Detailed results of OR8C_NMR_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
16-> MET 10 HB* - ASN 50 HD21 [ 1.80 5.92] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
22-> GLN 38 HG2 - ASN 105 HD21 [ 1.80 6.05] 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 0.05 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 0.14]
24-> GLU 14 HB* - ARG 65 HE [ 1.80 4.98] 0.00 0.06 0.11 0.00 0.14 0.00 0.00 0.11 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.13 0.05 0.00 0.00 - 7 [ 0.05 .. 0.17]
26-> LEU 63 HD1* - ARG 65 HE [ 1.80 5.59] 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.02 .. 0.21]
37-> ILE 99 HD1* - TRP 120 HE1 [ 1.80 4.49] 0.00 0.00 0.08 0.00 0.10 0.00 0.00 0.13 0.24 0.05 0.07 0.00 0.13 0.06 0.03 0.03 0.00 0.00 0.00 0.00 - 11 [ 0.00 .. 0.24]
81-> THR 11 HN - GLU 14 HB* [ 1.80 4.80] 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.06 - 3 [ 0.02 .. 0.14]
107-> THR 132 HA - LEU 133 HN [ 1.80 3.29] 0.00 0.00 0.00 0.00 0.00 0.24 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 [ 0.24 .. 0.24]
404-> LYS 25 HD* - LYS 27 HN [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 - 1 [ 0.13 .. 0.13]
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 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 - 2 [ 0.01 .. 0.14]
496-> ILE 36 HG2* - GLN 38 HE21 [ 1.80 4.46] 0.00 0.06 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.10]
497-> ILE 36 HG2* - GLN 38 HE22 [ 1.80 5.49] 0.00 0.19 0.02 0.08 0.00 0.12 0.00 0.00 0.03 0.00 0.00 0.06 0.00 0.09 0.00 0.00 0.00 0.04 0.06 0.00 - 9 [ 0.02 .. 0.19]
498-> LYS 25 HB2 - GLN 38 HE21 [ 1.80 4.51] 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
508-> ARG 110 HG* - GLN 116 HE21 [ 1.80 5.80] 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 0.18 0.00 - 1 [ 0.18 .. 0.18]
596-> LYS 43 HB2 - ASN 44 HN [ 1.80 3.94] 0.04 0.00 0.06 0.00 0.13 0.05 0.06 0.04 0.00 0.00 0.16 0.00 0.00 0.02 0.00 0.00 0.02 0.00 0.03 0.05 - 11 [ 0.02 .. 0.16]
611-> ARG 5 HB3 - TYR 6 HN [ 1.80 3.83] 0.08 0.12 0.18 0.07 0.18 0.22 0.14 0.18 0.11 0.00 0.05 0.19 0.22 0.20 0.22 0.32 0.00 0.13 0.08 0.06 - 18 [ 0.05 .. 0.32]
617-> THR 11 HB - ILE 12 HN [ 1.80 3.54] 0.05 0.03 0.00 0.00 0.00 0.11 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 - 5 [ 0.03 .. 0.11]
638-> LEU 133 HD1* - GLU 134 HN [ 1.80 5.43] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 - 2 [ 0.08 .. 0.15]
696-> LYS 25 HG2 - GLN 26 HN [ 1.80 4.83] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.08 0.00 0.00 0.02 0.07 0.23 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.02 .. 0.23]
728-> ALA 119 HN - GLY 121 HN [ 1.80 5.05] 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.16]
763-> LEU 102 HD2* - ASN 107 HD22 [ 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 0.15 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
788-> ASP 18 HN - ILE 73 HD1* [ 1.80 5.24] 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 0.04 0.00 0.00 0.00 0.00 0.11 - 2 [ 0.04 .. 0.11]
803-> ARG 17 HG2 - ASP 18 HN [ 1.80 4.48] 0.05 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 - 4 [ 0.01 .. 0.23]
807-> MET 10 HB* - LEU 15 HN [ 1.80 4.86] 0.14 0.00 0.00 0.00 0.00 0.25 0.11 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.12 0.00 0.00 0.00 0.00 - 5 [ 0.11 .. 0.25]
813-> LEU 102 HD2* - THR 108 HN [ 1.80 5.83] 0.03 0.12 0.23 0.07 0.10 0.10 0.20 0.18 0.15 0.21 0.19 0.10 0.13 0.19 0.14 0.07 0.20 0.09 0.17 0.12 - 20 [ 0.03 .. 0.23]
866-> MET 10 HE* - LEU 15 HD1* [ 1.80 3.42] 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 0.00 0.00 0.00 0.00 - 1 [ 0.23 .. 0.23]
879-> ARG 17 HN - ARG 17 HD2 [ 1.80 5.70] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.27 .. 0.27]
880-> ARG 17 HN - ARG 17 HD3 [ 1.80 5.70] 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.13 .. 0.21]
940-> LEU 15 HA - LEU 15 HD2* [ 1.80 3.78] 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 - 2 [ 0.15 .. 0.19]
984-> ARG 104 HA - ARG 104 HG2 [ 1.80 4.18] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
992-> GLU 70 HA - GLU 70 HG3 [ 1.80 4.10] 0.00 0.00 0.00 0.00 0.00 0.18 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 [ 0.18 .. 0.18]
1015-> LEU 22 HG - MET 23 HG2 [ 1.80 4.42] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.17 0.00 0.00 - 2 [ 0.14 .. 0.17]
1064-> LEU 15 HG - LEU 63 HD2* [ 1.80 3.84] 0.00 0.00 0.00 0.13 0.00 0.04 0.00 0.00 0.00 0.02 0.04 0.00 0.02 0.00 0.00 0.04 0.00 0.00 0.00 0.00 - 6 [ 0.02 .. 0.13]
1091-> ARG 110 HB3 - ARG 110 HD* [ 1.80 3.47] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1261-> ALA 39 HN - ILE 40 HD1* [ 1.80 4.15] 0.17 0.14 0.00 0.25 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.15 0.04 0.00 0.00 - 7 [ 0.04 .. 0.25]
1292-> LEU 58 HD2* - ILE 88 HD1* [ 1.80 3.96] 0.00 0.00 0.07 0.08 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.04 0.11 0.09 0.12 0.00 0.05 0.07 0.00 0.00 - 9 [ 0.04 .. 0.12]
1305-> TRP 19 HZ2 - ILE 73 HD1* [ 1.80 5.19] 0.00 0.00 0.23 0.00 0.00 0.03 0.00 0.00 0.00 0.07 0.00 0.00 0.03 0.07 0.00 0.00 0.00 0.00 0.01 0.07 - 7 [ 0.01 .. 0.23]
1320-> THR 87 HB - ILE 88 HG2* [ 1.80 4.10] 0.00 0.11 0.10 0.01 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 - 5 [ 0.01 .. 0.25]
1326-> THR 132 HB - LEU 133 HG [ 1.80 4.84] 0.00 0.15 0.00 0.04 0.16 0.00 0.00 0.11 0.20 0.07 0.00 0.02 0.06 0.21 0.00 0.25 0.12 0.00 0.05 0.00 - 12 [ 0.02 .. 0.25]
1331-> GLU 76 HG3 - SER 78 HB2 [ 1.80 6.05] 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
1410-> TYR 6 HD* - THR 8 HG2* [ 1.80 4.84] 0.00 0.03 0.06 0.00 0.00 0.10 0.04 0.05 0.05 0.03 0.00 0.00 0.05 0.00 0.00 0.04 0.00 0.12 0.00 0.00 - 11 [ 0.00 .. 0.12]
1440-> VAL 111 HG1* - TRP 120 HZ3 [ 1.80 4.70] 0.15 0.19 0.14 0.12 0.08 0.24 0.28 0.17 0.11 0.13 0.10 0.14 0.29 0.14 0.22 0.12 0.22 0.25 0.11 0.12 - 20 [ 0.08 .. 0.29]
1450-> ILE 45 HN - LEU 102 HD2* [ 1.80 5.35] 0.20 0.01 0.20 0.18 0.12 0.05 0.06 0.16 0.09 0.25 0.07 0.15 0.12 0.14 0.12 0.00 0.13 0.17 0.07 0.03 - 19 [ 0.01 .. 0.25]
1454-> ASN 107 HN - VAL 109 HG2* [ 1.80 6.05] 0.00 0.12 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.03 - 4 [ 0.02 .. 0.12]
1458-> LEU 63 HD1* - SER 78 HB2 [ 1.80 4.07] 0.10 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 - 3 [ 0.01 .. 0.10]
1464-> ILE 45 HB - VAL 109 HG1* [ 1.80 4.20] 0.05 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.04 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.02 .. 0.10]
1476-> LEU 115 HD2* - ARG 117 HN [ 1.80 6.05] 0.00 0.11 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.04 0.00 0.04 0.00 0.05 0.00 0.05 0.00 0.00 0.07 0.14 - 8 [ 0.01 .. 0.14]
1498-> LEU 80 HD2* - PRO 81 HG* [ 1.80 4.16] 0.21 0.20 0.07 0.12 0.11 0.08 0.17 0.09 0.00 0.17 0.02 0.06 0.18 0.16 0.10 0.14 0.20 0.13 0.23 0.09 - 19 [ 0.02 .. 0.23]
1533-> ILE 12 HA - LEU 15 HD1* [ 1.80 4.18] 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 - 2 [ 0.08 .. 0.18]
1536-> ILE 12 HA - LEU 15 HG [ 1.80 5.12] 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 - 3 [ 0.02 .. 0.16]
1547-> ILE 45 HB - LEU 102 HD1* [ 1.80 4.64] 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 0.18 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
1606-> GLU 103 HA - VAL 109 HG2* [ 1.80 4.61] 0.00 0.08 0.05 0.09 0.00 0.02 0.00 0.00 0.06 0.00 0.00 0.05 0.13 0.00 0.05 0.00 0.00 0.17 0.00 0.13 - 10 [ 0.02 .. 0.17]
1608-> LEU 15 HD2* - SER 16 HA [ 1.80 5.28] 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 - 2 [ 0.06 .. 0.27]
1633-> PRO 130 HB2 - LEU 131 HA [ 1.80 4.89] 0.13 0.00 0.17 0.09 0.12 0.00 0.13 0.19 0.17 0.18 0.17 0.10 0.07 0.20 0.00 0.15 0.10 0.11 0.00 0.21 - 16 [ 0.07 .. 0.21]
1675-> ARG 110 HD* - VAL 111 HN [ 1.80 5.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 - 1 [ 0.25 .. 0.25]
1683-> ILE 40 HG2* - LYS 43 HE3 [ 1.80 4.64] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
1684-> LYS 27 HE* - VAL 97 HG2* [ 1.80 5.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 - 1 [ 0.13 .. 0.13]
1687-> LYS 25 HE* - ILE 36 HG2* [ 1.80 4.85] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.12 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.03 .. 0.12]
1717-> MET 41 HB3 - ASP 106 HB3 [ 1.80 5.04] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
1724-> ILE 99 HG2* - GLU 103 HG2 [ 1.80 4.46] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
1728-> THR 11 HB - ILE 12 HB [ 1.80 5.21] 0.18 0.30 0.00 0.00 0.04 0.10 0.12 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 - 7 [ 0.04 .. 0.30]
1730-> ASN 44 HB* - GLU 69 HG3 [ 1.80 4.29] 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.05 0.13 0.00 0.00 0.00 - 4 [ 0.05 .. 0.13]
1733-> ILE 88 HG2* - GLU 89 HG3 [ 1.80 4.21] 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.13]
1734-> ILE 12 HG2* - GLU 13 HG3 [ 1.80 5.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1753-> MET 23 HB2 - GLN 38 HG3 [ 1.80 4.03] 0.09 0.00 0.11 0.02 0.00 0.00 0.03 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.14 0.03 0.02 0.06 0.05 0.02 - 11 [ 0.02 .. 0.14]
1799-> MET 46 HE* - ARG 110 HD* [ 1.80 3.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.09 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 0.20]
1805-> GLN 116 HA - TRP 120 HB3 [ 1.80 5.04] 0.02 0.10 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.04 0.10 0.03 0.10 0.06 0.03 0.07 - 12 [ 0.00 .. 0.10]
1812-> MET 46 HE* - LYS 113 HN [ 1.80 4.64] 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.02 .. 0.16]
1832-> MET 41 HE* - ASN 105 HB2 [ 1.80 4.39] 0.04 0.00 0.04 0.04 0.04 0.00 0.02 0.01 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.21 0.05 0.00 - 10 [ 0.01 .. 0.21]
1841-> LEU 47 HN - VAL 111 HG1* [ 1.80 4.91] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
1869-> ARG 110 HG* - VAL 111 HG2* [ 1.80 4.42] 0.00 0.00 0.00 0.00 0.00 0.07 0.11 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.33 0.00 - 5 [ 0.01 .. 0.33]
1883-> TYR 6 HE* - PHE 51 HA [ 1.80 5.70] 0.06 0.00 0.00 0.00 0.16 0.00 0.04 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.10 0.00 0.00 0.00 - 6 [ 0.03 .. 0.16]
1947-> TRP 19 HH2 - GLU 76 HG2 [ 1.80 6.05] 0.00 0.00 0.18 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 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.18]
2005-> ARG 17 HB* - TRP 19 HE1 [ 1.80 5.37] 0.03 0.08 0.00 0.00 0.06 0.05 0.02 0.05 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.09 0.00 0.16 0.00 0.03 - 10 [ 0.02 .. 0.16]
2008-> ARG 17 HG* - TRP 19 HE1 [ 1.80 5.67] 0.12 0.00 0.00 0.00 0.19 0.03 0.07 0.07 0.07 0.05 0.15 0.14 0.13 0.00 0.00 0.00 0.03 0.07 0.11 0.04 - 14 [ 0.03 .. 0.19]
2017-> MET 21 HN - MET 21 HG* [ 1.80 3.71] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
2020-> MET 21 HE* - PRO 24 HD* [ 1.80 5.06] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
2026-> LEU 22 HB* - ALA 39 HB* [ 1.80 3.77] 0.17 0.11 0.04 0.00 0.23 0.00 0.00 0.00 0.22 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.04 .. 0.23]
2028-> LEU 22 HD* - MET 23 HE* [ 1.80 4.25] 0.00 0.17 0.00 0.00 0.00 0.22 0.00 0.00 0.25 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 - 5 [ 0.04 .. 0.25]
2033-> MET 23 HB3 - ASP 37 HB* [ 1.80 5.87] 0.06 0.00 0.00 0.14 0.00 0.21 0.04 0.00 0.00 0.04 0.00 0.14 0.17 0.06 0.14 0.09 0.05 0.14 0.18 0.01 - 14 [ 0.01 .. 0.21]
2062-> LYS 27 HD* - VAL 97 HG1* [ 1.80 3.51] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.20 0.00 0.00 0.04 0.00 0.00 0.07 0.00 0.00 - 4 [ 0.04 .. 0.20]
2063-> GLU 29 HG* - ASN 93 HD2* [ 1.80 4.93] 0.12 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 0.00 - 2 [ 0.06 .. 0.12]
2121-> ASP 42 HN - ASN 107 HB* [ 1.80 4.39] 0.00 0.00 0.10 0.00 0.03 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.14 - 5 [ 0.03 .. 0.14]
2136-> MET 46 HB* - LYS 48 HE* [ 1.80 4.52] 0.12 0.00 0.00 0.17 0.02 0.00 0.00 0.03 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.02 .. 0.17]
2152-> LYS 48 HD* - PHE 67 HD* [ 1.80 5.59] 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.08 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.25 0.00 0.00 - 4 [ 0.08 .. 0.26]
2154-> LYS 48 HE* - PHE 67 HZ [ 1.80 5.05] 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.09 0.00 0.00 0.00 - 3 [ 0.09 .. 0.22]
2177-> ILE 54 HD1* - GLU 59 HB* [ 1.80 5.54] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
2178-> ILE 54 HD1* - GLU 59 HG* [ 1.80 4.84] 0.00 0.00 0.10 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.03 0.02 0.00 0.00 0.00 - 5 [ 0.02 .. 0.10]
2244-> GLU 76 HG3 - SER 78 HB* [ 1.80 5.21] 0.05 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.11 - 4 [ 0.01 .. 0.11]
2271-> GLU 89 HB2 - ASP 90 HB* [ 1.80 5.29] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
2319-> ARG 104 HG* - ASN 105 HA [ 1.80 5.87] 0.00 0.01 0.00 0.08 0.14 0.12 0.00 0.00 0.04 0.00 0.00 0.00 0.06 0.10 0.09 0.00 0.00 0.00 0.04 0.00 - 9 [ 0.01 .. 0.14]
2341-> GLN 116 HA - TRP 120 HB* [ 1.80 4.36] 0.04 0.11 0.03 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.08 0.06 0.10 0.04 0.11 0.07 0.05 0.09 - 13 [ 0.02 .. 0.11]
2352-> ARG 117 HG* - PHE 118 HA [ 1.80 4.84] 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.06 0.07 0.00 - 4 [ 0.06 .. 0.13]
2354-> ARG 117 HD* - PHE 118 HA [ 1.80 4.06] 0.00 0.00 0.10 0.00 0.32 0.20 0.00 0.00 0.17 0.17 0.15 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.10 .. 0.32]
-------------------------------------------
Number of Violations greater than 0.10 14 21 12 10 14 12 10 12 11 9 13 9 15 11 13 11 14 13 11 9
-------------------------------------------
---- 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: 13 18 10 7 12 6 8 11 8 6 13 8 10 8 10 8 12 10 8 8 9.70
0.2 - 0.5 ang: 1 3 2 3 2 6 2 1 3 3 0 1 5 3 3 3 2 3 3 1 2.50
> 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 45 49 59 40 41 44 47 40 46 44 43 34 42 36 39 36 49 55 45 46 44.00
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 : 0.214 0.296 0.234 0.268 0.323 0.248 0.278 0.272 0.255 0.251 0.192 0.204 0.292 0.229 0.225 0.322 0.221 0.251 0.326 0.210 0.326
Max Intra Viol : 0.087 0.131 0.186 0.000 0.090 0.181 0.021 0.272 0.097 0.000 0.080 0.000 0.261 0.000 0.010 0.087 0.151 0.000 0.000 0.017 0.272
Max Seque Viol : 0.214 0.296 0.180 0.268 0.323 0.239 0.170 0.194 0.255 0.178 0.173 0.189 0.225 0.229 0.221 0.322 0.201 0.166 0.326 0.210 0.326
Max Medium Viol : 0.133 0.186 0.088 0.175 0.188 0.123 0.101 0.068 0.073 0.211 0.150 0.136 0.134 0.089 0.142 0.092 0.176 0.164 0.126 0.161 0.211
Max Long Viol : 0.197 0.188 0.234 0.227 0.233 0.248 0.278 0.182 0.241 0.251 0.192 0.204 0.292 0.189 0.225 0.181 0.221 0.251 0.185 0.137 0.292
Average Violation : 0.001 0.002 0.002 0.001 0.001 0.002 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.001 0.001 0.001 0.002 0.001 0.001 0.00140
