) HD2
GLU( 11 A 103) HE2
ASP( 11 A 106) HD2
GLU( 11 A 125) HE2
GLU( 11 A 134) HE2
ASP( 12 A 9) HD2
GLU( 12 A 13) HE2
GLU( 12 A 14) HE2
ASP( 12 A 18) HD2
GLU( 12 A 29) HE2
ASP( 12 A 37) HD2
ASP( 12 A 42) HD2
ASP( 12 A 56) HD2
GLU( 12 A 59) HE2
GLU( 12 A 69) HE2
GLU( 12 A 70) HE2
GLU( 12 A 76) HE2
HIS( 12 A 86) HE2
GLU( 12 A 89) HE2
ASP( 12 A 90) HD2
GLU( 12 A 103) HE2
ASP( 12 A 106) HD2
GLU( 12 A 125) HE2
GLU( 12 A 134) HE2
ASP( 13 A 9) HD2
GLU( 13 A 13) HE2
GLU( 13 A 14) HE2
ASP( 13 A 18) HD2
GLU( 13 A 29) HE2
ASP( 13 A 37) HD2
ASP( 13 A 42) HD2
ASP( 13 A 56) HD2
GLU( 13 A 59) HE2
GLU( 13 A 69) HE2
GLU( 13 A 70) HE2
GLU( 13 A 76) HE2
HIS( 13 A 86) HE2
GLU( 13 A 89) HE2
ASP( 13 A 90) HD2
GLU( 13 A 103) HE2
ASP( 13 A 106) HD2
GLU( 13 A 125) HE2
GLU( 13 A 134) HE2
ASP( 14 A 9) HD2
GLU( 14 A 13) HE2
GLU( 14 A 14) HE2
ASP( 14 A 18) HD2
GLU( 14 A 29) HE2
ASP( 14 A 37) HD2
ASP( 14 A 42) HD2
ASP( 14 A 56) HD2
GLU( 14 A 59) HE2
GLU( 14 A 69) HE2
GLU( 14 A 70) HE2
GLU( 14 A 76) HE2
HIS( 14 A 86) HE2
GLU( 14 A 89) HE2
ASP( 14 A 90) HD2
GLU( 14 A 103) HE2
ASP( 14 A 106) HD2
GLU( 14 A 125) HE2
GLU( 14 A 134) HE2
ASP( 15 A 9) HD2
GLU( 15 A 13) HE2
GLU( 15 A 14) HE2
ASP( 15 A 18) HD2
GLU( 15 A 29) HE2
ASP( 15 A 37) HD2
ASP( 15 A 42) HD2
ASP( 15 A 56) HD2
GLU( 15 A 59) HE2
GLU( 15 A 69) HE2
GLU( 15 A 70) HE2
GLU( 15 A 76) HE2
HIS( 15 A 86) HE2
GLU( 15 A 89) HE2
ASP( 15 A 90) HD2
GLU( 15 A 103) HE2
ASP( 15 A 106) HD2
GLU( 15 A 125) HE2
GLU( 15 A 134) HE2
ASP( 16 A 9) HD2
GLU( 16 A 13) HE2
GLU( 16 A 14) HE2
ASP( 16 A 18) HD2
GLU( 16 A 29) HE2
ASP( 16 A 37) HD2
ASP( 16 A 42) HD2
ASP( 16 A 56) HD2
GLU( 16 A 59) HE2
GLU( 16 A 69) HE2
GLU( 16 A 70) HE2
GLU( 16 A 76) HE2
HIS( 16 A 86) HE2
GLU( 16 A 89) HE2
ASP( 16 A 90) HD2
GLU( 16 A 103) HE2
ASP( 16 A 106) HD2
GLU( 16 A 125) HE2
GLU( 16 A 134) HE2
ASP( 17 A 9) HD2
GLU( 17 A 13) HE2
GLU( 17 A 14) HE2
ASP( 17 A 18) HD2
GLU( 17 A 29) HE2
ASP( 17 A 37) HD2
ASP( 17 A 42) HD2
ASP( 17 A 56) HD2
GLU( 17 A 59) HE2
GLU( 17 A 69) HE2
GLU( 17 A 70) HE2
GLU( 17 A 76) HE2
HIS( 17 A 86) HE2
GLU( 17 A 89) HE2
ASP( 17 A 90) HD2
GLU( 17 A 103) HE2
ASP( 17 A 106) HD2
GLU( 17 A 125) HE2
GLU( 17 A 134) HE2
ASP( 18 A 9) HD2
GLU( 18 A 13) HE2
GLU( 18 A 14) HE2
ASP( 18 A 18) HD2
GLU( 18 A 29) HE2
ASP( 18 A 37) HD2
ASP( 18 A 42) HD2
ASP( 18 A 56) HD2
GLU( 18 A 59) HE2
GLU( 18 A 69) HE2
GLU( 18 A 70) HE2
GLU( 18 A 76) HE2
HIS( 18 A 86) HE2
GLU( 18 A 89) HE2
ASP( 18 A 90) HD2
GLU( 18 A 103) HE2
ASP( 18 A 106) HD2
GLU( 18 A 125) HE2
GLU( 18 A 134) HE2
ASP( 19 A 9) HD2
GLU( 19 A 13) HE2
GLU( 19 A 14) HE2
ASP( 19 A 18) HD2
GLU( 19 A 29) HE2
ASP( 19 A 37) HD2
ASP( 19 A 42) HD2
ASP( 19 A 56) HD2
GLU( 19 A 59) HE2
GLU( 19 A 69) HE2
GLU( 19 A 70) HE2
GLU( 19 A 76) HE2
HIS( 19 A 86) HE2
GLU( 19 A 89) HE2
ASP( 19 A 90) HD2
GLU( 19 A 103) HE2
ASP( 19 A 106) HD2
GLU( 19 A 125) HE2
GLU( 19 A 134) HE2
ASP( 20 A 9) HD2
GLU( 20 A 13) HE2
GLU( 20 A 14) HE2
ASP( 20 A 18) HD2
GLU( 20 A 29) HE2
ASP( 20 A 37) HD2
ASP( 20 A 42) HD2
ASP( 20 A 56) HD2
GLU( 20 A 59) HE2
GLU( 20 A 69) HE2
GLU( 20 A 70) HE2
GLU( 20 A 76) HE2
HIS( 20 A 86) HE2
GLU( 20 A 89) HE2
ASP( 20 A 90) HD2
GLU( 20 A 103) HE2
ASP( 20 A 106) HD2
GLU( 20 A 125) HE2
GLU( 20 A 134) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 134) O2
GLU( 2 A 134) O2
GLU( 3 A 134) O2
GLU( 4 A 134) O2
GLU( 5 A 134) O2
GLU( 6 A 134) O2
GLU( 7 A 134) O2
GLU( 8 A 134) O2
GLU( 9 A 134) O2
GLU( 10 A 134) O2
GLU( 11 A 134) O2
GLU( 12 A 134) O2
GLU( 13 A 134) O2
GLU( 14 A 134) O2
GLU( 15 A 134) O2
GLU( 16 A 134) O2
GLU( 17 A 134) O2
GLU( 18 A 134) O2
GLU( 19 A 134) O2
GLU( 20 A 134) O2
OR8C_R3Cons_em_bcr3.pdb: Missing KEYWDS records
OR8C_R3Cons_em_bcr3.pdb: Missing TITLE record