Avge Intra Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.00017
Avge Seque Viol : 0.001 0.002 0.001 0.001 0.001 0.001 0.001 0.000 0.000 0.001 0.001 0.001 0.001 0.000 0.001 0.000 0.001 0.001 0.001 0.002 0.00084
Avge Mediu Viol : 0.003 0.006 0.002 0.004 0.004 0.005 0.003 0.004 0.005 0.003 0.004 0.003 0.003 0.005 0.002 0.005 0.003 0.003 0.004 0.002 0.00367
Avge Long Viol : 0.002 0.002 0.003 0.002 0.002 0.002 0.003 0.001 0.002 0.002 0.002 0.002 0.003 0.002 0.003 0.001 0.002 0.003 0.002 0.002 0.00216
RMS Violation : 0.013 0.015 0.014 0.013 0.014 0.015 0.012 0.013 0.013 0.013 0.012 0.011 0.016 0.013 0.013 0.014 0.013 0.014 0.014 0.011 0.01342
RMS Intra : 0.004 0.005 0.007 0.000 0.004 0.007 0.001 0.011 0.004 0.000 0.003 0.000 0.013 0.000 0.000 0.003 0.008 0.000 0.000 0.001 0.00511
RMS Sequential : 0.009 0.014 0.007 0.008 0.010 0.008 0.006 0.005 0.005 0.013 0.007 0.007 0.009 0.005 0.009 0.005 0.011 0.010 0.008 0.012 0.00886
RMS Medium range : 0.022 0.032 0.017 0.025 0.028 0.029 0.020 0.024 0.027 0.019 0.021 0.019 0.020 0.031 0.015 0.033 0.018 0.018 0.030 0.015 0.02381
RMS Long range : 0.017 0.013 0.020 0.016 0.014 0.018 0.018 0.014 0.016 0.016 0.015 0.014 0.020 0.013 0.019 0.012 0.016 0.021 0.014 0.012 0.01621
Final --global-- Summary for 20 models, 2377 NOEs/model, 47540 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 66.363
Summ sq. viol : 8.566
Maximum viol : 0.326
Average viol : 0.00140
RMSD viol : 0.01342
Std. Dev. viol : 0.01335
RMS Intra : 0.00511
RMS Seque : 0.00886
RMS Medi : 0.02381
RMS Long : 0.01621
table of dihedral angle constraints violations
1-> [ARG A 5] PHI -156.2 -96.2 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.6 2.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 - 4 [ 0.0 .. 2.2]
2-> [ARG A 5] PSI 119.8 179.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.5]
4-> [TYR A 6] PSI 99.9 159.9 0.0 0.0 1.1 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 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.1]
5-> [ILE A 7] PHI -140.2 -80.2 0.0 0.0 2.9 1.8 1.8 4.2 1.3 2.7 2.7 0.0 0.0 0.0 2.6 1.4 0.0 1.2 0.3 2.9 1.9 0.0 - 13 [ 0.0 .. 4.2]
7-> [THR A 8] PHI -139.8 -79.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.5]
11-> [MET A 10] PSI 125.2 -174.8 0.0 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.4]
18-> [GLU A 14] PHI -95.4 -35.4 0.0 2.4 1.3 0.0 0.0 0.0 2.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 - 4 [ 0.0 .. 2.4]
23-> [SER A 16] PSI -41.0 19.0 0.0 0.0 0.0 2.0 1.6 0.0 0.0 0.0 3.0 0.0 0.0 2.1 1.0 0.0 0.2 0.3 0.0 0.0 1.4 0.0 - 8 [ 0.0 .. 3.0]
28-> [PHE A 20] PHI -148.9 -89.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.9]
29-> [PHE A 20] PSI 104.4 164.4 2.3 0.0 0.0 1.8 0.0 0.0 0.9 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 2.3]
30-> [MET A 21] PHI -128.3 -68.3 0.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.5]
33-> [PRO A 24] PSI 114.1 174.1 0.0 0.0 0.0 2.2 3.4 0.0 1.7 0.8 3.7 0.0 0.0 1.2 2.4 0.5 0.0 0.7 0.0 0.0 0.0 0.0 - 9 [ 0.0 .. 3.7]
36-> [GLN A 26] PHI -142.6 -82.6 0.0 0.0 0.0 0.0 0.0 2.2 0.0 0.0 5.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 - 3 [ 0.0 .. 5.3]
37-> [GLN A 26] PSI 101.1 161.1 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.3]
39-> [LYS A 27] PSI 100.3 160.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 - 1 [ 0.0 .. 2.3]
40-> [VAL A 28] PHI -138.1 -78.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 2.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.7]
45-> [LEU A 32] PSI 115.6 175.6 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.7 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.7]
46-> [CYS A 33] PHI -144.3 -84.3 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 1.3 0.2 0.0 0.0 1.0 0.0 - 5 [ 0.0 .. 1.3]
50-> [ARG A 35] PHI -154.6 -94.6 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.8 0.0 - 2 [ 0.0 .. 1.8]
51-> [ARG A 35] PSI 121.6 -178.4 3.2 0.0 1.0 0.6 1.6 1.7 0.3 1.1 0.0 0.0 3.1 0.0 1.8 3.4 3.1 4.8 0.0 0.0 0.0 1.9 - 13 [ 0.0 .. 4.8]
53-> [ILE A 36] PSI 123.5 -176.5 1.6 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.8 0.6 1.2 0.0 1.4 0.0 0.0 3.4 1.9 1.5 0.0 0.0 - 9 [ 0.0 .. 3.4]
56-> [GLN A 38] PHI -99.7 -39.7 0.0 3.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.7]
58-> [ILE A 40] PHI -131.4 -71.4 0.8 0.0 0.4 0.0 1.5 0.0 0.7 0.2 0.0 0.0 0.0 1.5 0.2 0.0 1.2 0.1 0.0 0.0 0.0 0.0 - 10 [ 0.0 .. 1.5]
71-> [LEU A 47] PSI 105.5 165.5 2.1 1.4 1.8 1.6 1.1 2.0 0.0 2.7 3.0 2.5 0.0 0.6 0.0 0.8 0.9 1.7 2.9 1.2 0.7 0.4 - 17 [ 0.0 .. 3.0]
80-> [SER A 52] PHI -146.7 -86.7 0.0 0.0 0.0 0.4 0.0 0.4 0.2 0.8 0.3 1.6 0.4 0.0 1.1 0.4 0.0 0.6 0.0 1.3 0.0 0.2 - 12 [ 0.0 .. 1.6]
87-> [ARG A 57] PSI 118.6 178.6 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3]
91-> [THR A 60] PSI 123.1 -176.9 0.0 0.0 2.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.2]
104-> [PHE A 67] PHI -148.0 -88.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.3]
111-> [GLU A 70] PSI -28.8 31.2 1.4 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 1.5 0.6 0.7 0.0 0.0 0.5 0.0 - 7 [ 0.0 .. 1.5]
118-> [GLU A 76] PHI -164.0 -104.0 0.0 2.1 3.8 1.5 0.0 0.8 3.4 1.2 1.7 0.0 2.6 0.0 0.0 3.6 2.7 4.2 0.0 4.3 1.6 2.0 - 15 [ 0.0 .. 4.3]
121-> [ILE A 77] PSI 104.2 164.2 0.4 0.0 0.0 1.4 0.5 0.0 1.2 1.5 0.0 1.2 0.0 0.0 1.5 0.0 0.6 0.1 1.3 0.0 0.0 0.0 - 11 [ 0.0 .. 1.5]
123-> [SER A 78] PSI 107.6 167.6 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.2]
124-> [PRO A 79] PSI 116.7 176.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.1]
127-> [PHE A 83] PHI -132.1 -72.1 0.0 0.0 0.0 0.0 0.0 0.4 0.0 1.3 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 2.3 - 5 [ 0.0 .. 2.3]
129-> [HIS A 86] PHI -149.3 -89.3 0.0 0.0 0.0 3.8 0.0 0.0 0.0 0.0 2.8 0.0 0.0 3.5 1.3 2.1 0.0 2.8 2.8 0.0 0.0 0.5 - 8 [ 0.0 .. 3.8]
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 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 - 1 [ 0.0 .. 2.3]
168-> [ASP A 106] PSI 5.4 65.4 1.8 0.0 0.0 2.2 1.8 0.6 0.4 0.0 0.0 2.0 0.0 0.0 0.0 0.9 0.4 0.0 0.3 1.9 0.0 0.0 - 10 [ 0.0 .. 2.2]
169-> [THR A 108] PHI -140.9 -80.9 0.0 0.0 0.0 1.3 3.9 2.4 0.0 0.0 0.0 0.0 0.0 2.2 0.0 0.0 0.0 0.0 0.0 0.0 1.1 1.1 - 6 [ 0.0 .. 3.9]
170-> [THR A 108] PSI 103.0 163.0 2.0 0.0 0.5 0.6 0.0 0.0 2.7 0.0 3.8 0.0 2.2 0.2 0.0 0.0 1.1 0.4 0.0 1.5 0.0 0.0 - 11 [ 0.0 .. 3.8]
172-> [VAL A 109] PSI 92.1 152.1 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.8]
174-> [ARG A 110] PSI 126.3 -173.7 0.0 0.0 0.0 0.0 0.0 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.2]
175-> [VAL A 111] PHI -143.8 -83.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.4]
187-> [ARG A 117] PHI -100.5 -40.5 0.0 0.0 1.7 3.6 0.0 0.7 0.0 0.0 1.7 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 3.6]
188-> [ARG A 117] PSI -71.2 -11.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 - 1 [ 0.0 .. 2.0]
191-> [ALA A 119] PHI -120.3 -60.3 0.0 1.4 0.0 0.8 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 3.1 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 3.1]
192-> [ALA A 119] PSI -60.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.6 0.0 1.5 1.6 0.0 0.0 0.7 2.5 0.0 - 7 [ 0.0 .. 2.5]
197-> [LYS A 92] CHI2 160.0 -160.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.7]
202-> [TRP A 120] CHI1 160.0 -160.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 - 2 [ 0.0 .. 1.1]
---- 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 : 9 7 7 13 11 7 6 7 11 5 7 7 8 8 8 9 6 7 8 4 7.75
> 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 17 7 11 17 14 16 13 12 16 9 14 10 12 16 16 19 12 11 11 12 13.25
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 : 3.2 3.7 3.8 3.8 3.9 4.2 3.4 2.7 5.3 2.7 3.1 3.5 2.6 3.6 3.1 4.8 2.9 4.3 2.5 2.3 5.34
Max PHI Viol : 2.9 3.7 3.8 3.8 3.9 4.2 3.4 2.7 5.3 2.7 2.6 3.5 2.6 3.6 3.1 4.2 2.8 4.3 2.3 2.3 5.34
Max PSI Viol : 3.2 1.6 2.2 2.2 3.4 3.4 2.7 2.7 3.8 2.5 3.1 2.1 2.4 3.4 3.1 4.8 2.9 1.9 2.5 1.9 4.77
Max CHI1 Viol : 0.0 0.0 0.0 1.1 0.6 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 0.5 1.09
Max CHI2 Viol : 0.3 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.65
Average Violation : 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.2 0.1 0.1 0.1 0.1 0.1 0.1 0.2 0.1 0.1 0.1 0.0 0.095
Avge PHI Viol : 0.224 0.350 0.327 0.372 0.273 0.358 0.284 0.307 0.451 0.232 0.285 0.318 0.235 0.322 0.325 0.319 0.238 0.324 0.318 0.260 0.311
Avge PSI Viol : 0.418 0.177 0.264 0.359 0.405 0.336 0.289 0.253 0.398 0.265 0.303 0.266 0.315 0.328 0.340 0.470 0.338 0.268 0.271 0.162 0.320
Avge CHI1 Viol : 0.000 0.000 0.000 0.522 0.377 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 0.343 0.163
Avge CHI2 Viol : 0.220 0.000 0.000 0.524 0.000 0.000 0.000 0.000 0.000 0.283 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.142
RMS Violation : 0.462 0.416 0.439 0.550 0.504 0.541 0.396 0.359 0.720 0.339 0.390 0.425 0.352 0.455 0.448 0.678 0.407 0.445 0.383 0.269 0.461
RMS PHI Viol : 0.317 0.564 0.544 0.608 0.462 0.565 0.438 0.390 0.774 0.335 0.374 0.516 0.316 0.484 0.477 0.543 0.314 0.557 0.419 0.335 0.481
RMS PSI Viol : 0.593 0.219 0.334 0.477 0.566 0.547 0.374 0.348 0.705 0.358 0.427 0.340 0.402 0.451 0.444 0.824 0.503 0.328 0.368 0.196 0.465
RMS CHI1 Viol : 0.000 0.000 0.000 0.545 0.284 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 0.235 0.147
RMS CHI2 Viol : 0.119 0.000 0.000 0.674 0.000 0.000 0.000 0.000 0.000 0.197 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.159
Final --global-- Summary for 20 models, 203 ACOs/model, 4060 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 386.60
Summ. Sq. Viol. : 863.82
Max. Viol. : 5.335
Avg. Viol. : 0.09522
RMS Viol. : 0.46126
Std. Dev. Viol. : 0.45133
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 0.840 0.189 0.340 0.387
PRO A 2 0.992 0.636 0.938 0.853
ALA A 3 0.681 0.866
SER A 4 0.916 0.938 0.325 4 4
ARG A 5 0.934 0.985 0.994 0.998 0.428 0.851 0.998 5 5
TYR A 6 0.975 0.995 0.996 0.151 6 6
ILE A 7 0.998 0.989 0.997 0.999 7 7
THR A 8 0.975 0.980 0.998 8 8
ASP A 9 0.996 0.993 0.525 0.570 9 9
MET A 10 0.991 0.990 0.270 0.909 0.054 10 10
THR A 11 0.990 0.992 0.555 11 11
ILE A 12 0.998 0.998 0.991 0.490 12 12
GLU A 13 0.996 0.986 0.997 0.700 0.274 13 13
GLU A 14 0.982 0.993 0.787 0.619 0.314 14 14
LEU A 15 0.998 0.993 0.944 0.891 15 15
SER A 16 0.988 0.989 0.333 16 16
ARG A 17 0.992 0.993 0.995 0.600 0.799 0.760 0.998 17 17
ASP A 18 0.994 0.980 0.235 0.408 18 18
TRP A 19 0.992 0.985 0.994 0.993 19 19
PHE A 20 0.962 0.986 0.993 0.705 20 20
MET A 21 0.975 0.958 0.636 0.920 0.514 21 21
LEU A 22 0.957 0.988 0.592 0.652 22 22
MET A 23 0.994 0.993 0.997 0.985 0.467 23 23
PRO A 24 0.998 0.980 0.944 0.858 24 24
LYS A 25 0.956 0.989 0.996 0.528 0.788 0.179 25 25
GLN A 26 0.968 0.991 0.986 0.357 0.482 26 26
LYS A 27 0.974 0.962 0.991 0.866 0.450 0.399 27 27
VAL A 28 0.928 0.984 0.997 28 28
GLU A 29 0.987 0.995 0.993 0.994 0.915 29 29
GLY A 30 0.997 0.988 30 30
PRO A 31 0.994 0.991 0.941 0.889 31 31
LEU A 32 0.997 0.942 0.997 0.710 32 32
CYS A 33 0.943 0.984 0.463 33 33
ILE A 34 0.989 0.969 0.999 0.999 34 34
ARG A 35 0.967 0.998 0.780 0.334 0.534 0.638 0.998 35 35
ILE A 36 0.995 0.996 0.998 0.485 36 36
ASP A 37 0.989 0.994 0.914 0.247 37 37
GLN A 38 0.993 0.994 0.999 0.996 0.900 38 38
ALA A 39 0.987 0.984 39 39
ILE A 40 0.996 0.996 0.977 0.621 40 40
MET A 41 0.998 0.995 0.998 0.997 0.997 41 41
ASP A 42 0.996 0.972 0.672 0.633 42 42
LYS A 43 0.980 0.999 0.995 0.997 0.995 0.924 43 43
ASN A 44 0.998 0.998 0.997 0.800 44 44
ILE A 45 0.997 0.988 0.998 0.999 45 45
MET A 46 0.982 0.995 0.991 0.992 0.435 46 46
LEU A 47 0.995 0.987 0.981 0.487 47 47
LYS A 48 0.984 0.988 0.990 0.778 0.138 0.320 48 48
ALA A 49 0.994 0.994 49 49
ASN A 50 0.995 0.995 0.995 0.848 50 50
PHE A 51 0.998 0.999 0.999 0.796 51 51
SER A 52 0.999 0.996 0.249 52 52
VAL A 53 0.994 0.993 0.998 53 53
ILE A 54 0.991 0.998 0.997 0.999 54 54
PHE A 55 0.999 0.929 0.999 0.992 55 55
ASP A 56 0.912 0.982 0.671 0.375 56 56
ARG A 57 0.988 0.995 0.994 0.844 0.380 0.744 0.998 57 57
LEU A 58 0.999 0.993 0.997 0.999 58 58
GLU A 59 0.995 0.997 0.915 0.400 0.306 59 59
THR A 60 0.996 0.997 0.996 60 60
LEU A 61 0.998 0.994 1.000 0.999 61 61
ILE A 62 0.993 0.999 0.985 0.593 62 62
LEU A 63 0.998 0.999 0.999 0.999 63 63
LEU A 64 0.997 0.996 0.999 0.998 64 64
ARG A 65 0.996 0.992 0.393 0.987 0.041 0.593 0.994 65 65
ALA A 66 0.992 0.995 66 66
PHE A 67 0.951 0.965 0.530 0.161 67 67
THR A 68 0.985 0.993 0.996 68 68
GLU A 69 0.995 0.993 0.603 0.144 0.614 69 69
GLU A 70 0.987 0.978 0.760 0.475 0.297 70 70
GLY A 71 0.974 0.982 71 71
ALA A 72 0.985 0.980 72 72
ILE A 73 0.998 0.982 0.998 0.943 73 73
VAL A 74 0.984 0.988 0.999 74 74
GLY A 75 0.989 0.993 75 75
GLU A 76 0.999 0.994 0.997 0.992 0.303 76 76
ILE A 77 0.994 0.992 0.999 0.924 77 77
SER A 78 0.971 0.978 0.051 78 78
PRO A 79 0.997 0.985 0.931 0.832 79 79
LEU A 80 0.995 0.988 0.998 0.998 80 80
PRO A 81 0.996 0.752 0.925 0.834
SER A 82 0.738 0.978 0.488
PHE A 83 0.993 0.966 0.995 0.171 83 83
PRO A 84 0.976 0.736 0.916 0.877
GLY A 85 0.666 0.781
HIS A 86 0.930 0.965 0.909 0.807 86 86
THR A 87 0.978 0.992 0.595 87 87
ILE A 88 0.998 0.998 0.997 0.999 88 88
GLU A 89 0.996 0.993 0.939 0.460 0.320 89 89
ASP A 90 0.993 0.995 0.722 0.354 90 90
VAL A 91 0.999 0.994 0.999 91 91
LYS A 92 0.998 0.995 0.557 0.989 0.177 0.414 92 92
ASN A 93 0.998 0.999 0.996 0.219 93 93
ALA A 94 0.999 0.997 94 94
ILE A 95 0.998 0.998 0.999 1.000 95 95
GLY A 96 0.998 0.996 96 96
VAL A 97 0.998 0.999 0.997 97 97
LEU A 98 0.999 0.998 0.999 0.995 98 98
ILE A 99 0.999 0.998 0.948 0.998 99 99
GLY A 100 0.998 0.995 100 100
GLY A 101 0.991 0.991 101 101
LEU A 102 0.991 0.992 0.994 0.928 102 102
GLU A 103 0.998 0.998 0.927 0.437 0.709 103 103
ARG A 104 0.995 0.992 0.494 0.653 0.100 0.770 0.998 104 104
ASN A 105 0.995 0.990 0.997 0.889 105 105
ASP A 106 0.998 0.975 0.748 0.713 106 106
ASN A 107 0.969 0.946 0.425 0.257 107 107
THR A 108 0.958 0.997 0.999 108 108
VAL A 109 0.987 0.993 0.997 109 109
ARG A 110 0.997 0.993 0.923 0.858 0.358 0.751 0.998 110 110
VAL A 111 0.991 0.996 0.999 111 111
SER A 112 0.997 0.995 0.548 112 112
LYS A 113 0.997 0.994 0.457 0.425 0.333 0.276 113 113
THR A 114 0.997 0.998 0.998 114 114
LEU A 115 0.999 0.997 0.994 0.997 115 115
GLN A 116 0.992 0.989 0.997 0.999 0.957 116 116
ARG A 117 0.979 0.974 0.839 0.577 0.510 0.687 0.994 117 117
PHE A 118 0.982 0.991 0.996 0.987 118 118
ALA A 119 0.990 0.991 119 119
TRP A 120 0.977 0.751 0.996 0.994
GLY A 121 0.625 0.210
SER A 122 0.566 0.687 0.374
SER A 123 0.836 0.437 0.109
ASN A 124 0.483 0.607 0.195 0.052
GLU A 125 0.852 0.720 0.175 0.296 0.217
ASN A 126 0.836 0.593 0.280 0.060
GLY A 127 0.414 0.147
ARG A 128 0.351 0.936 0.503 0.642 0.101 0.736 0.997
PRO A 129 0.987 0.967 0.919 0.841 129 129
PRO A 130 0.995 0.932 0.939 0.847 130 130
LEU A 131 0.960 0.929 0.998 0.999 131 131
THR A 132 0.964 0.885 0.878 132
LEU A 133 0.885 0.896 0.614 0.657 133
GLU A 134 0.904 0.594 0.661 0.264
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_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 1 is: 3.924
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 2 is: 3.335
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 3 is: 3.753
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 4 is: 2.123 (*)
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 5 is: 2.942
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 6 is: 5.346
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 7 is: 4.309
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 8 is: 2.909
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 9 is: 2.569
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 10 is: 5.091
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 11 is: 2.827
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 12 is: 5.091
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 13 is: 2.790
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 14 is: 3.555
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 15 is: 3.577
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 16 is: 2.953
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 17 is: 2.373
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 18 is: 2.330
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 19 is: 3.112
> Kabsch RMSD of backbone atoms in res. A[4..80],A[86..119],A[129..131],for model 20 is: 3.570
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[4..80],[86..119],[129..131], is: 3.424
> Range of RMSD values to reference struct. is 2.123 to 5.346
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 1 is: 3.890
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 2 is: 3.290
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 3 is: 3.743
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 4 is: 2.179 (*)
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 5 is: 2.935
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 6 is: 5.253
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 7 is: 4.287
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 8 is: 2.919
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 9 is: 2.631
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 10 is: 4.976
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 11 is: 2.870
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 12 is: 5.021
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 13 is: 2.847
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 14 is: 3.460
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 15 is: 3.599
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 16 is: 2.886
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 17 is: 2.504
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 18 is: 2.477
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 19 is: 3.150
> Kabsch RMSD of heavy atoms in res. A[4..80],A[86..119],A[129..131],for model 20 is: 3.548
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[4..80],[86..119],[129..131], is: 3.423
> Range of RMSD values to reference struct. is 2.179 to 5.253
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..134],for model 1 is: 5.927
> Kabsch RMSD of backb atoms in res. *[1..134],for model 2 is: 5.509
> Kabsch RMSD of backb atoms in res. *[1..134],for model 3 is: 5.982
> Kabsch RMSD of backb atoms in res. *[1..134],for model 4 is: 3.777
> Kabsch RMSD of backb atoms in res. *[1..134],for model 5 is: 5.187
> Kabsch RMSD of backb atoms in res. *[1..134],for model 6 is: 8.530
> Kabsch RMSD of backb atoms in res. *[1..134],for model 7 is: 6.509
> Kabsch RMSD of backb atoms in res. *[1..134],for model 8 is: 4.787
> Kabsch RMSD of backb atoms in res. *[1..134],for model 9 is: 3.963
> Kabsch RMSD of backb atoms in res. *[1..134],for model 10 is: 8.297
> Kabsch RMSD of backb atoms in res. *[1..134],for model 11 is: 4.444
> Kabsch RMSD of backb atoms in res. *[1..134],for model 12 is: 7.836
> Kabsch RMSD of backb atoms in res. *[1..134],for model 13 is: 4.103
> Kabsch RMSD of backb atoms in res. *[1..134],for model 14 is: 5.721
> Kabsch RMSD of backb atoms in res. *[1..134],for model 15 is: 5.262
> Kabsch RMSD of backb atoms in res. *[1..134],for model 16 is: 4.794
> Kabsch RMSD of backb atoms in res. *[1..134],for model 17 is: 4.053
> Kabsch RMSD of backb atoms in res. *[1..134],for model 18 is: 3.368 (*)
> Kabsch RMSD of backb atoms in res. *[1..134],for model 19 is: 5.034
> Kabsch RMSD of backb atoms in res. *[1..134],for model 20 is: 4.982
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..134], is: 5.403
> Range of RMSD values to reference struct. is 3.368 to 8.530
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 1 is: 6.083
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 2 is: 5.694
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 3 is: 6.179
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 4 is: 3.966
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 5 is: 5.306
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 6 is: 8.740
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 7 is: 6.731
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 8 is: 4.991
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 9 is: 4.228
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 10 is: 8.444
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 11 is: 4.666
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 12 is: 8.027
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 13 is: 4.293
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 14 is: 5.724
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 15 is: 5.371
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 16 is: 4.873
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 17 is: 4.269
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 18 is: 3.665 (*)
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 19 is: 5.227
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 20 is: 5.178
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..134], is: 5.583
> Range of RMSD values to reference struct. is 3.665 to 8.740
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 4.1 4.1
All heavy atoms 5.6 4.0 4.0
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_NMR_em_bcr3_020.rin 0.0 2300 residues |
| |
*| Ramachandran plot: 87.9% core 12.1% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 49 labelled residues (out of2300) |
+| Chi1-chi2 plots: 1 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 -1.23
5 -0.51
6 -0.65
7 -0.48
8 -2.51
9 0.61
10 -0.29
11 -0.47
12 0.20
13 -0.37
14 -0.04
15 0.87
16 -0.70
17 -0.50
18 -0.30
19 -0.39
20 -0.06
21 -0.74
22 0.16
23 -1.87
24 -1.22
25 -0.53
26 -0.94
27 -0.53
28 -0.09
29 -1.93
30 -0.59
31 -2.58
32 -0.76
33 -0.09
34 -0.37
35 -0.56
36 0.22
37 -0.09
38 -0.27
39 -0.71
40 -1.61
41 -0.63
42 -1.05
43 -0.35
44 -0.26
45 0.08
46 -0.40
47 -0.68
48 -0.28
49 -0.53
50 -0.18
51 -0.08
52 -0.16
53 0.11
54 -1.10
55 -1.84
56 -1.11
57 -0.75
58 -0.82
59 -1.97
60 -0.76
61 -0.39
62 -1.01
63 -2.30
64 -0.60
65 -0.45
66 -1.35
67 -0.09
68 -1.23
69 0.29
70 -0.05
71 0.57
72 -1.42
73 -1.05
74 -1.91
75 -0.29
76 -1.50
77 -0.73
78 -0.75
79 -0.11
80 -0.50
86 -0.63
87 -0.40
88 -0.11
89 0.82
90 1.09
91 0.85
92 0.99
93 1.13
94 0.77
95 0.72
96 0.77
97 0.39
98 0.64
99 0.88
100 0.94
101 0.52
102 0.38
103 0.81
104 0.54
105 0.21
106 -2.43
107 -0.82
108 -2.03
109 -0.57
110 -0.56
111 -0.81
112 -0.07
113 0.64
114 0.50
115 0.66
116 0.59
117 -0.68
118 -1.13
119 -3.08
129 -0.43
130 -1.35
131 -1.95
132 -0.64
#Reported_Model_Average -0.456
#Overall_Average_Reported -0.456
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 -0.68
5 0.11
6 -0.17
7 -0.30
8 -1.34
9 0.18
10 -0.23
11 -0.31
12 -0.50
13 0.18
14 -0.26
15 -0.02
16 -0.44
17 -0.10
18 -0.51
19 -0.43
20 -0.15
21 -0.20
22 -0.30
23 -0.71
24 -1.22
25 -0.11
26 -0.91
27 -0.44
28 0.23
29 -1.22
30 -0.59
31 -2.58
32 -0.62
33 0.08
34 -0.51
35 -0.24
36 0.20
37 -0.61
38 0.21
39 -0.71
40 -1.53
41 0.09
42 -0.85
43 -0.09
44 -0.26
45 0.29
46 -0.56
47 -0.78
48 0.21
49 -0.53
50 -0.41
51 -0.21
52 -0.14
53 0.40
54 -1.12
55 -0.90
56 -1.10
57 -0.64
58 -0.95
59 -1.17
60 -0.11
61 0.05
62 -0.90
63 -0.93
64 -0.86
65 0.09
66 -1.35
67 -0.08
68 -0.57
69 -0.18
70 0.01
71 0.57
72 -1.42
73 -0.64
74 -1.05
75 -0.29
76 -0.40
77 -0.05
78 -0.41
79 -0.11
80 0.18
86 -0.72
87 -0.20
88 -0.65
89 0.58
90 0.14
91 0.57
92 0.83
93 0.85
94 0.77
95 0.60
96 0.77
97 0.49
98 0.44
99 0.68
100 0.94
101 0.52
102 0.49
103 0.74
104 0.33
105 -0.46
106 -1.52
107 -0.66
108 -0.90
109 -0.40
110 0.01
111 -0.90
112 -0.02
113 0.21
114 0.35
115 0.66
116 0.84
117 -1.23
118 -0.68
119 -3.08
129 -0.43
130 -1.35
131 -0.57
132 -0.24
#Reported_Model_Average -0.314
#Overall_Average_Reported -0.314
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 0.17 0.34 0.34 0.34 0.17 0.59 0.17 0.34 0.17 0.34 0.34 0.17 0.17 0.34 0.34 0.17 0.17 0.59 0.34 0.34
5 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
6 -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
7 1.07 1.07 0.26 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.26 1.07 0.09 1.07 1.50 1.07 1.07 1.07 0.26
8 -0.17 -0.17 0.79 0.79 0.79 0.79 -0.17 0.79 -0.17 0.79 0.79 0.79 0.79 0.79 0.79 -0.17 -0.17 0.79 -0.17 0.79
9 0.34 0.51 0.34 0.34 0.51 0.34 0.51 0.51 0.51 0.34 0.34 0.34 0.51 0.34 0.34 0.34 0.34 0.34 0.34 0.34
10 1.00 1.00 1.00 1.00 0.91 0.91 1.00 0.91 0.91 0.91 0.91 1.00 1.00 0.91 1.00 1.00 0.91 1.00 0.91 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 -0.59 -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 -0.58 -0.58 0.09 -0.43 -0.43 0.09 -0.58 0.09 0.09 -0.43 0.09 0.09 -0.43 -0.43 -0.43 -0.43 0.09 -0.43 0.09 -0.58
15 -0.30 -0.46 -0.30 0.71 -0.30 -0.30 -0.46 -0.30 -0.30 -0.30 -0.30 -0.46 -0.30 -0.46 0.71 -0.30 -0.46 -0.30 -0.30 -0.46
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 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24
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 -1.63 -1.63 -0.84 -1.63 -1.63 -1.63 -0.84 -0.84 -1.63 -0.84 -0.84 -1.63 -0.84 -1.63 -0.84 -0.84 -1.63
21 0.23 0.23 1.00 1.00 0.23 1.00 1.00 1.00 1.00 0.23 0.23 0.23 0.23 1.00 0.23 0.23 0.23 0.23 1.00 0.23
22 -0.33 -0.33 -0.68 -0.68 -0.33 -0.68 -0.68 -1.14 -0.68 -0.68 -0.68 -0.68 -0.33 -0.68 -1.14 -0.68 -1.14 -0.68 -0.68 -1.14
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 0.55 0.55 0.55 0.55 0.35 0.55 0.55 0.55 0.35 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.55
26 0.10 0.10 0.10 0.10 0.10 -0.12 0.10 0.10 -0.12 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 -2.38 -0.12 0.10
27 0.55 0.55 0.55 0.55 -2.01 0.55 0.55 -2.01 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 0.08 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
29 -0.68 -0.42 -0.68 -0.68 0.41 -0.68 -0.68 0.41 -0.68 -0.68 -0.68 -0.68 -0.68 0.41 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 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
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 1.07 1.07 1.07
33 1.28 -0.04 -0.04 1.28 1.28 1.28 1.28 -0.87 -0.87 1.28 -0.04 -0.87 1.28 1.28 -0.04 1.28 1.28 1.28 -0.04 -0.04
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 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.19 0.19 -0.89
36 1.07 1.07 1.07 1.07 1.07 1.50 1.07 1.07 1.07 1.50 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
37 -2.08 -2.08 -0.61 -0.61 -2.08 -1.80 -2.08 -0.61 -1.80 -2.08 -0.61 -2.08 -2.08 -0.61 -2.08 -2.08 -2.08 -2.08 -2.08 -1.80
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 0.10 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 0.93 0.93 0.93 -0.28 0.81 0.93 0.81 0.93 0.93 0.81 0.93 0.81 0.81 0.93 0.93 0.81 0.81 0.93 0.93 -0.28
41 -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
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 0.23 0.23 0.23 0.23
43 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47
44 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00
45 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.50 1.07 1.50 1.50 1.07 1.50 1.50 1.07 1.50
46 -0.68 0.49 -0.68 0.49 -0.76 -0.68 -0.68 -0.76 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 0.49 -0.40 -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 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 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 -0.92 -0.92 -0.26 -0.26 -0.26 -0.92 -0.26 -0.92 -0.92 -0.92 -0.26 -0.92 -0.92 -0.92 -2.18 -0.92 -0.92 -0.92 -0.26 -0.92
51 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 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 0.71 0.44 1.18 0.16 1.18 0.71 0.71 1.18 1.18 0.71 1.18 1.18 1.18 1.18 0.71 0.71 0.71
54 1.07 0.26 0.26 -0.35 0.26 0.26 0.26 0.09 0.26 0.09 0.09 -0.35 1.07 0.26 -0.35 0.26 0.26 0.26 0.26 0.26
55 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -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 0.51 0.23 0.23 0.23 0.51 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.51 0.51 0.23 0.51 0.51
57 0.19 0.84 0.84 0.84 0.19 0.84 0.84 0.84 0.84 0.84 0.84 0.19 0.19 0.84 0.19 0.84 0.19 0.84 0.84 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 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 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 0.79 0.79 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 0.09 0.09 -0.35 0.09 0.09 -0.35 0.09 -0.35 0.09 0.09 0.09 0.09 0.09 0.09 -0.35 0.09 0.09 -0.35
63 0.36 0.14 0.14 0.14 0.36 0.14 0.36 0.36 0.36 0.36 0.14 0.36 0.14 0.36 0.36 0.14 0.36 0.14 0.36 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 -0.41 -0.41 -1.52 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -1.52 -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 0.96 1.32 0.96 0.37 1.32 0.96 1.32 1.32 1.32 1.32 0.37 0.96 0.96 1.32 1.32 0.37 1.32 0.37
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 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
70 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 0.04 0.28 0.04 0.28 0.28
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 -0.25 0.14 0.14 0.49 -0.25 0.14 0.14 0.49 -0.25 0.14 -0.25 -0.25 0.14 0.14 0.14 0.14 -0.25 -0.25
73 1.07 1.07 0.26 1.07 1.07 1.07 1.07 0.26 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.26 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 -0.42 -0.20 -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 -0.65 -1.01 -0.65 -0.65 -1.01 -0.65 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -0.65 -0.65 -0.65 -0.65 -1.01
80 -0.33 -0.33 0.77 0.29 0.29 0.77 -0.68 0.77 0.29 0.77 0.77 -0.33 -0.33 0.77 -0.33 0.29 -0.33 0.29 -0.33 0.77
86 0.54 0.54 0.54 0.54 -0.61 -0.61 0.54 0.54 0.54 -0.61 -0.61 0.54 0.54 -0.61 0.54 0.54 0.54 -0.61 0.54 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 0.08 0.08 0.08 0.08 0.08 0.08 0.08
88 0.55 0.55 -0.02 0.55 -0.02 -0.02 0.55 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.55 -0.02 0.55
89 0.62 0.62 0.62 0.09 0.62 0.62 0.62 0.62 -0.58 0.60 0.62 0.62 0.62 0.60 0.62 0.60 0.62 0.62 0.60 0.60
90 -0.28 -0.28 -0.28 -0.28 -0.28 0.29 -0.28 -0.28 0.29 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 0.29 0.29 -0.28 0.29 -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 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.66 0.56 0.56 0.56 0.56 0.56 0.56 0.66 0.56 0.56 0.56
93 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 0.32 -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 0.41 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 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 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 -0.43 0.62 -0.43 0.62 0.62 0.62 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62
104 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 -0.20 -0.20 0.56 0.56 -0.20 0.56 0.56 0.56 -0.20
105 0.09 0.51 0.09 -0.56 -0.26 -0.26 0.09 -0.26 -0.26 0.09 -0.56 -0.26 0.09 -0.26 0.09 0.09 0.09 -0.56 0.09 0.09
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 0.23 0.23 0.23 0.23 0.23 0.23 0.23
107 -2.61 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56
108 -0.17 0.79 0.79 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 0.79 -0.17 -0.17 -0.17 0.79 -0.17 0.79 0.79 -0.17 -0.17 -0.17
109 0.71 0.44 1.18 0.71 0.44 0.44 0.71 0.71 1.18 0.71 1.18 0.44 0.16 0.44 0.71 0.44 0.44 0.71 0.44 0.71
110 0.19 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 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 0.44 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
112 0.59 0.59 0.17 0.59 0.17 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.17 0.17 0.59 0.17 0.59 0.59 0.59 0.59
113 0.07 0.66 0.66 0.07 0.07 0.66 0.07 0.07 0.66 0.66 0.66 0.07 0.66 0.07 0.66 0.07 0.07 0.66 0.66 0.07
114 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 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 -0.32 -0.32 -0.32 -0.32 -0.32 0.62 0.62 -0.32 -0.32 0.62 -0.32 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 0.62
117 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 1.10 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
118 1.28 1.28 0.87 0.87 1.28 1.28 0.87 1.28 0.87 1.28 0.87 1.28 0.87 0.87 1.28 1.28 1.28 1.28 1.28 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 0.44 0.25 0.25 0.25 0.44 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.44 0.25
130 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25
131 -0.68 -1.14 -1.14 -1.14 -1.14 -1.14 -0.68 -1.14 -1.14 -1.14 -0.68 -1.14 -1.14 -1.14 -1.14 -0.68 -1.14 -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 0.343 0.375 0.367 0.386 0.324 0.370 0.363 0.356 0.345 0.397 0.368 0.310 0.338 0.384 0.357 0.372 0.360 0.320 0.374 0.311
#Overall_Average_Reported 0.356
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 0.17 0.34 0.34 0.34 0.17 0.59 0.17 0.34 0.17 0.34 0.34 0.17 0.17 0.34 0.34 0.17 0.17 0.59 0.34 0.34
5 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
6 -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
7 1.07 1.07 0.26 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.26 1.07 0.09 1.07 1.50 1.07 1.07 1.07 0.26
8 -0.17 -0.17 0.79 0.79 0.79 0.79 -0.17 0.79 -0.17 0.79 0.79 0.79 0.79 0.79 0.79 -0.17 -0.17 0.79 -0.17 0.79
9 0.34 0.51 0.34 0.34 0.51 0.34 0.51 0.51 0.51 0.34 0.34 0.34 0.51 0.34 0.34 0.34 0.34 0.34 0.34 0.34
10 1.00 1.00 1.00 1.00 0.91 0.91 1.00 0.91 0.91 0.91 0.91 1.00 1.00 0.91 1.00 1.00 0.91 1.00 0.91 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 -0.59 -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 -0.58 -0.58 0.09 -0.43 -0.43 0.09 -0.58 0.09 0.09 -0.43 0.09 0.09 -0.43 -0.43 -0.43 -0.43 0.09 -0.43 0.09 -0.58
15 -0.30 -0.46 -0.30 0.71 -0.30 -0.30 -0.46 -0.30 -0.30 -0.30 -0.30 -0.46 -0.30 -0.46 0.71 -0.30 -0.46 -0.30 -0.30 -0.46
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 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24
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 -1.63 -1.63 -0.84 -1.63 -1.63 -1.63 -0.84 -0.84 -1.63 -0.84 -0.84 -1.63 -0.84 -1.63 -0.84 -0.84 -1.63
21 0.23 0.23 1.00 1.00 0.23 1.00 1.00 1.00 1.00 0.23 0.23 0.23 0.23 1.00 0.23 0.23 0.23 0.23 1.00 0.23
22 -0.33 -0.33 -0.68 -0.68 -0.33 -0.68 -0.68 -1.14 -0.68 -0.68 -0.68 -0.68 -0.33 -0.68 -1.14 -0.68 -1.14 -0.68 -0.68 -1.14
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 0.55 0.55 0.55 0.55 0.35 0.55 0.55 0.55 0.35 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.55
26 0.10 0.10 0.10 0.10 0.10 -0.12 0.10 0.10 -0.12 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 -2.38 -0.12 0.10
27 0.55 0.55 0.55 0.55 -2.01 0.55 0.55 -2.01 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 0.08 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
29 -0.68 -0.42 -0.68 -0.68 0.41 -0.68 -0.68 0.41 -0.68 -0.68 -0.68 -0.68 -0.68 0.41 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 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
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 1.07 1.07 1.07
33 1.28 -0.04 -0.04 1.28 1.28 1.28 1.28 -0.87 -0.87 1.28 -0.04 -0.87 1.28 1.28 -0.04 1.28 1.28 1.28 -0.04 -0.04
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 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.19 0.19 -0.89
36 1.07 1.07 1.07 1.07 1.07 1.50 1.07 1.07 1.07 1.50 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
37 -2.08 -2.08 -0.61 -0.61 -2.08 -1.80 -2.08 -0.61 -1.80 -2.08 -0.61 -2.08 -2.08 -0.61 -2.08 -2.08 -2.08 -2.08 -2.08 -1.80
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 0.10 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 0.93 0.93 0.93 -0.28 0.81 0.93 0.81 0.93 0.93 0.81 0.93 0.81 0.81 0.93 0.93 0.81 0.81 0.93 0.93 -0.28
41 -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
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 0.23 0.23 0.23 0.23
43 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47
44 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00
45 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.50 1.07 1.50 1.50 1.07 1.50 1.50 1.07 1.50
46 -0.68 0.49 -0.68 0.49 -0.76 -0.68 -0.68 -0.76 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 0.49 -0.40 -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 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 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 -0.92 -0.92 -0.26 -0.26 -0.26 -0.92 -0.26 -0.92 -0.92 -0.92 -0.26 -0.92 -0.92 -0.92 -2.18 -0.92 -0.92 -0.92 -0.26 -0.92
51 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 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 0.71 0.44 1.18 0.16 1.18 0.71 0.71 1.18 1.18 0.71 1.18 1.18 1.18 1.18 0.71 0.71 0.71
54 1.07 0.26 0.26 -0.35 0.26 0.26 0.26 0.09 0.26 0.09 0.09 -0.35 1.07 0.26 -0.35 0.26 0.26 0.26 0.26 0.26
55 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -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 0.51 0.23 0.23 0.23 0.51 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.51 0.51 0.23 0.51 0.51
57 0.19 0.84 0.84 0.84 0.19 0.84 0.84 0.84 0.84 0.84 0.84 0.19 0.19 0.84 0.19 0.84 0.19 0.84 0.84 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 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 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 0.79 0.79 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 0.09 0.09 -0.35 0.09 0.09 -0.35 0.09 -0.35 0.09 0.09 0.09 0.09 0.09 0.09 -0.35 0.09 0.09 -0.35
63 0.36 0.14 0.14 0.14 0.36 0.14 0.36 0.36 0.36 0.36 0.14 0.36 0.14 0.36 0.36 0.14 0.36 0.14 0.36 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 -0.41 -0.41 -1.52 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -1.52 -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 0.96 1.32 0.96 0.37 1.32 0.96 1.32 1.32 1.32 1.32 0.37 0.96 0.96 1.32 1.32 0.37 1.32 0.37
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 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
70 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 0.04 0.28 0.04 0.28 0.28
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 -0.25 0.14 0.14 0.49 -0.25 0.14 0.14 0.49 -0.25 0.14 -0.25 -0.25 0.14 0.14 0.14 0.14 -0.25 -0.25
73 1.07 1.07 0.26 1.07 1.07 1.07 1.07 0.26 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.26 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 -0.42 -0.20 -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 -0.65 -1.01 -0.65 -0.65 -1.01 -0.65 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -0.65 -0.65 -0.65 -0.65 -1.01
80 -0.33 -0.33 0.77 0.29 0.29 0.77 -0.68 0.77 0.29 0.77 0.77 -0.33 -0.33 0.77 -0.33 0.29 -0.33 0.29 -0.33 0.77
86 0.54 0.54 0.54 0.54 -0.61 -0.61 0.54 0.54 0.54 -0.61 -0.61 0.54 0.54 -0.61 0.54 0.54 0.54 -0.61 0.54 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 0.08 0.08 0.08 0.08 0.08 0.08 0.08
88 0.55 0.55 -0.02 0.55 -0.02 -0.02 0.55 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.55 -0.02 0.55
89 0.62 0.62 0.62 0.09 0.62 0.62 0.62 0.62 -0.58 0.60 0.62 0.62 0.62 0.60 0.62 0.60 0.62 0.62 0.60 0.60
90 -0.28 -0.28 -0.28 -0.28 -0.28 0.29 -0.28 -0.28 0.29 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 0.29 0.29 -0.28 0.29 -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 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.66 0.56 0.56 0.56 0.56 0.56 0.56 0.66 0.56 0.56 0.56
93 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 0.32 -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 0.41 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 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 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 -0.43 0.62 -0.43 0.62 0.62 0.62 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62
104 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 -0.20 -0.20 0.56 0.56 -0.20 0.56 0.56 0.56 -0.20
105 0.09 0.51 0.09 -0.56 -0.26 -0.26 0.09 -0.26 -0.26 0.09 -0.56 -0.26 0.09 -0.26 0.09 0.09 0.09 -0.56 0.09 0.09
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 0.23 0.23 0.23 0.23 0.23 0.23 0.23
107 -2.61 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56
108 -0.17 0.79 0.79 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 0.79 -0.17 -0.17 -0.17 0.79 -0.17 0.79 0.79 -0.17 -0.17 -0.17
109 0.71 0.44 1.18 0.71 0.44 0.44 0.71 0.71 1.18 0.71 1.18 0.44 0.16 0.44 0.71 0.44 0.44 0.71 0.44 0.71
110 0.19 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 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 0.44 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
112 0.59 0.59 0.17 0.59 0.17 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.17 0.17 0.59 0.17 0.59 0.59 0.59 0.59
113 0.07 0.66 0.66 0.07 0.07 0.66 0.07 0.07 0.66 0.66 0.66 0.07 0.66 0.07 0.66 0.07 0.07 0.66 0.66 0.07
114 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 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 -0.32 -0.32 -0.32 -0.32 -0.32 0.62 0.62 -0.32 -0.32 0.62 -0.32 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 0.62
117 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 1.10 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
118 1.28 1.28 0.87 0.87 1.28 1.28 0.87 1.28 0.87 1.28 0.87 1.28 0.87 0.87 1.28 1.28 1.28 1.28 1.28 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 0.44 0.25 0.25 0.25 0.44 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.44 0.25
130 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25
131 -0.68 -1.14 -1.14 -1.14 -1.14 -1.14 -0.68 -1.14 -1.14 -1.14 -0.68 -1.14 -1.14 -1.14 -1.14 -0.68 -1.14 -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 0.343 0.375 0.367 0.386 0.324 0.370 0.363 0.356 0.345 0.397 0.368 0.310 0.338 0.384 0.357 0.372 0.360 0.320 0.374 0.311
#Overall_Average_Reported 0.356
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 1 0 1 1 1 1 0 0 0 1 0 0 0 1 0 2 0 0
5.000 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 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 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0
8.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
9.000 2 0 0 0 0 1 1 0 1 0 0 0 1 0 0 1 0 0 1 0
10.000 0 1 2 1 1 2 1 0 1 0 1 1 2 1 0 0 0 2 1 1
11.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
12.000 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
13.000 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
14.000 0 1 1 1 2 1 0 0 0 1 2 2 2 1 0 0 2 1 0 0
15.000 3 1 1 3 1 1 1 1 1 1 1 2 1 0 1 1 0 1 0 0
16.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
17.000 0 1 1 1 1 0 0 0 0 1 1 1 1 1 0 0 2 1 1 1
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 1 2 1 0 0 0 1 1 0 0 0 0 0 2 0 1 0 2 0
20.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
21.000 0 0 1 1 0 0 0 1 1 1 1 1 2 0 2 0 0 0 2 0
22.000 2 0 2 0 2 0 0 0 2 0 2 0 0 1 0 0 0 0 1 0
23.000 0 1 1 1 0 1 1 0 0 0 0 1 0 1 0 0 0 0 1 1
24.000 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 0 0 0 0 0
25.000 0 2 1 1 1 0 2 1 2 1 1 1 0 2 1 1 1 2 1 0
26.000 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
27.000 2 1 0 1 1 1 1 0 2 0 1 0 1 1 0 1 0 0 0 0
28.000 0 0 0 1 0 1 0 0 0 1 0 1 0 0 0 0 1 0 0 0
29.000 0 0 0 1 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 1 0 0
31.000 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 2 0 0
32.000 0 1 1 2 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1
33.000 1 1 1 0 2 0 1 0 0 0 1 2 0 0 0 1 2 1 0 0
34.000 1 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0
35.000 0 0 4 0 0 1 0 1 0 0 2 2 0 0 1 2 1 0 0 0
36.000 0 2 1 1 1 2 2 1 2 1 2 2 1 1 0 2 2 2 1 1
37.000 0 0 0 2 0 1 0 0 1 0 0 0 2 0 0 0 0 1 0 2
38.000 0 2 2 2 1 1 2 2 2 1 0 1 0 0 1 0 0 2 3 1
39.000 0 0 1 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 2 0
40.000 1 1 1 1 1 1 1 0 2 0 1 2 0 0 1 1 1 0 2 0
41.000 0 0 2 0 1 0 1 1 0 0 0 1 0 1 0 1 1 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 0 0 0 0 1 0 0 0 1 1 2 0 0 1 1 0
44.000 0 0 0 0 3 0 2 0 2 0 0 1 0 0 3 0 2 2 0 1
45.000 1 1 2 3 1 1 1 0 2 2 3 2 2 1 1 1 0 0 1 2
46.000 1 0 0 0 0 1 1 0 1 0 1 1 0 1 0 1 0 0 1 0
47.000 1 0 0 1 1 1 2 0 1 0 0 0 2 0 0 1 1 1 1 2
48.000 2 1 0 1 0 2 1 1 4 0 0 1 1 1 1 3 0 1 3 0
49.000 3 0 0 0 2 0 4 1 1 1 2 1 2 2 0 3 1 3 3 1
50.000 0 1 1 1 0 1 0 0 1 0 0 2 0 0 2 0 0 0 0 0
51.000 2 0 0 0 1 0 1 2 1 2 2 0 1 1 0 1 1 1 0 0
52.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0
53.000 1 1 1 0 1 1 1 1 0 1 0 1 0 0 0 1 0 1 0 0
54.000 1 0 2 0 0 1 3 0 1 1 1 0 0 1 1 1 1 1 0 1
55.000 0 0 0 1 0 0 0 0 0 0 0 0 0 1 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 1 0 0
57.000 0 0 2 0 0 0 0 0 1 2 1 1 1 2 0 1 0 2 0 1
58.000 1 0 0 2 3 1 1 2 2 1 2 1 0 0 3 0 3 1 1 2
59.000 0 0 1 0 0 1 0 0 0 0 0 0 0 1 2 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 3 1 0 0 1 1 0 3 1 3 4 3 1 4 2 1 3 2 0 1
62.000 1 0 0 0 1 0 1 1 0 1 1 0 1 0 0 1 0 1 0 0
63.000 1 0 1 2 1 2 0 1 0 1 2 0 1 2 1 2 0 0 0 1
64.000 6 3 2 3 5 3 5 5 2 4 5 6 4 3 2 5 6 5 4 3
65.000 5 3 4 6 2 5 4 4 1 0 4 2 3 6 4 4 4 6 6 8
66.000 1 1 0 0 1 1 1 0 0 0 0 1 0 0 0 1 1 2 0 1
67.000 1 1 0 0 0 0 1 1 4 0 1 1 0 1 1 2 2 0 2 1
68.000 0 0 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1
69.000 0 0 0 0 0 0 1 0 1 0 0 1 0 0 1 0 1 2 0 1
70.000 0 0 0 0 0 0 2 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 3 2 6 2 1 1 2 1 3 0 1 0 3 2 1 1 3 3 4 3
74.000 1 2 1 0 1 2 1 0 2 0 1 2 1 0 0 2 1 1 1 1
75.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
76.000 1 0 1 0 0 2 1 1 0 0 1 0 0 1 0 3 0 0 0 1
77.000 3 1 2 3 4 2 4 2 2 2 3 2 2 1 2 3 2 3 1 1
78.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0
79.000 0 0 1 0 1 1 0 1 1 1 1 1 0 1 1 1 3 1 1 1
80.000 1 0 0 1 0 2 2 0 1 1 1 0 0 0 0 1 0 0 0 0
86.000 0 0 0 1 0 1 0 0 0 1 1 0 0 0 1 0 0 1 0 1
87.000 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0
88.000 2 1 2 3 4 2 2 2 2 2 4 3 2 2 3 0 2 3 3 3
89.000 0 0 0 0 0 1 0 0 1 0 0 0 0 0 2 0 0 1 0 0
90.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
91.000 2 1 1 0 1 0 1 2 3 1 2 2 3 2 2 2 1 0 1 0
92.000 0 0 0 0 2 3 0 0 0 1 1 0 1 0 3 0 1 1 1 0
93.000 1 1 1 0 1 1 1 1 1 1 1 1 0 0 1 2 1 0 1 0
94.000 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
95.000 2 1 1 0 1 0 1 1 1 2 2 1 2 1 1 1 1 0 2 0
96.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
97.000 2 2 1 2 2 2 1 1 1 1 1 1 1 0 1 2 1 0 1 0
98.000 2 2 1 1 3 3 3 1 0 0 1 2 2 0 1 3 2 3 0 1
99.000 3 2 1 1 0 1 2 2 2 3 2 1 2 2 1 0 1 3 2 2
100.000 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1
101.000 0 0 1 0 0 1 1 0 1 1 1 0 0 0 0 1 0 1 1 1
102.000 1 1 1 2 3 1 1 0 2 1 4 1 1 1 0 1 0 1 1 1
103.000 2 1 0 1 0 0 3 1 1 1 1 0 1 1 0 0 1 1 0 1
104.000 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1
105.000 0 0 2 1 2 1 2 2 2 0 0 2 0 1 0 1 1 0 2 1
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 1 1 0 1 0 0 0 0 0 0 0 1 1 1 0 0 2 0 0
108.000 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0
109.000 1 1 1 2 0 0 1 0 1 1 4 1 1 1 1 0 0 1 1 1
110.000 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0
111.000 2 0 0 1 1 1 1 0 3 0 1 0 2 0 0 1 0 2 2 2
112.000 0 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0
113.000 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0
115.000 1 0 0 0 1 0 1 0 1 0 0 0 2 1 0 1 0 1 1 0
116.000 1 1 1 1 1 2 1 1 0 0 0 1 1 1 1 1 1 1 1 1
117.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
118.000 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 1 0 0 0
119.000 1 1 1 1 3 1 0 1 1 0 0 1 0 1 2 0 1 1 1 1
129.000 0 1 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0
130.000 0 1 0 0 0 0 0 0 0 0 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.704 0.530 0.652 0.617 0.687 0.635 0.748 0.470 0.722 0.452 0.739 0.617 0.591 0.513 0.565 0.626 0.600 0.748 0.652 0.530
#Overall_Average_Reported 0.620
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.732: 0
: 2136:A 98 LEU 2HD2 :A 77 ILE 2HG1 : -0.659: 0
: 2136:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.579: 0
: 2136:A 64 LEU HG :A 49 ALA 2HB : -0.554: 0
: 2136:A 64 LEU 1HB :A 61 LEU 1HD2 : -0.507: 0
: 2136:A 51 PHE HA :A 62 ILE 2HG1 : -0.497: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.494: 0
: 2136:A 61 LEU 2HD2 :A 91 VAL 3HG1 : -0.464: 0
: 2136:A 49 ALA 3HB :A 115 LEU 1HD2 : -0.452: 0
: 2136:A 9 ASP 2HB :A 49 ALA O : -0.447: 0
: 2136:A 9 ASP 1HB :A 7 ILE 2HG2 : -0.441: 0
: 2136:A 76 GLU 2HG :A 64 LEU O : -0.431: 0
: 2136:A 51 PHE 2HB :A 61 LEU HA : -0.430: 0
: 2136:A 95 ILE 1HG1 :A 64 LEU 1HD1 : -0.419: 0
: 2136:A 77 ILE 2HD1 :A 64 LEU 3HD1 : -0.412: 0
: 2136:A 125 GLU 1HB :A 96 GLY 2HA : -0.674: 0
: 2136:A 78 SER 2HB :A 33 CYS SG : -0.646: 0
: 2136:A 109 VAL 2HG1 :A 45 ILE HB : -0.630: 0
: 2136:A 5 ARG 2HB :A 53 VAL HB : -0.591: 0
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.587: 0
: 2136:A 74 VAL HB :A 40 ILE 2HG1 : -0.573: 0
: 2136:A 65 ARG 1HH1 :A 73 ILE 1HG2 : -0.551: 0
: 2136:A 73 ILE 3HD1 :A 65 ARG NH1 : -0.539: 0
: 2136:A 63 LEU 3HD2 :A 15 LEU HG : -0.506: 0
: 2136:A 15 LEU HA :A 65 ARG 1HH2 : -0.464: 0
: 2136:A 65 ARG 1HH1 :A 73 ILE 3HD1 : -0.450: 0
: 2136:A 65 ARG NH2 :A 15 LEU HA : -0.429: 0
: 2136:A 54 ILE 1HD1 :A 2 PRO 1HG : -0.521: 0
: 2136:A 99 ILE O :A 103 GLU 1HG : -0.519: 0
: 2136:A 103 GLU 2HB :A 128 ARG 2HB : -0.505: 0
: 2136:A 99 ILE 1HD1 :A 111 VAL 2HG2 : -0.423: 0
: 2136:A 99 ILE HA :A 102 LEU 2HD1 : -0.419: 0
: 2136:A 111 VAL HA :A 47 LEU 1HB : -0.413: 0
: 2136:A 22 LEU H :A 22 LEU 3HD2 : -0.505: 0
: 2136:A 48 LYS 2HG :A 67 PHE CE1 : -0.486: 0
: 2136:A 46 MET 2HG :A 48 LYS 1HG : -0.409: 0
: 2136:A 27 LYS 1HG :A 97 VAL 1HG1 : -0.473: 0
: 2136:A 97 VAL 3HG2 :A 93 ASN O : -0.438: 0
: 2136:A 34 ILE HB :A 27 LYS 2HB : -0.434: 0
: 2136:A 81 PRO 2HD :A 80 LEU HA : -0.469: 0
: 2136:A 104 ARG 2HG :A 100 GLY O : -0.458: 0
: 2136:A 88 ILE 1HD1 :A 119 ALA HA : -0.450: 0
: 2136:A 88 ILE HB :A 58 LEU O : -0.444: 0
#sum2 ::20.13 clashscore : 20.13 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242667 potential dots:15170.0 A^2:43 bumps:43 bumps B<40:642 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.691: 0
: 2136:A 74 VAL 1HG2 :A 45 ILE 3HD1 : -0.640: 0
: 2136:A 40 ILE 2HG1 :A 74 VAL 2HG1 : -0.452: 0
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.628: 0
: 2136:A 67 PHE 2HB :A 73 ILE HA : -0.542: 0
: 2136:A 65 ARG 2HD :A 73 ILE 3HD1 : -0.502: 0
: 2136:A 64 LEU 1HB :A 61 LEU 1HD1 : -0.460: 0
: 2136:A 64 LEU 3HD2 :A 65 ARG N : -0.441: 0
: 2136:A 65 ARG NH1 :A 19 TRP HE1 : -0.402: 0
: 2136:A 88 ILE 1HD1 :A 119 ALA HA : -0.624: 0
: 2136:A 38 GLN 1HB :A 23 MET 2HB : -0.621: 0
: 2136:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.574: 0
: 2136:A 25 LYS 2HB :A 36 ILE HB : -0.547: 0
: 2136:A 36 ILE 1HD1 :A 98 LEU HA : -0.530: 0
: 2136:A 25 LYS 1HB :A 38 GLN 2HE2 : -0.517: 0
: 2136:A 99 ILE 3HG2 :A 109 VAL 1HG2 : -0.510: 0
: 2136:A 99 ILE O :A 103 GLU 1HG : -0.505: 0
: 2136:A 14 GLU 2HG :A 10 MET 1HB : -0.506: 0
: 2136:A 94 ALA 2HB :A 32 LEU 2HD1 : -0.490: 0
: 2136:A 33 CYS SG :A 26 GLN NE2 : -0.489: 0
: 2136:A 50 ASN 2HD2 :A 8 THR HA : -0.489: 0
: 2136:A 27 LYS 1HG :A 97 VAL 1HG1 : -0.458: 0
: 2136:A 97 VAL 3HG2 :A 93 ASN O : -0.451: 0
: 2136:A 17 ARG 1HB :A 13 GLU O : -0.450: 0
: 2136:A 11 THR O :A 15 LEU 1HB : -0.442: 0
: 2136:A 107 ASN OD1 :A 102 LEU 2HB : -0.437: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.435: 0
: 2136:A 130 PRO 2HD :A 129 PRO HA : -0.427: 0
: 2136:A 5 ARG 2HB :A 53 VAL HB : -0.423: 0
: 2136:A 48 LYS HA :A 112 SER OG : -0.421: 0
: 2136:A 113 LYS O :A 117 ARG 2HG : -0.421: 0
#sum2 ::14.51 clashscore : 14.51 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242724 potential dots:15170.0 A^2:31 bumps:31 bumps B<40:692.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 99 ILE 3HG2 :A 109 VAL 1HG2 : -0.818: 0
: 2136:A 65 ARG 1HH1 :A 73 ILE 1HG2 : -0.674: 0
: 2136:A 35 ARG 2HB :A 76 GLU 2HB : -0.636: 0
: 2136:A 21 MET SD :A 35 ARG 1HD : -0.556: 0
: 2136:A 73 ILE 2HG2 :A 35 ARG 2HH2 : -0.547: 0
: 2136:A 73 ILE 2HG2 :A 35 ARG NH2 : -0.545: 0
: 2136:A 19 TRP HE1 :A 65 ARG 2HH1 : -0.526: 0
: 2136:A 65 ARG 2HD :A 73 ILE 3HD1 : -0.482: 0
: 2136:A 19 TRP HD1 :A 73 ILE 2HD1 : -0.467: 0
: 2136:A 73 ILE 1HG2 :A 65 ARG NH1 : -0.408: 0
: 2136:A 79 PRO HA :A 32 LEU HA : -0.658: 0
: 2136:A 101 GLY 2HA :A 36 ILE 3HD1 : -0.613: 0
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.599: 0
: 2136:A 15 LEU 2HD1 :A 63 LEU 3HD2 : -0.583: 0
: 2136:A 77 ILE 2HD1 :A 64 LEU 3HD1 : -0.583: 0
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.505: 0
: 2136:A 68 THR 2HG2 :A 45 ILE 1HG1 : -0.565: 0
: 2136:A 102 LEU 2HD2 :A 45 ILE CD1 : -0.475: 0
: 2136:A 54 ILE 2HG2 :A 59 GLU 1HB : -0.561: 0
: 2136:A 88 ILE 1HD1 :A 119 ALA HA : -0.481: 0
: 2136:A 54 ILE O :A 57 ARG 1HG : -0.461: 0
: 2136:A 88 ILE 2HD1 :A 57 ARG 1HB : -0.414: 0
: 2136:A 14 GLU 2HG :A 10 MET 1HB : -0.549: 0
: 2136:A 50 ASN OD1 :A 10 MET 1HG : -0.468: 0
: 2136:A 53 VAL O :A 4 SER HA : -0.531: 0
: 2136:A 40 ILE 1HG1 :A 74 VAL CG1 : -0.502: 0
: 2136:A 105 ASN ND2 :A 38 GLN HA : -0.469: 0
: 2136:A 41 MET 1HG :A 105 ASN 2HB : -0.456: 0
: 2136:A 38 GLN 2HE2 :A 25 LYS 1HD : -0.448: 0
: 2136:A 41 MET HA :A 107 ASN 1HD2 : -0.407: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.463: 0
: 2136:A 75 GLY 2HA :A 98 LEU 1HD1 : -0.456: 0
: 2136:A 22 LEU H :A 22 LEU 3HD2 : -0.446: 0
: 2136:A 97 VAL 3HG2 :A 93 ASN O : -0.436: 0
: 2136:A 34 ILE 1HD1 :A 94 ALA 1HB : -0.430: 0
: 2136:A 17 ARG 1HB :A 13 GLU O : -0.423: 0
: 2136:A 33 CYS SG :A 26 GLN NE2 : -0.413: 0
: 2136:A 23 MET 1HG :A 39 ALA 2HB : -0.403: 0
#sum2 ::17.79 clashscore : 17.79 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242654 potential dots:15170.0 A^2:38 bumps:38 bumps B<40:660 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 17 ARG 1HB :A 14 GLU HA : -0.738: 0
: 2136:A 65 ARG 2HD :A 73 ILE 3HD1 : -0.735: 0
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.683: 0
: 2136:A 15 LEU 1HD1 :A 50 ASN ND2 : -0.643: 0
: 2136:A 77 ILE 2HD1 :A 64 LEU 3HD1 : -0.636: 0
: 2136:A 15 LEU 2HD1 :A 12 ILE HA : -0.494: 0
: 2136:A 63 LEU 1HD2 :A 65 ARG NH2 : -0.448: 0
: 2136:A 64 LEU 3HD2 :A 65 ARG N : -0.434: 0
: 2136:A 10 MET SD :A 65 ARG 1HB : -0.427: 0
: 2136:A 19 TRP HE1 :A 65 ARG NH1 : -0.418: 0
: 2136:A 63 LEU 3HD2 :A 15 LEU 3HD2 : -0.418: 0
: 2136:A 77 ILE 1HG1 :A 34 ILE 2HD1 : -0.408: 0
: 2136:A 73 ILE 3HG2 :A 65 ARG 2HB : -0.400: 0
: 2136:A 28 VAL 3HG1 :A 80 LEU 1HD1 : -0.575: 0
: 2136:A 98 LEU 2HD1 :A 36 ILE 1HG1 : -0.566: 0
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.565: 0
: 2136:A 109 VAL 2HG1 :A 45 ILE HB : -0.565: 0
: 2136:A 102 LEU 3HD1 :A 109 VAL 1HG1 : -0.505: 0
: 2136:A 102 LEU 2HD2 :A 45 ILE 2HD1 : -0.414: 0
: 2136:A 68 THR 2HG2 :A 45 ILE 1HG1 : -0.412: 0
: 2136:A 97 VAL 1HG2 :A 29 GLU 1HG : -0.490: 0
: 2136:A 27 LYS 1HG :A 97 VAL 1HG1 : -0.437: 0
: 2136:A 58 LEU 2HD2 :A 88 ILE HA : -0.484: 0
: 2136:A 88 ILE HB :A 58 LEU O : -0.475: 0
: 2136:A 88 ILE 1HD1 :A 119 ALA HA : -0.434: 0
: 2136:A 99 ILE O :A 103 GLU 1HG : -0.472: 0
: 2136:A 105 ASN ND2 :A 38 GLN HA : -0.465: 0
: 2136:A 38 GLN 2HE2 :A 25 LYS 1HD : -0.424: 0
: 2136:A 47 LEU 2HD1 :A 111 VAL 2HG2 : -0.455: 0
: 2136:A 2 PRO 2HB :A 55 PHE HA : -0.445: 0
: 2136:A 23 MET 1HG :A 39 ALA 2HB : -0.439: 0
: 2136:A 40 ILE 1HG1 :A 37 ASP OD2 : -0.435: 0
: 2136:A 21 MET 1HG :A 37 ASP 1HB : -0.431: 0
: 2136:A 112 SER 2HB :A 48 LYS HA : -0.424: 0
: 2136:A 94 ALA 2HB :A 32 LEU 2HD1 : -0.421: 0
: 2136:A 86 HIS CE1 :A 32 LEU 1HD2 : -0.410: 0
: 2136:A 129 PRO 1HD :A 128 ARG HA : -0.408: 0
#sum2 ::17.32 clashscore : 17.32 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242395 potential dots:15150.0 A^2:37 bumps:37 bumps B<40:760 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.675: 0
: 2136:A 77 ILE 2HD1 :A 64 LEU 3HD1 : -0.558: 0
: 2136:A 102 LEU 2HD2 :A 45 ILE 2HD1 : -0.510: 0
: 2136:A 65 ARG 1HH1 :A 73 ILE 1HG2 : -0.505: 0
: 2136:A 64 LEU 1HB :A 61 LEU 1HD2 : -0.504: 0
: 2136:A 33 CYS SG :A 26 GLN NE2 : -0.499: 0
: 2136:A 98 LEU 2HD2 :A 77 ILE 2HG1 : -0.490: 0
: 2136:A 64 LEU HG :A 49 ALA 2HB : -0.479: 0
: 2136:A 64 LEU 3HD2 :A 65 ARG N : -0.460: 0
: 2136:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.449: 0
: 2136:A 49 ALA 3HB :A 115 LEU 1HD2 : -0.433: 0
: 2136:A 102 LEU HG :A 98 LEU O : -0.420: 0
: 2136:A 33 CYS O :A 77 ILE HA : -0.409: 0
: 2136:A 102 LEU 2HB :A 107 ASN 1HB : -0.405: 0
: 2136:A 108 THR HB :A 44 ASN HA : -0.573: 0
: 2136:A 44 ASN N :A 44 ASN 2HD2 : -0.403: 0
: 2136:A 27 LYS 1HG :A 97 VAL 1HG1 : -0.559: 0
: 2136:A 97 VAL 3HG2 :A 93 ASN O : -0.497: 0
: 2136:A 111 VAL HA :A 47 LEU 1HB : -0.535: 0
: 2136:A 88 ILE 2HG1 :A 58 LEU 2HB : -0.533: 0
: 2136:A 58 LEU 3HD1 :A 119 ALA 2HB : -0.472: 0
: 2136:A 119 ALA O :A 92 LYS 1HE : -0.448: 0
: 2136:A 88 ILE 1HD1 :A 119 ALA HA : -0.447: 0
: 2136:A 92 LYS 2HG :A 88 ILE O : -0.441: 0
: 2136:A 88 ILE HB :A 58 LEU O : -0.412: 0
: 2136:A 10 MET 2HB :A 14 GLU 2HG : -0.530: 0
: 2136:A 17 ARG 1HB :A 14 GLU HA : -0.462: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.518: 0
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.518: 0
: 2136:A 22 LEU H :A 22 LEU 3HD2 : -0.516: 0
: 2136:A 51 PHE HA :A 62 ILE 2HG1 : -0.485: 0
: 2136:A 53 VAL O :A 4 SER HA : -0.479: 0
: 2136:A 41 MET 1HG :A 105 ASN 2HB : -0.467: 0
: 2136:A 38 GLN HA :A 105 ASN 1HD2 : -0.437: 0
: 2136:A 100 GLY O :A 104 ARG 1HG : -0.458: 0
: 2136:A 79 PRO HA :A 32 LEU HA : -0.456: 0
: 2136:A 63 LEU 3HD2 :A 15 LEU HG : -0.424: 0
: 2136:A 25 LYS 2HB :A 36 ILE HB : -0.411: 0
: 2136:A 12 ILE H :A 12 ILE 2HD1 : -0.408: 0
: 2136:A 40 ILE 1HG1 :A 74 VAL 1HG1 : -0.403: 0
#sum2 ::18.73 clashscore : 18.73 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242632 potential dots:15160.0 A^2:40 bumps:40 bumps B<40:687.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 65 ARG 1HH1 :A 73 ILE 1HG2 : -0.732: 0
: 2136:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.702: 0
: 2136:A 64 LEU 1HB :A 61 LEU 1HD1 : -0.664: 0
: 2136:A 76 GLU 2HB :A 35 ARG 1HD : -0.636: 0
: 2136:A 14 GLU 2HG :A 10 MET 2HG : -0.625: 0
: 2136:A 65 ARG HA :A 76 GLU HA : -0.612: 0
: 2136:A 63 LEU 3HD2 :A 15 LEU HG : -0.553: 0
: 2136:A 101 GLY 2HA :A 36 ILE 3HD1 : -0.536: 0
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.516: 0
: 2136:A 98 LEU 2HD1 :A 36 ILE 1HG1 : -0.473: 0
: 2136:A 64 LEU 3HD2 :A 65 ARG N : -0.460: 0
: 2136:A 10 MET SD :A 65 ARG NE : -0.453: 0
: 2136:A 63 LEU 1HD2 :A 65 ARG NH2 : -0.439: 0
: 2136:A 98 LEU 1HB :A 77 ILE 1HD1 : -0.405: 0
: 2136:A 86 HIS 2HB :A 31 PRO 1HG : -0.637: 0
: 2136:A 80 LEU 1HB :A 83 PHE 1HB : -0.604: 0
: 2136:A 28 VAL 1HG1 :A 80 LEU 1HD1 : -0.464: 0
: 2136:A 89 GLU HA :A 92 LYS 2HD : -0.562: 0
: 2136:A 88 ILE HB :A 58 LEU O : -0.482: 0
: 2136:A 92 LYS 1HG :A 119 ALA O : -0.444: 0
: 2136:A 92 LYS 2HG :A 88 ILE O : -0.421: 0
: 2136:A 40 ILE 1HG1 :A 74 VAL 1HG1 : -0.559: 0
: 2136:A 37 ASP CB :A 74 VAL HB : -0.414: 0
: 2136:A 123 SER 1HB :A 116 GLN 2HB : -0.557: 0
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.514: 0
: 2136:A 120 TRP CH2 :A 99 ILE 2HD1 : -0.478: 0
: 2136:A 48 LYS 2HG :A 46 MET 2HG : -0.546: 0
: 2136:A 9 ASP 1HB :A 48 LYS 2HB : -0.472: 0
: 2136:A 50 ASN HA :A 7 ILE O : -0.530: 0
: 2136:A 102 LEU 2HD2 :A 45 ILE 2HD1 : -0.524: 0
: 2136:A 23 MET 1HG :A 39 ALA 2HB : -0.516: 0
: 2136:A 97 VAL 3HG2 :A 93 ASN O : -0.506: 0
: 2136:A 27 LYS 1HG :A 97 VAL 1HG1 : -0.485: 0
: 2136:A 105 ASN ND2 :A 38 GLN HA : -0.492: 0
: 2136:A 47 LEU 2HD1 :A 111 VAL 2HG2 : -0.473: 0
: 2136:A 133 LEU HG :A 132 THR 2HG2 : -0.468: 0
: 2136:A 53 VAL O :A 4 SER HA : -0.455: 0
: 2136:A 79 PRO HA :A 32 LEU 3HD2 : -0.420: 0
: 2136:A 54 ILE 2HG2 :A 59 GLU 1HB : -0.411: 0
#sum2 ::18.26 clashscore : 18.26 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242808 potential dots:15180.0 A^2:39 bumps:39 bumps B<40:618.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.794: 0
: 2136:A 49 ALA 3HB :A 115 LEU 1HD2 : -0.715: 0
: 2136:A 64 LEU HG :A 49 ALA 2HB : -0.654: 0
: 2136:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.612: 0
: 2136:A 9 ASP 2HB :A 49 ALA O : -0.551: 0
: 2136:A 98 LEU 2HD2 :A 77 ILE 2HG1 : -0.509: 0
: 2136:A 64 LEU 3HD2 :A 65 ARG N : -0.503: 0
: 2136:A 15 LEU HA :A 65 ARG 1HH2 : -0.474: 0
: 2136:A 65 ARG 2HD :A 73 ILE 3HD1 : -0.449: 0
: 2136:A 111 VAL HA :A 47 LEU 1HB : -0.445: 0
: 2136:A 77 ILE 2HD1 :A 64 LEU 2HD2 : -0.444: 0
: 2136:A 67 PHE HA :A 73 ILE HA : -0.437: 0
: 2136:A 32 LEU 2HB :A 77 ILE CG2 : -0.418: 0
: 2136:A 49 ALA 2HB :A 64 LEU CG : -0.417: 0
: 2136:A 65 ARG HA :A 76 GLU HA : -0.410: 0
: 2136:A 98 LEU 3HD2 :A 47 LEU 2HD1 : -0.403: 0
: 2136:A 99 ILE 3HG2 :A 109 VAL 1HG2 : -0.632: 0
: 2136:A 129 PRO 2HD :A 103 GLU O : -0.527: 0
: 2136:A 125 GLU 2HG :A 103 GLU 1HG : -0.455: 0
: 2136:A 99 ILE O :A 103 GLU 2HG : -0.432: 0
: 2136:A 41 MET 1HG :A 105 ASN 2HB : -0.602: 0
: 2136:A 38 GLN HA :A 105 ASN 1HD2 : -0.471: 0
: 2136:A 36 ILE 2HD1 :A 101 GLY 2HA : -0.451: 0
: 2136:A 38 GLN NE2 :A 25 LYS 1HB : -0.450: 0
: 2136:A 25 LYS 2HB :A 36 ILE O : -0.418: 0
: 2136:A 48 LYS 2HB :A 10 MET 2HB : -0.599: 0
: 2136:A 44 ASN 1HB :A 69 GLU 2HB : -0.582: 0
: 2136:A 108 THR HB :A 44 ASN HA : -0.401: 0
: 2136:A 33 CYS SG :A 80 LEU 1HD2 : -0.580: 0
: 2136:A 81 PRO 2HD :A 80 LEU HA : -0.427: 0
: 2136:A 2 PRO 1HB :A 54 ILE 1HD1 : -0.574: 0
: 2136:A 54 ILE 2HD1 :A 54 ILE HA : -0.428: 0
: 2136:A 23 MET 1HG :A 39 ALA 2HB : -0.536: 0
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.512: 0
: 2136:A 51 PHE HA :A 62 ILE 2HG1 : -0.488: 0
: 2136:A 40 ILE 1HG1 :A 74 VAL 1HG1 : -0.479: 0
: 2136:A 34 ILE HB :A 27 LYS 2HB : -0.475: 0
: 2136:A 97 VAL 3HG2 :A 93 ASN O : -0.475: 0
: 2136:A 102 LEU 2HD2 :A 45 ILE 2HD1 : -0.458: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.446: 0
: 2136:A 53 VAL O :A 4 SER HA : -0.437: 0
: 2136:A 118 PHE O :A 88 ILE 1HD1 : -0.436: 0
: 2136:A 88 ILE 2HG1 :A 58 LEU 2HB : -0.418: 0
: 2136:A 110 ARG 2HB :A 46 MET SD : -0.403: 0
: 2136:A 70 GLU 1HG :A 70 GLU H : -0.402: 0
#sum2 ::21.07 clashscore : 21.07 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242752 potential dots:15170.0 A^2:45 bumps:45 bumps B<40:714.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 79 PRO HA :A 32 LEU HA : -0.686: 0
: 2136:A 77 ILE 2HD1 :A 64 LEU 3HD1 : -0.650: 0
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.647: 0
: 2136:A 61 LEU 2HD2 :A 91 VAL 3HG1 : -0.585: 0
: 2136:A 51 PHE HA :A 62 ILE 2HG1 : -0.525: 0
: 2136:A 51 PHE 2HB :A 61 LEU HA : -0.516: 0
: 2136:A 64 LEU HG :A 49 ALA 2HB : -0.507: 0
: 2136:A 64 LEU 1HB :A 61 LEU 1HD2 : -0.492: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.474: 0
: 2136:A 64 LEU 3HD2 :A 65 ARG N : -0.469: 0
: 2136:A 19 TRP HE1 :A 65 ARG NH1 : -0.450: 0
: 2136:A 65 ARG 2HD :A 73 ILE 3HD1 : -0.432: 0
: 2136:A 65 ARG HA :A 76 GLU HA : -0.413: 0
: 2136:A 58 LEU 3HD1 :A 119 ALA 2HB : -0.532: 0
: 2136:A 118 PHE O :A 88 ILE 1HD1 : -0.488: 0
: 2136:A 88 ILE 2HG1 :A 58 LEU 2HB : -0.479: 0
: 2136:A 41 MET 1HG :A 105 ASN 2HB : -0.503: 0
: 2136:A 25 LYS 2HD :A 38 GLN NE2 : -0.496: 0
: 2136:A 38 GLN HA :A 105 ASN 1HD2 : -0.407: 0
: 2136:A 48 LYS 2HD :A 67 PHE CD1 : -0.491: 0
: 2136:A 21 MET SD :A 35 ARG 1HD : -0.491: 0
: 2136:A 36 ILE 1HD1 :A 98 LEU HA : -0.479: 0
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.467: 0
: 2136:A 99 ILE O :A 103 GLU 1HG : -0.422: 0
: 2136:A 120 TRP CH2 :A 99 ILE 2HD1 : -0.421: 0
: 2136:A 63 LEU 3HD2 :A 15 LEU HG : -0.419: 0
: 2136:A 97 VAL 3HG2 :A 93 ASN O : -0.410: 0
: 2136:A 53 VAL O :A 4 SER HA : -0.401: 0
#sum2 ::13.11 clashscore : 13.11 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242398 potential dots:15150.0 A^2:28 bumps:28 bumps B<40:749.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 101 GLY 2HA :A 36 ILE 3HD1 : -0.634: 0
: 2136:A 109 VAL 2HG1 :A 45 ILE HB : -0.580: 0
: 2136:A 25 LYS 2HB :A 36 ILE HB : -0.507: 0
: 2136:A 105 ASN ND2 :A 38 GLN HA : -0.463: 0
: 2136:A 102 LEU 2HD2 :A 45 ILE 2HD1 : -0.453: 0
: 2136:A 25 LYS 2HD :A 38 GLN NE2 : -0.440: 0
: 2136:A 105 ASN 1HB :A 102 LEU HA : -0.400: 0
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.608: 0
: 2136:A 77 ILE 2HD1 :A 64 LEU 3HD1 : -0.545: 0
: 2136:A 88 ILE HB :A 58 LEU O : -0.600: 0
: 2136:A 88 ILE 2HD1 :A 57 ARG 1HB : -0.498: 0
: 2136:A 58 LEU 3HD1 :A 119 ALA 2HB : -0.443: 0
: 2136:A 67 PHE CZ :A 48 LYS 2HG : -0.592: 0
: 2136:A 112 SER 1HB :A 48 LYS 1HE : -0.559: 0
: 2136:A 73 ILE 1HG1 :A 67 PHE 2HB : -0.557: 0
: 2136:A 48 LYS 2HG :A 67 PHE HZ : -0.542: 0
: 2136:A 46 MET 2HG :A 48 LYS 1HG : -0.526: 0
: 2136:A 67 PHE 2HB :A 73 ILE HA : -0.519: 0
: 2136:A 73 ILE HB :A 19 TRP CG : -0.443: 0
: 2136:A 9 ASP 2HB :A 49 ALA O : -0.546: 0
: 2136:A 111 VAL HA :A 47 LEU 1HB : -0.543: 0
: 2136:A 99 ILE O :A 103 GLU 1HG : -0.466: 0
: 2136:A 99 ILE 1HD1 :A 111 VAL 2HG2 : -0.465: 0
: 2136:A 111 VAL 2HG1 :A 115 LEU 1HB : -0.450: 0
: 2136:A 22 LEU H :A 22 LEU 3HD2 : -0.538: 0
: 2136:A 40 ILE 3HG2 :A 43 LYS 2HG : -0.536: 0
: 2136:A 74 VAL HB :A 37 ASP 2HB : -0.530: 0
: 2136:A 40 ILE 1HG1 :A 74 VAL 1HG1 : -0.452: 0
: 2136:A 79 PRO HA :A 32 LEU 3HD2 : -0.508: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.489: 0
: 2136:A 91 VAL HA :A 32 LEU CD1 : -0.423: 0
: 2136:A 61 LEU 2HD2 :A 91 VAL 3HG1 : -0.417: 0
: 2136:A 27 LYS HA :A 27 LYS 2HE : -0.501: 0
: 2136:A 133 LEU H :A 133 LEU 3HD2 : -0.476: 0
: 2136:A 97 VAL 3HG2 :A 93 ASN O : -0.449: 0
: 2136:A 69 GLU 1HG :A 44 ASN 1HB : -0.449: 0
: 2136:A 108 THR O :A 44 ASN HA : -0.408: 0
: 2136:A 21 MET 2HG :A 24 PRO 2HG : -0.448: 0
: 2136:A 80 LEU 1HB :A 83 PHE 1HB : -0.440: 0
: 2136:A 15 LEU 2HD1 :A 50 ASN ND2 : -0.438: 0
: 2136:A 125 GLU 2HB :A 89 GLU 2HG : -0.436: 0
: 2136:A 2 PRO 1HB :A 54 ILE 1HD1 : -0.416: 0
: 2136:A 51 PHE HZ :A 114 THR HB : -0.412: 0
: 2136:A 65 ARG 2HD :A 10 MET SD : -0.402: 0
#sum2 ::20.60 clashscore : 20.60 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242765 potential dots:15170.0 A^2:44 bumps:44 bumps B<40:723.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.670: 0
: 2136:A 64 LEU HG :A 49 ALA 2HB : -0.582: 0
: 2136:A 77 ILE 2HD1 :A 64 LEU 3HD1 : -0.517: 0
: 2136:A 62 ILE 3HD1 :A 51 PHE HA : -0.469: 0
: 2136:A 64 LEU 1HB :A 61 LEU 1HD2 : -0.447: 0
: 2136:A 61 LEU 2HD1 :A 51 PHE 2HB : -0.437: 0
: 2136:A 61 LEU 2HB :A 86 HIS NE2 : -0.406: 0
: 2136:A 68 THR 2HG2 :A 45 ILE 1HG1 : -0.632: 0
: 2136:A 102 LEU 2HD2 :A 45 ILE 2HD1 : -0.459: 0
: 2136:A 101 GLY 2HA :A 36 ILE 3HD1 : -0.624: 0
: 2136:A 99 ILE 3HG2 :A 109 VAL 1HG2 : -0.553: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.458: 0
: 2136:A 99 ILE O :A 103 GLU 2HG : -0.431: 0
: 2136:A 95 ILE O :A 99 ILE 2HG1 : -0.417: 0
: 2136:A 24 PRO 2HB :A 21 MET SD : -0.547: 0
: 2136:A 17 ARG 1HB :A 14 GLU HA : -0.536: 0
: 2136:A 5 ARG 2HB :A 53 VAL HB : -0.536: 0
: 2136:A 63 LEU 3HD2 :A 15 LEU HG : -0.514: 0
: 2136:A 88 ILE HB :A 58 LEU O : -0.487: 0
: 2136:A 92 LYS 2HG :A 88 ILE O : -0.401: 0
: 2136:A 38 GLN 2HE2 :A 25 LYS 1HD : -0.480: 0
: 2136:A 28 VAL 3HG1 :A 80 LEU 1HD1 : -0.457: 0
: 2136:A 54 ILE O :A 57 ARG 1HG : -0.438: 0
: 2136:A 57 ARG HA :A 118 PHE HA : -0.411: 0
: 2136:A 97 VAL 3HG2 :A 93 ASN O : -0.434: 0
: 2136:A 79 PRO HA :A 32 LEU 3HD2 : -0.412: 0
#sum2 ::12.17 clashscore : 12.17 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242783 potential dots:15170.0 A^2:26 bumps:26 bumps B<40:781 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 77 ILE 2HD1 :A 64 LEU 3HD1 : -0.697: 0
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.627: 0
: 2136:A 63 LEU 3HD2 :A 15 LEU HG : -0.604: 0
: 2136:A 64 LEU HG :A 49 ALA 2HB : -0.568: 0
: 2136:A 62 ILE 3HD1 :A 51 PHE HA : -0.532: 0
: 2136:A 64 LEU 1HB :A 61 LEU 1HD2 : -0.529: 0
: 2136:A 61 LEU 2HD2 :A 91 VAL 3HG1 : -0.516: 0
: 2136:A 65 ARG 2HD :A 73 ILE 3HD1 : -0.495: 0
: 2136:A 63 LEU 1HD2 :A 65 ARG NH2 : -0.469: 0
: 2136:A 64 LEU 3HD2 :A 65 ARG N : -0.462: 0
: 2136:A 61 LEU 2HD1 :A 51 PHE 2HB : -0.460: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.455: 0
: 2136:A 61 LEU 1HD1 :A 49 ALA 1HB : -0.429: 0
: 2136:A 98 LEU 1HB :A 77 ILE 1HD1 : -0.421: 0
: 2136:A 95 ILE 2HD1 :A 92 LYS HA : -0.408: 0
: 2136:A 67 PHE CE1 :A 65 ARG 1HB : -0.402: 0
: 2136:A 109 VAL 2HG1 :A 45 ILE HB : -0.686: 0
: 2136:A 102 LEU 2HB :A 109 VAL 1HG1 : -0.571: 0
: 2136:A 68 THR 2HG2 :A 45 ILE 1HG1 : -0.478: 0
: 2136:A 102 LEU 2HD2 :A 45 ILE 2HD1 : -0.472: 0
: 2136:A 109 VAL 1HG1 :A 102 LEU CB : -0.413: 0
: 2136:A 102 LEU 3HD1 :A 109 VAL 1HG1 : -0.402: 0
: 2136:A 87 THR 2HG2 :A 88 ILE 2HG2 : -0.640: 0
: 2136:A 88 ILE 2HD1 :A 57 ARG 1HB : -0.524: 0
: 2136:A 58 LEU 2HD2 :A 88 ILE HA : -0.491: 0
: 2136:A 88 ILE HB :A 58 LEU O : -0.439: 0
: 2136:A 34 ILE HB :A 27 LYS 2HB : -0.571: 0
: 2136:A 36 ILE 2HD1 :A 101 GLY 2HA : -0.567: 0
: 2136:A 25 LYS 2HB :A 36 ILE HB : -0.468: 0
: 2136:A 76 GLU 2HB :A 35 ARG 2HG : -0.556: 0
: 2136:A 21 MET SD :A 35 ARG 1HD : -0.418: 0
: 2136:A 10 MET 2HB :A 14 GLU 2HG : -0.550: 0
: 2136:A 17 ARG 1HB :A 14 GLU HA : -0.459: 0
: 2136:A 22 LEU H :A 22 LEU 3HD2 : -0.510: 0
: 2136:A 99 ILE 1HD1 :A 111 VAL 2HG2 : -0.489: 0
: 2136:A 2 PRO 1HB :A 54 ILE 1HD1 : -0.489: 0
: 2136:A 99 ILE O :A 103 GLU 2HG : -0.463: 0
: 2136:A 110 ARG 2HB :A 46 MET SD : -0.457: 0
: 2136:A 80 LEU 1HD2 :A 33 CYS 2HB : -0.426: 0
: 2136:A 97 VAL 3HG2 :A 93 ASN O : -0.420: 0
: 2136:A 40 ILE 1HG1 :A 74 VAL CG1 : -0.417: 0
: 2136:A 31 PRO 1HB :A 86 HIS 2HB : -0.415: 0
: 2136:A 79 PRO HA :A 32 LEU HA : -0.404: 0
#sum2 ::20.13 clashscore : 20.13 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242737 potential dots:15170.0 A^2:43 bumps:43 bumps B<40:694.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 17 ARG 1HB :A 14 GLU HA : -0.686: 0
: 2136:A 14 GLU 2HG :A 10 MET 1HB : -0.473: 0
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.628: 0
: 2136:A 77 ILE 2HD1 :A 64 LEU 3HD1 : -0.519: 0
: 2136:A 61 LEU 2HD2 :A 91 VAL 3HG1 : -0.477: 0
: 2136:A 64 LEU 1HB :A 61 LEU 1HD2 : -0.443: 0
: 2136:A 65 ARG 1HB :A 67 PHE CE1 : -0.438: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.432: 0
: 2136:A 64 LEU 1HB :A 61 LEU 1HD1 : -0.428: 0
: 2136:A 64 LEU HG :A 49 ALA 2HB : -0.409: 0
: 2136:A 64 LEU 3HD2 :A 65 ARG N : -0.409: 0
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.564: 0
: 2136:A 102 LEU 2HD2 :A 45 ILE 2HD1 : -0.557: 0
: 2136:A 68 THR 2HG2 :A 45 ILE 1HG1 : -0.502: 0
: 2136:A 21 MET SD :A 35 ARG 1HD : -0.543: 0
: 2136:A 33 CYS SG :A 35 ARG NH1 : -0.487: 0
: 2136:A 33 CYS HA :A 28 VAL HA : -0.440: 0
: 2136:A 15 LEU 2HD1 :A 50 ASN ND2 : -0.523: 0
: 2136:A 50 ASN 2HD2 :A 15 LEU 2HD1 : -0.520: 0
: 2136:A 44 ASN 1HB :A 69 GLU 2HB : -0.497: 0
: 2136:A 23 MET 1HG :A 39 ALA 2HB : -0.493: 0
: 2136:A 88 ILE 1HD1 :A 119 ALA HA : -0.493: 0
: 2136:A 88 ILE HB :A 58 LEU O : -0.491: 0
: 2136:A 57 ARG 1HH2 :A 88 ILE 3HD1 : -0.419: 0
: 2136:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.492: 0
: 2136:A 36 ILE 1HD1 :A 98 LEU HA : -0.486: 0
: 2136:A 25 LYS 2HB :A 36 ILE O : -0.413: 0
: 2136:A 79 PRO HA :A 32 LEU HA : -0.486: 0
: 2136:A 97 VAL 3HG2 :A 93 ASN O : -0.478: 0
: 2136:A 41 MET 1HG :A 105 ASN 2HB : -0.451: 0
: 2136:A 38 GLN HA :A 105 ASN 1HD2 : -0.414: 0
: 2136:A 40 ILE 1HG1 :A 74 VAL 1HG1 : -0.434: 0
: 2136:A 40 ILE 1HG2 :A 74 VAL 1HG1 : -0.403: 0
: 2136:A 99 ILE 3HG2 :A 109 VAL 1HG2 : -0.424: 0
: 2136:A 53 VAL O :A 4 SER HA : -0.404: 0
: 2136:A 48 LYS 2HG :A 46 MET 2HG : -0.401: 0
#sum2 ::16.85 clashscore : 16.85 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242658 potential dots:15170.0 A^2:36 bumps:36 bumps B<40:709.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 14 GLU 2HG :A 10 MET 2HG : -0.761: 0
: 2136:A 17 ARG 1HB :A 14 GLU HA : -0.562: 0
: 2136:A 10 MET 1HB :A 48 LYS 2HB : -0.483: 0
: 2136:A 65 ARG 1HH1 :A 73 ILE 1HG2 : -0.739: 0
: 2136:A 73 ILE 1HG2 :A 65 ARG NH1 : -0.481: 0
: 2136:A 65 ARG 2HD :A 73 ILE 3HD1 : -0.434: 0
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.728: 0
: 2136:A 111 VAL HA :A 47 LEU 1HB : -0.573: 0
: 2136:A 64 LEU HG :A 49 ALA 2HB : -0.563: 0
: 2136:A 111 VAL 2HG1 :A 115 LEU 1HB : -0.526: 0
: 2136:A 47 LEU 2HD1 :A 64 LEU 1HD2 : -0.511: 0
: 2136:A 98 LEU 2HD2 :A 77 ILE 2HG1 : -0.500: 0
: 2136:A 64 LEU 1HB :A 61 LEU 1HD2 : -0.445: 0
: 2136:A 112 SER 2HB :A 115 LEU HG : -0.430: 0
: 2136:A 9 ASP 2HB :A 49 ALA O : -0.426: 0
: 2136:A 98 LEU 2HD1 :A 36 ILE 3HD1 : -0.406: 0
: 2136:A 99 ILE 3HG2 :A 109 VAL 1HG2 : -0.652: 0
: 2136:A 99 ILE O :A 103 GLU 1HG : -0.464: 0
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.610: 0
: 2136:A 95 ILE HB :A 120 TRP HZ3 : -0.526: 0
: 2136:A 32 LEU 1HD1 :A 91 VAL 2HG2 : -0.513: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.494: 0
: 2136:A 87 THR O :A 91 VAL 3HG2 : -0.423: 0
: 2136:A 63 LEU 3HD2 :A 15 LEU HG : -0.585: 0
: 2136:A 21 MET 2HG :A 37 ASP 1HB : -0.524: 0
: 2136:A 24 PRO HA :A 21 MET 1HG : -0.516: 0
: 2136:A 74 VAL HB :A 37 ASP 2HB : -0.467: 0
: 2136:A 68 THR 2HG2 :A 45 ILE 1HG1 : -0.508: 0
: 2136:A 102 LEU 2HD2 :A 45 ILE 2HD1 : -0.427: 0
: 2136:A 97 VAL 1HG1 :A 27 LYS 1HE : -0.488: 0
: 2136:A 43 LYS O :A 107 ASN 1HB : -0.463: 0
: 2136:A 92 LYS 2HG :A 88 ILE O : -0.451: 0
: 2136:A 88 ILE 2HD1 :A 57 ARG 1HB : -0.434: 0
: 2136:A 62 ILE 3HD1 :A 51 PHE HA : -0.441: 0
: 2136:A 130 PRO 2HD :A 129 PRO HA : -0.420: 0
#sum2 ::16.39 clashscore : 16.39 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242757 potential dots:15170.0 A^2:35 bumps:35 bumps B<40:669.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 65 ARG 2HD :A 73 ILE 3HD1 : -0.812: 0
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.653: 0
: 2136:A 63 LEU 1HD2 :A 65 ARG NH2 : -0.558: 0
: 2136:A 65 ARG 2HB :A 10 MET SD : -0.514: 0
: 2136:A 49 ALA 3HB :A 115 LEU 1HD2 : -0.500: 0
: 2136:A 65 ARG HA :A 76 GLU HA : -0.489: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.487: 0
: 2136:A 64 LEU 3HD2 :A 65 ARG N : -0.477: 0
: 2136:A 63 LEU 1HD2 :A 65 ARG 1HH2 : -0.470: 0
: 2136:A 61 LEU 1HD1 :A 49 ALA 1HB : -0.466: 0
: 2136:A 64 LEU 1HB :A 61 LEU 1HD2 : -0.426: 0
: 2136:A 61 LEU 2HD2 :A 91 VAL 3HG1 : -0.406: 0
: 2136:A 61 LEU 2HD1 :A 51 PHE 2HB : -0.405: 0
: 2136:A 17 ARG 2HD :A 73 ILE 1HD1 : -0.403: 0
: 2136:A 88 ILE 1HD1 :A 119 ALA HA : -0.644: 0
: 2136:A 88 ILE 2HD1 :A 57 ARG 1HB : -0.591: 0
: 2136:A 57 ARG NH2 :A 125 GLU 2HB : -0.445: 0
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.611: 0
: 2136:A 48 LYS 2HG :A 46 MET 2HG : -0.576: 0
: 2136:A 27 LYS 1HB :A 25 LYS 2HE : -0.569: 0
: 2136:A 25 LYS 2HB :A 36 ILE HB : -0.511: 0
: 2136:A 102 LEU 2HD2 :A 45 ILE 2HD1 : -0.549: 0
: 2136:A 41 MET 1HG :A 105 ASN 2HB : -0.546: 0
: 2136:A 54 ILE 2HG2 :A 59 GLU 1HB : -0.480: 0
: 2136:A 79 PRO HA :A 32 LEU HA : -0.472: 0
: 2136:A 43 LYS O :A 107 ASN 1HB : -0.469: 0
: 2136:A 109 VAL 1HG1 :A 99 ILE 3HG2 : -0.446: 0
: 2136:A 99 ILE O :A 103 GLU 1HG : -0.402: 0
: 2136:A 2 PRO 2HB :A 55 PHE H : -0.410: 0
: 2136:A 22 LEU 2HD2 :A 23 MET 1HG : -0.408: 0
: 2136:A 67 PHE HE1 :A 14 GLU 1HB : -0.404: 0
#sum2 ::14.51 clashscore : 14.51 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242787 potential dots:15170.0 A^2:31 bumps:31 bumps B<40:660.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.671: 0
: 2136:A 120 TRP CH2 :A 99 ILE 2HD1 : -0.431: 0
: 2136:A 59 GLU 1HG :A 54 ILE 2HG2 : -0.635: 0
: 2136:A 52 SER 2HB :A 59 GLU 1HB : -0.525: 0
: 2136:A 98 LEU 1HB :A 77 ILE 1HD1 : -0.603: 0
: 2136:A 92 LYS NZ :A 89 GLU HA : -0.603: 0
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.551: 0
: 2136:A 92 LYS 2HB :A 123 SER HA : -0.551: 0
: 2136:A 61 LEU 2HD2 :A 91 VAL 3HG1 : -0.468: 0
: 2136:A 89 GLU HA :A 92 LYS 2HZ : -0.440: 0
: 2136:A 64 LEU 1HB :A 61 LEU 1HD2 : -0.425: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.406: 0
: 2136:A 19 TRP HH2 :A 35 ARG 1HG : -0.581: 0
: 2136:A 24 PRO HA :A 21 MET 3HE : -0.533: 0
: 2136:A 19 TRP HZ3 :A 21 MET 2HG : -0.468: 0
: 2136:A 38 GLN 2HE2 :A 25 LYS 1HD : -0.536: 0
: 2136:A 109 VAL 2HG1 :A 45 ILE HB : -0.527: 0
: 2136:A 79 PRO HA :A 32 LEU 3HD2 : -0.511: 0
: 2136:A 86 HIS CE1 :A 32 LEU 1HD2 : -0.454: 0
: 2136:A 97 VAL 3HG2 :A 93 ASN O : -0.508: 0
: 2136:A 65 ARG 2HD :A 73 ILE 3HD1 : -0.504: 0
: 2136:A 65 ARG 2HG :A 65 ARG 1HH1 : -0.468: 0
: 2136:A 63 LEU 1HD2 :A 65 ARG NH2 : -0.414: 0
: 2136:A 58 LEU 3HD1 :A 119 ALA 2HB : -0.493: 0
: 2136:A 88 ILE HB :A 58 LEU O : -0.484: 0
: 2136:A 58 LEU 2HD2 :A 88 ILE HA : -0.426: 0
: 2136:A 88 ILE 1HD1 :A 119 ALA HA : -0.414: 0
: 2136:A 40 ILE 3HG2 :A 43 LYS 2HG : -0.486: 0
: 2136:A 43 LYS H :A 107 ASN 1HB : -0.406: 0
: 2136:A 44 ASN 1HB :A 69 GLU 2HB : -0.473: 0
: 2136:A 44 ASN N :A 44 ASN 2HD2 : -0.430: 0
: 2136:A 15 LEU 2HD1 :A 50 ASN ND2 : -0.449: 0
: 2136:A 50 ASN HA :A 7 ILE O : -0.414: 0
: 2136:A 48 LYS 1HB :A 67 PHE HE1 : -0.446: 0
#sum2 ::15.92 clashscore : 15.92 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242395 potential dots:15150.0 A^2:34 bumps:34 bumps B<40:667.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.756: 0
: 2136:A 98 LEU 2HD2 :A 77 ILE 2HG1 : -0.604: 0
: 2136:A 63 LEU 3HD2 :A 15 LEU HG : -0.589: 0
: 2136:A 64 LEU HG :A 49 ALA 2HB : -0.559: 0
: 2136:A 76 GLU 2HB :A 35 ARG 2HG : -0.523: 0
: 2136:A 65 ARG 1HH1 :A 73 ILE 1HG2 : -0.519: 0
: 2136:A 64 LEU 3HD2 :A 65 ARG N : -0.472: 0
: 2136:A 65 ARG HA :A 76 GLU HA : -0.466: 0
: 2136:A 9 ASP 2HB :A 49 ALA O : -0.465: 0
: 2136:A 64 LEU 1HB :A 61 LEU 1HD2 : -0.460: 0
: 2136:A 49 ALA 3HB :A 115 LEU 1HD2 : -0.459: 0
: 2136:A 102 LEU 3HD1 :A 98 LEU O : -0.452: 0
: 2136:A 76 GLU 2HB :A 35 ARG CG : -0.435: 0
: 2136:A 77 ILE 2HD1 :A 64 LEU 2HD2 : -0.418: 0
: 2136:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.416: 0
: 2136:A 65 ARG NH2 :A 63 LEU 1HD2 : -0.407: 0
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.572: 0
: 2136:A 25 LYS 2HB :A 36 ILE HB : -0.557: 0
: 2136:A 36 ILE 2HD1 :A 101 GLY 2HA : -0.497: 0
: 2136:A 74 VAL 1HG2 :A 45 ILE 3HD1 : -0.538: 0
: 2136:A 4 SER 2HB :A 1 MET 2HG : -0.538: 0
: 2136:A 40 ILE 1HG2 :A 74 VAL 1HG1 : -0.514: 0
: 2136:A 111 VAL HA :A 47 LEU 1HB : -0.523: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.515: 0
: 2136:A 87 THR O :A 91 VAL 3HG2 : -0.404: 0
: 2136:A 48 LYS 2HG :A 46 MET 2HG : -0.506: 0
: 2136:A 67 PHE HZ :A 48 LYS 1HD : -0.492: 0
: 2136:A 48 LYS 1HB :A 67 PHE HE1 : -0.477: 0
: 2136:A 5 ARG 2HB :A 53 VAL HB : -0.493: 0
: 2136:A 41 MET 1HG :A 105 ASN 2HB : -0.491: 0
: 2136:A 27 LYS 1HG :A 97 VAL 1HG1 : -0.482: 0
: 2136:A 97 VAL 3HG2 :A 93 ASN O : -0.454: 0
: 2136:A 90 ASP HA :A 93 ASN ND2 : -0.445: 0
: 2136:A 79 PRO HA :A 32 LEU 3HD2 : -0.443: 0
: 2136:A 62 ILE 3HD1 :A 51 PHE HA : -0.412: 0
: 2136:A 80 LEU 1HD2 :A 33 CYS 1HB : -0.405: 0
: 2136:A 54 ILE O :A 57 ARG 2HG : -0.402: 0
#sum2 ::17.32 clashscore : 17.32 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242874 potential dots:15180.0 A^2:37 bumps:37 bumps B<40:677.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.726: 0
: 2136:A 77 ILE 2HD1 :A 64 LEU 3HD1 : -0.697: 0
: 2136:A 17 ARG 1HB :A 14 GLU HA : -0.671: 0
: 2136:A 79 PRO HA :A 32 LEU HA : -0.608: 0
: 2136:A 61 LEU 2HD1 :A 51 PHE 2HB : -0.553: 0
: 2136:A 73 ILE 3HD1 :A 65 ARG HE : -0.507: 0
: 2136:A 17 ARG 2HB :A 73 ILE 1HD1 : -0.499: 0
: 2136:A 64 LEU 1HD2 :A 47 LEU 2HB : -0.491: 0
: 2136:A 73 ILE 3HD1 :A 65 ARG NE : -0.470: 0
: 2136:A 61 LEU O :A 79 PRO 2HG : -0.447: 0
: 2136:A 64 LEU 3HD2 :A 65 ARG N : -0.440: 0
: 2136:A 65 ARG 1HB :A 67 PHE CE1 : -0.423: 0
: 2136:A 14 GLU 1HB :A 67 PHE CE2 : -0.418: 0
: 2136:A 79 PRO 1HD :A 78 SER HA : -0.413: 0
: 2136:A 64 LEU HG :A 49 ALA 2HB : -0.409: 0
: 2136:A 64 LEU 1HB :A 61 LEU 1HD2 : -0.401: 0
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.664: 0
: 2136:A 118 PHE 2HB :A 58 LEU 1HB : -0.617: 0
: 2136:A 58 LEU 3HD1 :A 119 ALA 2HB : -0.547: 0
: 2136:A 92 LYS 2HG :A 88 ILE O : -0.469: 0
: 2136:A 88 ILE HB :A 58 LEU O : -0.453: 0
: 2136:A 36 ILE 1HD1 :A 98 LEU HA : -0.518: 0
: 2136:A 25 LYS 2HB :A 36 ILE HB : -0.517: 0
: 2136:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.405: 0
: 2136:A 33 CYS HA :A 28 VAL HA : -0.515: 0
: 2136:A 26 GLN NE2 :A 33 CYS 1HB : -0.432: 0
: 2136:A 99 ILE O :A 103 GLU 2HG : -0.498: 0
: 2136:A 41 MET 1HG :A 105 ASN 2HB : -0.485: 0
: 2136:A 97 VAL 3HG2 :A 93 ASN O : -0.480: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.477: 0
: 2136:A 133 LEU H :A 133 LEU 2HD1 : -0.475: 0
: 2136:A 108 THR HB :A 44 ASN HA : -0.459: 0
: 2136:A 44 ASN 1HB :A 69 GLU 2HB : -0.402: 0
: 2136:A 40 ILE 1HG2 :A 74 VAL 1HG1 : -0.425: 0
: 2136:A 19 TRP HH2 :A 35 ARG 2HG : -0.421: 0
: 2136:A 54 ILE 2HG2 :A 59 GLU 1HB : -0.402: 0
#sum2 ::16.85 clashscore : 16.85 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242993 potential dots:15190.0 A^2:36 bumps:36 bumps B<40:662.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.707: 0
: 2136:A 65 ARG 1HH1 :A 73 ILE 1HG2 : -0.611: 0
: 2136:A 101 GLY 2HA :A 36 ILE 3HD1 : -0.594: 0
: 2136:A 49 ALA 3HB :A 115 LEU 1HD2 : -0.580: 0
: 2136:A 64 LEU 1HB :A 61 LEU 1HD2 : -0.567: 0
: 2136:A 64 LEU HG :A 49 ALA 2HB : -0.549: 0
: 2136:A 65 ARG HE :A 15 LEU HA : -0.517: 0
: 2136:A 66 ALA 3HB :A 75 GLY 2HA : -0.506: 0
: 2136:A 98 LEU 2HD1 :A 36 ILE 1HG1 : -0.483: 0
: 2136:A 61 LEU 1HD1 :A 49 ALA 1HB : -0.482: 0
: 2136:A 65 ARG 2HD :A 73 ILE 3HD1 : -0.478: 0
: 2136:A 77 ILE 2HD1 :A 64 LEU 3HD1 : -0.461: 0
: 2136:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.455: 0
: 2136:A 98 LEU 1HB :A 77 ILE 1HD1 : -0.443: 0
: 2136:A 64 LEU 3HD2 :A 65 ARG N : -0.430: 0
: 2136:A 65 ARG 2HG :A 65 ARG 1HH1 : -0.420: 0
: 2136:A 17 ARG 2HB :A 73 ILE 1HD1 : -0.406: 0
: 2136:A 89 GLU HA :A 92 LYS 1HE : -0.690: 0
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.637: 0
: 2136:A 99 ILE 3HG2 :A 109 VAL 1HG2 : -0.610: 0
: 2136:A 99 ILE O :A 103 GLU 1HG : -0.538: 0
: 2136:A 99 ILE 1HD1 :A 111 VAL 2HG2 : -0.478: 0
: 2136:A 47 LEU 2HD1 :A 111 VAL 2HG2 : -0.413: 0
: 2136:A 69 GLU 1HG :A 44 ASN 1HB : -0.571: 0
: 2136:A 69 GLU CG :A 44 ASN 1HB : -0.476: 0
: 2136:A 117 ARG 2HH2 :A 56 ASP 2HB : -0.538: 0
: 2136:A 88 ILE 1HD1 :A 119 ALA HA : -0.521: 0
: 2136:A 54 ILE O :A 57 ARG 2HG : -0.484: 0
: 2136:A 88 ILE 2HG1 :A 58 LEU 2HB : -0.473: 0
: 2136:A 88 ILE 2HD1 :A 57 ARG 1HB : -0.409: 0
: 2136:A 31 PRO 1HB :A 86 HIS 2HB : -0.511: 0
: 2136:A 31 PRO 2HD :A 30 GLY 2HA : -0.400: 0
: 2136:A 78 SER 2HB :A 33 CYS SG : -0.494: 0
: 2136:A 43 LYS O :A 107 ASN 1HB : -0.493: 0
: 2136:A 107 ASN 1HD2 :A 102 LEU 2HB : -0.489: 0
: 2136:A 62 ILE 3HD1 :A 51 PHE HA : -0.475: 0
: 2136:A 25 LYS 1HD :A 38 GLN NE2 : -0.473: 0
: 2136:A 38 GLN 2HE2 :A 25 LYS 1HD : -0.470: 0
: 2136:A 53 VAL O :A 4 SER HA : -0.456: 0
: 2136:A 4 SER 1HB :A 1 MET 2HB : -0.440: 0
: 2136:A 74 VAL HB :A 37 ASP 2HB : -0.454: 0
: 2136:A 79 PRO HA :A 32 LEU HA : -0.450: 0
: 2136:A 48 LYS 2HB :A 10 MET 2HB : -0.443: 0
: 2136:A 14 GLU 2HG :A 10 MET 1HB : -0.430: 0
#sum2 ::20.60 clashscore : 20.60 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242637 potential dots:15160.0 A^2:44 bumps:44 bumps B<40:668.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.739: 0
: 2136:A 65 ARG 1HH1 :A 73 ILE 1HG2 : -0.695: 0
: 2136:A 49 ALA 3HB :A 115 LEU 1HD2 : -0.634: 0
: 2136:A 65 ARG 2HB :A 10 MET SD : -0.571: 0
: 2136:A 17 ARG 2HD :A 73 ILE 1HD1 : -0.559: 0
: 2136:A 48 LYS 2HG :A 46 MET 2HG : -0.552: 0
: 2136:A 64 LEU HG :A 49 ALA 2HB : -0.549: 0
: 2136:A 9 ASP 2HB :A 49 ALA O : -0.539: 0
: 2136:A 95 ILE 2HG1 :A 91 VAL O : -0.536: 0
: 2136:A 65 ARG 2HD :A 73 ILE 3HD1 : -0.515: 0
: 2136:A 64 LEU 3HD2 :A 65 ARG N : -0.472: 0
: 2136:A 67 PHE HD1 :A 65 ARG 1HG : -0.436: 0
: 2136:A 67 PHE HZ :A 48 LYS 1HD : -0.430: 0
: 2136:A 65 ARG 2HD :A 73 ILE CD1 : -0.412: 0
: 2136:A 95 ILE 1HG1 :A 64 LEU CD1 : -0.410: 0
: 2136:A 48 LYS 1HG :A 112 SER 2HB : -0.402: 0
: 2136:A 101 GLY 2HA :A 36 ILE 3HD1 : -0.593: 0
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.591: 0
: 2136:A 99 ILE 1HD1 :A 111 VAL 2HG2 : -0.547: 0
: 2136:A 111 VAL HA :A 47 LEU 1HB : -0.477: 0
: 2136:A 99 ILE 3HG2 :A 109 VAL 1HG2 : -0.426: 0
: 2136:A 21 MET SD :A 19 TRP CZ3 : -0.512: 0
: 2136:A 21 MET SD :A 19 TRP HZ3 : -0.451: 0
: 2136:A 40 ILE 3HG2 :A 43 LYS 2HG : -0.498: 0
: 2136:A 40 ILE 1HG2 :A 74 VAL 1HG1 : -0.417: 0
: 2136:A 88 ILE 1HD1 :A 119 ALA HA : -0.495: 0
: 2136:A 88 ILE HB :A 58 LEU O : -0.477: 0
: 2136:A 92 LYS 2HG :A 88 ILE O : -0.452: 0
: 2136:A 102 LEU 2HD2 :A 45 ILE 2HD1 : -0.477: 0
: 2136:A 79 PRO HA :A 32 LEU 3HD2 : -0.475: 0
: 2136:A 97 VAL 3HG2 :A 93 ASN O : -0.461: 0
: 2136:A 39 ALA 1HB :A 22 LEU 3HD2 : -0.455: 0
: 2136:A 23 MET 1HG :A 39 ALA 2HB : -0.400: 0
: 2136:A 6 TYR HA :A 52 SER HA : -0.445: 0
: 2136:A 104 ARG 2HG :A 100 GLY O : -0.440: 0
: 2136:A 25 LYS 2HD :A 38 GLN 2HE2 : -0.431: 0
: 2136:A 105 ASN ND2 :A 38 GLN HA : -0.413: 0
: 2136:A 38 GLN HA :A 105 ASN 1HD2 : -0.402: 0
#sum2 ::17.79 clashscore : 17.79 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:243032 potential dots:15190.0 A^2:38 bumps:38 bumps B<40:650.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2136:A 65 ARG 1HG :A 10 MET SD : -0.666: 0
: 2136:A 77 ILE HB :A 64 LEU 2HB : -0.638: 0
: 2136:A 65 ARG HA :A 76 GLU HA : -0.627: 0
: 2136:A 65 ARG 1HH1 :A 73 ILE 3HD1 : -0.586: 0
: 2136:A 65 ARG 1HH1 :A 73 ILE 1HG2 : -0.553: 0
: 2136:A 67 PHE HD1 :A 65 ARG 2HG : -0.502: 0
: 2136:A 64 LEU 3HD2 :A 65 ARG N : -0.490: 0
: 2136:A 73 ILE 3HD1 :A 65 ARG NH1 : -0.454: 0
: 2136:A 63 LEU 1HD2 :A 65 ARG NH2 : -0.434: 0
: 2136:A 64 LEU HG :A 49 ALA 2HB : -0.407: 0
: 2136:A 120 TRP 2HB :A 116 GLN HA : -0.628: 0
: 2136:A 88 ILE 1HD1 :A 119 ALA HA : -0.606: 0
: 2136:A 88 ILE HB :A 58 LEU O : -0.518: 0
: 2136:A 88 ILE 2HG1 :A 58 LEU 2HB : -0.416: 0
: 2136:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.546: 0
: 2136:A 79 PRO HA :A 32 LEU 3HD2 : -0.536: 0
: 2136:A 68 THR 2HG2 :A 45 ILE 1HG1 : -0.508: 0
: 2136:A 102 LEU 2HD2 :A 45 ILE 2HD1 : -0.488: 0
: 2136:A 99 ILE O :A 103 GLU 1HG : -0.495: 0
: 2136:A 99 ILE 3HG2 :A 109 VAL 1HG2 : -0.480: 0
: 2136:A 61 LEU 2HB :A 86 HIS NE2 : -0.482: 0
: 2136:A 47 LEU 2HD1 :A 111 VAL 2HG2 : -0.473: 0
: 2136:A 111 VAL HA :A 47 LEU 1HB : -0.459: 0
: 2136:A 101 GLY 2HA :A 36 ILE 3HD1 : -0.457: 0
: 2136:A 38 GLN HA :A 105 ASN 1HD2 : -0.452: 0
: 2136:A 2 PRO 2HD :A 1 MET 1HB : -0.450: 0
: 2136:A 1 MET SD :A 1 MET N : -0.448: 0
: 2136:A 100 GLY O :A 104 ARG 1HG : -0.423: 0
: 2136:A 37 ASP HA :A 23 MET O : -0.422: 0
: 2136:A 74 VAL HB :A 37 ASP 2HB : -0.413: 0
: 2136:A 17 ARG 1HB :A 13 GLU O : -0.414: 0
: 2136:A 69 GLU 1HG :A 44 ASN 1HB : -0.401: 0
: 2136:A 57 ARG 1HG :A 54 ILE O : -0.400: 0
#sum2 ::15.45 clashscore : 15.45 clashscore B<40
#summary::2136 atoms:2136 atoms B<40:242859 potential dots:15180.0 A^2:33 bumps:33 bumps B<40:672.2 score
Output from PDB validation software
Summary from PDB validation
May. 10, 14:05:38 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
Chain Atom Res Seq Chain Atom Res Seq Mol_ID Distance
-------------------------------------------------------------------------
A 1HH1 ARG 65 - A 2HG2 ILE 73 6 Dist = 1.45
A 1HH1 ARG 65 - A 3HG2 ILE 73 13 Dist = 1.45
A 1HH1 ARG 65 - A 3HG2 ILE 73 19 Dist = 1.47
A 1HH1 ARG 65 - A 1HG2 ILE 73 3 Dist = 1.50
A HE1 TRP 19 - A 2HH1 ARG 65 3 Dist = 1.53
A 3HG2 ILE 99 - A 2HG2 VAL 109 3 Dist = 1.53
A 2HB LEU 64 - A HB ILE 77 7 Dist = 1.54
A 1HH1 ARG 65 - A 2HG2 ILE 73 18 Dist = 1.55
A 2HD ARG 65 - A 3HD1 ILE 73 14 Dist = 1.56
A 1HH1 ARG 65 - A 3HD1 ILE 73 20 Dist = 1.59
A 2HB LEU 64 - A HB ILE 77 16 Dist = 1.59
A HA GLU 14 - A 1HB ARG 17 4 Dist = 1.60
A 1HH1 ARG 65 - A 1HG2 ILE 73 1 Dist = 1.60
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.019 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 1.2 degrees.
All covalent bond angles lie within a 6.0*RMSD range about the
standard dictionary values.
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 are missing:
(Note: The SEQ number starts from 1 for each chain according to SEQRES
sequence record.)
RES MOD#C SEQ
MET( 1 A-139 )
PRO( 1 A-138 )
ALA( 1 A-137 )
SER( 1 A-136 )
ARG( 1 A-135 )
TYR( 1 A-134 )
ILE( 1 A-133 )
THR( 1 A-132 )
ASP( 1 A-131 )
MET( 1 A-130 )
THR( 1 A-129 )
ILE( 1 A-128 )
GLU( 1 A-127 )
GLU( 1 A-126 )
LEU( 1 A-125 )
SER( 1 A-124 )
ARG( 1 A-123 )
ASP( 1 A-122 )
TRP( 1 A-121 )
PHE( 1 A-120 )
MET( 1 A-119 )
LEU( 1 A-118 )
MET( 1 A-117 )
PRO( 1 A-116 )
LYS( 1 A-115 )
GLN( 1 A-114 )
LYS( 1 A-113 )
VAL( 1 A-112 )
GLU( 1 A-111 )
GLY( 1 A-110 )
PRO( 1 A-109 )
LEU( 1 A-108 )
CYS( 1 A-107 )
ILE( 1 A-106 )
ARG( 1 A-105 )
ILE( 1 A-104 )
ASP( 1 A-103 )
GLN( 1 A-102 )
ALA( 1 A-101 )
ILE( 1 A-100 )
MET( 1 A -99 )
ASP( 1 A -98 )
LYS( 1 A -97 )
ASN( 1 A -96 )
ILE( 1 A -95 )
MET( 1 A -94 )
LEU( 1 A -93 )
LYS( 1 A -92 )
ALA( 1 A -91 )
ASN( 1 A -90 )
PHE( 1 A -89 )
SER( 1 A -88 )
VAL( 1 A -87 )
ILE( 1 A -86 )
PHE( 1 A -85 )
ASP( 1 A -84 )
ARG( 1 A -83 )
LEU( 1 A -82 )
GLU( 1 A -81 )
THR( 1 A -80 )
LEU( 1 A -79 )
ILE( 1 A -78 )
LEU( 1 A -77 )
LEU( 1 A -76 )
ARG( 1 A -75 )
ALA( 1 A -74 )
PHE( 1 A -73 )
THR( 1 A -72 )
GLU( 1 A -71 )
GLU( 1 A -70 )
GLY( 1 A -69 )
ALA( 1 A -68 )
ILE( 1 A -67 )
VAL( 1 A -66 )
GLY( 1 A -65 )
GLU( 1 A -64 )
ILE( 1 A -63 )
SER( 1 A -62 )
PRO( 1 A -61 )
LEU( 1 A -60 )
PRO( 1 A -59 )
SER( 1 A -58 )
PHE( 1 A -57 )
PRO( 1 A -56 )
GLY( 1 A -55 )
HIS( 1 A -54 )
THR( 1 A -53 )
ILE( 1 A -52 )
GLU( 1 A -51 )
ASP( 1 A -50 )
VAL( 1 A -49 )
LYS( 1 A -48 )
ASN( 1 A -47 )
ALA( 1 A -46 )
ILE( 1 A -45 )
GLY( 1 A -44 )
VAL( 1 A -43 )
LEU( 1 A -42 )
ILE( 1 A -41 )
GLY( 1 A -40 )
GLY( 1 A -39 )
LEU( 1 A -38 )
GLU( 1 A -37 )
ARG( 1 A -36 )
ASN( 1 A -35 )
ASP( 1 A -34 )
ASN( 1 A -33 )
THR( 1 A -32 )
VAL( 1 A -31 )
ARG( 1 A -30 )
VAL( 1 A -29 )
SER( 1 A -28 )
LYS( 1 A -27 )
THR( 1 A -26 )
LEU( 1 A -25 )
GLN( 1 A -24 )
ARG( 1 A -23 )
PHE( 1 A -22 )
ALA( 1 A -21 )
TRP( 1 A -20 )
GLY( 1 A -19 )
SER( 1 A -18 )
SER( 1 A -17 )
ASN( 1 A -16 )
GLU( 1 A -15 )
ASN( 1 A -14 )
GLY( 1 A -13 )
ARG( 1 A -12 )
PRO( 1 A -11 )
PRO( 1 A -10 )
LEU( 1 A -9 )
THR( 1 A -8 )
LEU( 1 A -7 )
GLU( 1 A -6 )
HIS( 1 A -5 )
HIS( 1 A -4 )
HIS( 1 A -3 )
HIS( 1 A -2 )
HIS( 1 A -1 )
HIS( 1 A 0 )
MET( 2 A-139 )
PRO( 2 A-138 )
ALA( 2 A-137 )
SER( 2 A-136 )
ARG( 2 A-135 )
TYR( 2 A-134 )
ILE( 2 A-133 )
THR( 2 A-132 )
ASP( 2 A-131 )
MET( 2 A-130 )
THR( 2 A-129 )
ILE( 2 A-128 )
GLU( 2 A-127 )
GLU( 2 A-126 )
LEU( 2 A-125 )
SER( 2 A-124 )
ARG( 2 A-123 )
ASP( 2 A-122 )
TRP( 2 A-121 )
PHE( 2 A-120 )
MET( 2 A-119 )
LEU( 2 A-118 )
MET( 2 A-117 )
PRO( 2 A-116 )
LYS( 2 A-115 )
GLN( 2 A-114 )
LYS( 2 A-113 )
VAL( 2 A-112 )
GLU( 2 A-111 )
GLY( 2 A-110 )
PRO( 2 A-109 )
LEU( 2 A-108 )
CYS( 2 A-107 )
ILE( 2 A-106 )
ARG( 2 A-105 )
ILE( 2 A-104 )
ASP( 2 A-103 )
GLN( 2 A-102 )
ALA( 2 A-101 )
ILE( 2 A-100 )
MET( 2 A -99 )
ASP( 2 A -98 )
LYS( 2 A -97 )
ASN( 2 A -96 )
ILE( 2 A -95 )
MET( 2 A -94 )
LEU( 2 A -93 )
LYS( 2 A -92 )
ALA( 2 A -91 )
ASN( 2 A -90 )
PHE( 2 A -89 )
SER( 2 A -88 )
VAL( 2 A -87 )
ILE( 2 A -86 )
PHE( 2 A -85 )
ASP( 2 A -84 )
ARG( 2 A -83 )
LEU( 2 A -82 )
GLU( 2 A -81 )
THR( 2 A -80 )
LEU( 2 A -79 )
ILE( 2 A -78 )
LEU( 2 A -77 )
LEU( 2 A -76 )
ARG( 2 A -75 )
ALA( 2 A -74 )
PHE( 2 A -73 )
THR( 2 A -72 )
GLU( 2 A -71 )
GLU( 2 A -70 )
GLY( 2 A -69 )
ALA( 2 A -68 )
ILE( 2 A -67 )
VAL( 2 A -66 )
GLY( 2 A -65 )
GLU( 2 A -64 )
ILE( 2 A -63 )
SER( 2 A -62 )
PRO( 2 A -61 )
LEU( 2 A -60 )
PRO( 2 A -59 )
SER( 2 A -58 )
PHE( 2 A -57 )
PRO( 2 A -56 )
GLY( 2 A -55 )
HIS( 2 A -54 )
THR( 2 A -53 )
ILE( 2 A -52 )
GLU( 2 A -51 )
ASP( 2 A -50 )
VAL( 2 A -49 )
LYS( 2 A -48 )
ASN( 2 A -47 )
ALA( 2 A -46 )
ILE( 2 A -45 )
GLY( 2 A -44 )
VAL( 2 A -43 )
LEU( 2 A -42 )
ILE( 2 A -41 )
GLY( 2 A -40 )
GLY( 2 A -39 )
LEU( 2 A -38 )
GLU( 2 A -37 )
ARG( 2 A -36 )
ASN( 2 A -35 )
ASP( 2 A -34 )
ASN( 2 A -33 )
THR( 2 A -32 )
VAL( 2 A -31 )
ARG( 2 A -30 )
VAL( 2 A -29 )
SER( 2 A -28 )
LYS( 2 A -27 )
THR( 2 A -26 )
LEU( 2 A -25 )
GLN( 2 A -24 )
ARG( 2 A -23 )
PHE( 2 A -22 )
ALA( 2 A -21 )
TRP( 2 A -20 )
GLY( 2 A -19 )
SER( 2 A -18 )
SER( 2 A -17 )
ASN( 2 A -16 )
GLU( 2 A -15 )
ASN( 2 A -14 )
GLY( 2 A -13 )
ARG( 2 A -12 )
PRO( 2 A -11 )
PRO( 2 A -10 )
LEU( 2 A -9 )
THR( 2 A -8 )
LEU( 2 A -7 )
GLU( 2 A -6 )
HIS( 2 A -5 )
HIS( 2 A -4 )
HIS( 2 A -3 )
HIS( 2 A -2 )
HIS( 2 A -1 )
HIS( 2 A 0 )
MET( 3 A-139 )
PRO( 3 A-138 )
ALA( 3 A-137 )
SER( 3 A-136 )
ARG( 3 A-135 )
TYR( 3 A-134 )
ILE( 3 A-133 )
THR( 3 A-132 )
ASP( 3 A-131 )
MET( 3 A-130 )
THR( 3 A-129 )
ILE( 3 A-128 )
GLU( 3 A-127 )
GLU( 3 A-126 )
LEU( 3 A-125 )
SER( 3 A-124 )
ARG( 3 A-123 )
ASP( 3 A-122 )
TRP( 3 A-121 )
PHE( 3 A-120 )
MET( 3 A-119 )
LEU( 3 A-118 )
MET( 3 A-117 )
PRO( 3 A-116 )
LYS( 3 A-115 )
GLN( 3 A-114 )
LYS( 3 A-113 )
VAL( 3 A-112 )
GLU( 3 A-111 )
GLY( 3 A-110 )
PRO( 3 A-109 )
LEU( 3 A-108 )
CYS( 3 A-107 )
ILE( 3 A-106 )
ARG( 3 A-105 )
ILE( 3 A-104 )
ASP( 3 A-103 )
GLN( 3 A-102 )
ALA( 3 A-101 )
ILE( 3 A-100 )
MET( 3 A -99 )
ASP( 3 A -98 )
LYS( 3 A -97 )
ASN( 3 A -96 )
ILE( 3 A -95 )
MET( 3 A -94 )
LEU( 3 A -93 )
LYS( 3 A -92 )
ALA( 3 A -91 )
ASN( 3 A -90 )
PHE( 3 A -89 )
SER( 3 A -88 )
VAL( 3 A -87 )
ILE( 3 A -86 )
PHE( 3 A -85 )
ASP( 3 A -84 )
ARG( 3 A -83 )
LEU( 3 A -82 )
GLU( 3 A -81 )
THR( 3 A -80 )
LEU( 3 A -79 )
ILE( 3 A -78 )
LEU( 3 A -77 )
LEU( 3 A -76 )
ARG( 3 A -75 )
ALA( 3 A -74 )
PHE( 3 A -73 )
THR( 3 A -72 )
GLU( 3 A -71 )
GLU( 3 A -70 )
GLY( 3 A -69 )
ALA( 3 A -68 )
ILE( 3 A -67 )
VAL( 3 A -66 )
GLY( 3 A -65 )
GLU( 3 A -64 )
ILE( 3 A -63 )
SER( 3 A -62 )
PRO( 3 A -61 )
LEU( 3 A -60 )
PRO( 3 A -59 )
SER( 3 A -58 )
PHE( 3 A -57 )
PRO( 3 A -56 )
GLY( 3 A -55 )
HIS( 3 A -54 )
THR( 3 A -53 )
ILE( 3 A -52 )
GLU( 3 A -51 )
ASP( 3 A -50 )
VAL( 3 A -49 )
LYS( 3 A -48 )
ASN( 3 A -47 )
ALA( 3 A -46 )
ILE( 3 A -45 )
GLY( 3 A -44 )
VAL( 3 A -43 )
LEU( 3 A -42 )
ILE( 3 A -41 )
GLY( 3 A -40 )
GLY( 3 A -39 )
LEU( 3 A -38 )
GLU( 3 A -37 )
ARG( 3 A -36 )
ASN( 3 A -35 )
ASP( 3 A -34 )
ASN( 3 A -33 )
THR( 3 A -32 )
VAL( 3 A -31 )
ARG( 3 A -30 )
VAL( 3 A -29 )
SER( 3 A -28 )
LYS( 3 A -27 )
THR( 3 A -26 )
LEU( 3 A -25 )
GLN( 3 A -24 )
ARG( 3 A -23 )
PHE( 3 A -22 )
ALA( 3 A -21 )
TRP( 3 A -20 )
GLY( 3 A -19 )
SER( 3 A -18 )
SER( 3 A -17 )
ASN( 3 A -16 )
GLU( 3 A -15 )
ASN( 3 A -14 )
GLY( 3 A -13 )
ARG( 3 A -12 )
PRO( 3 A -11 )
PRO( 3 A -10 )
LEU( 3 A -9 )
THR( 3 A -8 )
LEU( 3 A -7 )
GLU( 3 A -6 )
HIS( 3 A -5 )
HIS( 3 A -4 )
HIS( 3 A -3 )
HIS( 3 A -2 )
HIS( 3 A -1 )
HIS( 3 A 0 )
MET( 4 A-139 )
PRO( 4 A-138 )
ALA( 4 A-137 )
SER( 4 A-136 )
ARG( 4 A-135 )
TYR( 4 A-134 )
ILE( 4 A-133 )
THR( 4 A-132 )
ASP( 4 A-131 )
MET( 4 A-130 )
THR( 4 A-129 )
ILE( 4 A-128 )
GLU( 4 A-127 )
GLU( 4 A-126 )
LEU( 4 A-125 )
SER( 4 A-124 )
ARG( 4 A-123 )
ASP( 4 A-122 )
TRP( 4 A-121 )
PHE( 4 A-120 )
MET( 4 A-119 )
LEU( 4 A-118 )
MET( 4 A-117 )
PRO( 4 A-116 )
LYS( 4 A-115 )
GLN( 4 A-114 )
LYS( 4 A-113 )
VAL( 4 A-112 )
GLU( 4 A-111 )
GLY( 4 A-110 )
PRO( 4 A-109 )
LEU( 4 A-108 )
CYS( 4 A-107 )
ILE( 4 A-106 )
ARG( 4 A-105 )
ILE( 4 A-104 )
ASP( 4 A-103 )
GLN( 4 A-102 )
ALA( 4 A-101 )
ILE( 4 A-100 )
MET( 4 A -99 )
ASP( 4 A -98 )
LYS( 4 A -97 )
ASN( 4 A -96 )
ILE( 4 A -95 )
MET( 4 A -94 )
LEU( 4 A -93 )
LYS( 4 A -92 )
ALA( 4 A -91 )
ASN( 4 A -90 )
PHE( 4 A -89 )
SER( 4 A -88 )
VAL( 4 A -87 )
ILE( 4 A -86 )
PHE( 4 A -85 )
ASP( 4 A -84 )
ARG( 4 A -83 )
LEU( 4 A -82 )
GLU( 4 A -81 )
THR( 4 A -80 )
LEU( 4 A -79 )
ILE( 4 A -78 )
LEU( 4 A -77 )
LEU( 4 A -76 )
ARG( 4 A -75 )
ALA( 4 A -74 )
PHE( 4 A -73 )
THR( 4 A -72 )
GLU( 4 A -71 )
GLU( 4 A -70 )
GLY( 4 A -69 )
ALA( 4 A -68 )
ILE( 4 A -67 )
VAL( 4 A -66 )
GLY( 4 A -65 )
GLU( 4 A -64 )
ILE( 4 A -63 )
SER( 4 A -62 )
PRO( 4 A -61 )
LEU( 4 A -60 )
PRO( 4 A -59 )
SER( 4 A -58 )
PHE( 4 A -57 )
PRO( 4 A -56 )
GLY( 4 A -55 )
HIS( 4 A -54 )
THR( 4 A -53 )
ILE( 4 A -52 )
GLU( 4 A -51 )
ASP( 4 A -50 )
VAL( 4 A -49 )
LYS( 4 A -48 )
ASN( 4 A -47 )
ALA( 4 A -46 )
ILE( 4 A -45 )
GLY( 4 A -44 )
VAL( 4 A -43 )
LEU( 4 A -42 )
ILE( 4 A -41 )
GLY( 4 A -40 )
GLY( 4 A -39 )
LEU( 4 A -38 )
GLU( 4 A -37 )
ARG( 4 A -36 )
ASN( 4 A -35 )
ASP( 4 A -34 )
ASN( 4 A -33 )
THR( 4 A -32 )
VAL( 4 A -31 )
ARG( 4 A -30 )
VAL( 4 A -29 )
SER( 4 A -28 )
LYS( 4 A -27 )
THR( 4 A -26 )
LEU( 4 A -25 )
GLN( 4 A -24 )
ARG( 4 A -23 )
PHE( 4 A -22 )
ALA( 4 A -21 )
TRP( 4 A -20 )
GLY( 4 A -19 )
SER( 4 A -18 )
SER( 4 A -17 )
ASN( 4 A -16 )
GLU( 4 A -15 )
ASN( 4 A -14 )
GLY( 4 A -13 )
ARG( 4 A -12 )
PRO( 4 A -11 )
PRO( 4 A -10 )
LEU( 4 A -9 )
THR( 4 A -8 )
LEU( 4 A -7 )
GLU( 4 A -6 )
HIS( 4 A -5 )
HIS( 4 A -4 )
HIS( 4 A -3 )
HIS( 4 A -2 )
HIS( 4 A -1 )
HIS( 4 A 0 )
MET( 5 A-139 )
PRO( 5 A-138 )
ALA( 5 A-137 )
SER( 5 A-136 )
ARG( 5 A-135 )
TYR( 5 A-134 )
ILE( 5 A-133 )
THR( 5 A-132 )
ASP( 5 A-131 )
MET( 5 A-130 )
THR( 5 A-129 )
ILE( 5 A-128 )
GLU( 5 A-127 )
GLU( 5 A-126 )
LEU( 5 A-125 )
SER( 5 A-124 )
ARG( 5 A-123 )
ASP( 5 A-122 )
TRP( 5 A-121 )
PHE( 5 A-120 )
MET( 5 A-119 )
LEU( 5 A-118 )
MET( 5 A-117 )
PRO( 5 A-116 )
LYS( 5 A-115 )
GLN( 5 A-114 )
LYS( 5 A-113 )
VAL( 5 A-112 )
GLU( 5 A-111 )
GLY( 5 A-110 )
PRO( 5 A-109 )
LEU( 5 A-108 )
CYS( 5 A-107 )
ILE( 5 A-106 )
ARG( 5 A-105 )
ILE( 5 A-104 )
ASP( 5 A-103 )
GLN( 5 A-102 )
ALA( 5 A-101 )
ILE( 5 A-100 )
MET( 5 A -99 )
ASP( 5 A -98 )
LYS( 5 A -97 )
ASN( 5 A -96 )
ILE( 5 A -95 )
MET( 5 A -94 )
LEU( 5 A -93 )
LYS( 5 A -92 )
ALA( 5 A -91 )
ASN( 5 A -90 )
PHE( 5 A -89 )
SER( 5 A -88 )
VAL( 5 A -87 )
ILE( 5 A -86 )
PHE( 5 A -85 )
ASP( 5 A -84 )
ARG( 5 A -83 )
LEU( 5 A -82 )
GLU( 5 A -81 )
THR( 5 A -80 )
LEU( 5 A -79 )
ILE( 5 A -78 )
LEU( 5 A -77 )
LEU( 5 A -76 )
ARG( 5 A -75 )
ALA( 5 A -74 )
PHE( 5 A -73 )
THR( 5 A -72 )
GLU( 5 A -71 )
GLU( 5 A -70 )
GLY( 5 A -69 )
ALA( 5 A -68 )
ILE( 5 A -67 )
VAL( 5 A -66 )
GLY( 5 A -65 )
GLU( 5 A -64 )
ILE( 5 A -63 )
SER( 5 A -62 )
PRO( 5 A -61 )
LEU( 5 A -60 )
PRO( 5 A -59 )
SER( 5 A -58 )
PHE( 5 A -57 )
PRO( 5 A -56 )
GLY( 5 A -55 )
HIS( 5 A -54 )
THR( 5 A -53 )
ILE( 5 A -52 )
GLU( 5 A -51 )
ASP( 5 A -50 )
VAL( 5 A -49 )
LYS( 5 A -48 )
ASN( 5 A -47 )
ALA( 5 A -46 )
ILE( 5 A -45 )
GLY( 5 A -44 )
VAL( 5 A -43 )
LEU( 5 A -42 )
ILE( 5 A -41 )
GLY( 5 A -40 )
GLY( 5 A -39 )
LEU( 5 A -38 )
GLU( 5 A -37 )
ARG( 5 A -36 )
ASN( 5 A -35 )
ASP( 5 A -34 )
ASN( 5 A -33 )
THR( 5 A -32 )
VAL( 5 A -31 )
ARG( 5 A -30 )
VAL( 5 A -29 )
SER( 5 A -28 )
LYS( 5 A -27 )
THR( 5 A -26 )
LEU( 5 A -25 )
GLN( 5 A -24 )
ARG( 5 A -23 )
PHE( 5 A -22 )
ALA( 5 A -21 )
TRP( 5 A -20 )
GLY( 5 A -19 )
SER( 5 A -18 )
SER( 5 A -17 )
ASN( 5 A -16 )
GLU( 5 A -15 )
ASN( 5 A -14 )
GLY( 5 A -13 )
ARG( 5 A -12 )
PRO( 5 A -11 )
PRO( 5 A -10 )
LEU( 5 A -9 )
THR( 5 A -8 )
LEU( 5 A -7 )
GLU( 5 A -6 )
HIS( 5 A -5 )
HIS( 5 A -4 )
HIS( 5 A -3 )
HIS( 5 A -2 )
HIS( 5 A -1 )
HIS( 5 A 0 )
MET( 6 A-139 )
PRO( 6 A-138 )
ALA( 6 A-137 )
SER( 6 A-136 )
ARG( 6 A-135 )
TYR( 6 A-134 )
ILE( 6 A-133 )
THR( 6 A-132 )
ASP( 6 A-131 )
MET( 6 A-130 )
THR( 6 A-129 )
ILE( 6 A-128 )
GLU( 6 A-127 )
GLU( 6 A-126 )
LEU( 6 A-125 )
SER( 6 A-124 )
ARG( 6 A-123 )
ASP( 6 A-122 )
TRP( 6 A-121 )
PHE( 6 A-120 )
MET( 6 A-119 )
LEU( 6 A-118 )
MET( 6 A-117 )
PRO( 6 A-116 )
LYS( 6 A-115 )
GLN( 6 A-114 )
LYS( 6 A-113 )
VAL( 6 A-112 )
GLU( 6 A-111 )
GLY( 6 A-110 )
PRO( 6 A-109 )
LEU( 6 A-108 )
CYS( 6 A-107 )
ILE( 6 A-106 )
ARG( 6 A-105 )
ILE( 6 A-104 )
ASP( 6 A-103 )
GLN( 6 A-102 )
ALA( 6 A-101 )
ILE( 6 A-100 )
MET( 6 A -99 )
ASP( 6 A -98 )
LYS( 6 A -97 )
ASN( 6 A -96 )
ILE( 6 A -95 )
MET( 6 A -94 )
LEU( 6 A -93 )
LYS( 6 A -92 )
ALA( 6 A -91 )
ASN( 6 A -90 )
PHE( 6 A -89 )
SER( 6 A -88 )
VAL( 6 A -87 )
ILE( 6 A -86 )
PHE( 6 A -85 )
ASP( 6 A -84 )
ARG( 6 A -83 )
LEU( 6 A -82 )
GLU( 6 A -81 )
THR( 6 A -80 )
LEU( 6 A -79 )
ILE( 6 A -78 )
LEU( 6 A -77 )
LEU( 6 A -76 )
ARG( 6 A -75 )
ALA( 6 A -74 )
PHE( 6 A -73 )
THR( 6 A -72 )
GLU( 6 A -71 )
GLU( 6 A -70 )
GLY( 6 A -69 )
ALA( 6 A -68 )
ILE( 6 A -67 )
VAL( 6 A -66 )
GLY( 6 A -65 )
GLU( 6 A -64 )
ILE( 6 A -63 )
SER( 6 A -62 )
PRO( 6 A -61 )
LEU( 6 A -60 )
PRO( 6 A -59 )
SER( 6 A -58 )
PHE( 6 A -57 )
PRO( 6 A -56 )
GLY( 6 A -55 )
HIS( 6 A -54 )
THR( 6 A -53 )
ILE( 6 A -52 )
GLU( 6 A -51 )
ASP( 6 A -50 )
VAL( 6 A -49 )
LYS( 6 A -48 )
ASN( 6 A -47 )
ALA( 6 A -46 )
ILE( 6 A -45 )
GLY( 6 A -44 )
VAL( 6 A -43 )
LEU( 6 A -42 )
ILE( 6 A -41 )
GLY( 6 A -40 )
GLY( 6 A -39 )
LEU( 6 A -38 )
GLU( 6 A -37 )
ARG( 6 A -36 )
ASN( 6 A -35 )
ASP( 6 A -34 )
ASN( 6 A -33 )
THR( 6 A -32 )
VAL( 6 A -31 )
ARG( 6 A -30 )
VAL( 6 A -29 )
SER( 6 A -28 )
LYS( 6 A -27 )
THR( 6 A -26 )
LEU( 6 A -25 )
GLN( 6 A -24 )
ARG( 6 A -23 )
PHE( 6 A -22 )
ALA( 6 A -21 )
TRP( 6 A -20 )
GLY( 6 A -19 )
SER( 6 A -18 )
SER( 6 A -17 )
ASN( 6 A -16 )
GLU( 6 A -15 )
ASN( 6 A -14 )
GLY( 6 A -13 )
ARG( 6 A -12 )
PRO( 6 A -11 )
PRO( 6 A -10 )
LEU( 6 A -9 )
THR( 6 A -8 )
LEU( 6 A -7 )
GLU( 6 A -6 )
HIS( 6 A -5 )
HIS( 6 A -4 )
HIS( 6 A -3 )
HIS( 6 A -2 )
HIS( 6 A -1 )
HIS( 6 A 0 )
MET( 7 A-139 )
PRO( 7 A-138 )
ALA( 7 A-137 )
SER( 7 A-136 )
ARG( 7 A-135 )
TYR( 7 A-134 )
ILE( 7 A-133 )
THR( 7 A-132 )
ASP( 7 A-131 )
MET( 7 A-130 )
THR( 7 A-129 )
ILE( 7 A-128 )
GLU( 7 A-127 )
GLU( 7 A-126 )
LEU( 7 A-125 )
SER( 7 A-124 )
ARG( 7 A-123 )
ASP( 7 A-122 )
TRP( 7 A-121 )
PHE( 7 A-120 )
MET( 7 A-119 )
LEU( 7 A-118 )
MET( 7 A-117 )
PRO( 7 A-116 )
LYS( 7 A-115 )
GLN( 7 A-114 )
LYS( 7 A-113 )
VAL( 7 A-112 )
GLU( 7 A-111 )
GLY( 7 A-110 )
PRO( 7 A-109 )
LEU( 7 A-108 )
CYS( 7 A-107 )
ILE( 7 A-106 )
ARG( 7 A-105 )
ILE( 7 A-104 )
ASP( 7 A-103 )
GLN( 7 A-102 )
ALA( 7 A-101 )
ILE( 7 A-100 )
MET( 7 A -99 )
ASP( 7 A -98 )
LYS( 7 A -97 )
ASN( 7 A -96 )
ILE( 7 A -95 )
MET( 7 A -94 )
LEU( 7 A -93 )
LYS( 7 A -92 )
ALA( 7 A -91 )
ASN( 7 A -90 )
PHE( 7 A -89 )
SER( 7 A -88 )
VAL( 7 A -87 )
ILE( 7 A -86 )
PHE( 7 A -85 )
ASP( 7 A -84 )
ARG( 7 A -83 )
LEU( 7 A -82 )
GLU( 7 A -81 )
THR( 7 A -80 )
LEU( 7 A -79 )
ILE( 7 A -78 )
LEU( 7 A -77 )
LEU( 7 A -76 )
ARG( 7 A -75 )
ALA( 7 A -74 )
PHE( 7 A -73 )
THR( 7 A -72 )
GLU( 7 A -71 )
GLU( 7 A -70 )
GLY( 7 A -69 )
ALA( 7 A -68 )
ILE( 7 A -67 )
VAL( 7 A -66 )
GLY( 7 A -65 )
GLU( 7 A -64 )
ILE( 7 A -63 )
SER( 7 A -62 )
PRO( 7 A -61 )
LEU( 7 A -60 )
PRO( 7 A -59 )
SER( 7 A -58 )
PHE( 7 A -57 )
PRO( 7 A -56 )
GLY( 7 A -55 )
HIS( 7 A -54 )
THR( 7 A -53 )
ILE( 7 A -52 )
GLU( 7 A -51 )
ASP( 7 A -50 )
VAL( 7 A -49 )
LYS( 7 A -48 )
ASN( 7 A -47 )
ALA( 7 A -46 )
ILE( 7 A -45 )
GLY( 7 A -44 )
VAL( 7 A -43 )
LEU( 7 A -42 )
ILE( 7 A -41 )
GLY( 7 A -40 )
GLY( 7 A -39 )
LEU( 7 A -38 )
GLU( 7 A -37 )
ARG( 7 A -36 )
ASN( 7 A -35 )
ASP( 7 A -34 )
ASN( 7 A -33 )
THR( 7 A -32 )
VAL( 7 A -31 )
ARG( 7 A -30 )
VAL( 7 A -29 )
SER( 7 A -28 )
LYS( 7 A -27 )
THR( 7 A -26 )
LEU( 7 A -25 )
GLN( 7 A -24 )
ARG( 7 A -23 )
PHE( 7 A -22 )
ALA( 7 A -21 )
TRP( 7 A -20 )
GLY( 7 A -19 )
SER( 7 A -18 )
SER( 7 A -17 )
ASN( 7 A -16 )
GLU( 7 A -15 )
ASN( 7 A -14 )
GLY( 7 A -13 )
ARG( 7 A -12 )
PRO( 7 A -11 )
PRO( 7 A -10 )
LEU( 7 A -9 )
THR( 7 A -8 )
LEU( 7 A -7 )
GLU( 7 A -6 )
HIS( 7 A -5 )
HIS( 7 A -4 )
HIS( 7 A -3 )
HIS( 7 A -2 )
HIS( 7 A -1 )
HIS( 7 A 0 )
MET( 8 A-139 )
PRO( 8 A-138 )
ALA( 8 A-137 )
SER( 8 A-136 )
ARG( 8 A-135 )
TYR( 8 A-134 )
ILE( 8 A-133 )
THR( 8 A-132 )
ASP( 8 A-131 )
MET( 8 A-130 )
THR( 8 A-129 )
ILE( 8 A-128 )
GLU( 8 A-127 )
GLU( 8 A-126 )
LEU( 8 A-125 )
SER( 8 A-124 )
ARG( 8 A-123 )
ASP( 8 A-122 )
TRP( 8 A-121 )
PHE( 8 A-120 )
MET( 8 A-119 )
LEU( 8 A-118 )
MET( 8 A-117 )
PRO( 8 A-116 )
LYS( 8 A-115 )
GLN( 8 A-114 )
LYS( 8 A-113 )
VAL( 8 A-112 )
GLU( 8 A-111 )
GLY( 8 A-110 )
PRO( 8 A-109 )
LEU( 8 A-108 )
CYS( 8 A-107 )
ILE( 8 A-106 )
ARG( 8 A-105 )
ILE( 8 A-104 )
ASP( 8 A-103 )
GLN( 8 A-102 )
ALA( 8 A-101 )
ILE( 8 A-100 )
MET( 8 A -99 )
ASP( 8 A -98 )
LYS( 8 A -97 )
ASN( 8 A -96 )
ILE( 8 A -95 )
MET( 8 A -94 )
LEU( 8 A -93 )
LYS( 8 A -92 )
ALA( 8 A -91 )
ASN( 8 A -90 )
PHE( 8 A -89 )
SER( 8 A -88 )
VAL( 8 A -87 )
ILE( 8 A -86 )
PHE( 8 A -85 )
ASP( 8 A -84 )
ARG( 8 A -83 )
LEU( 8 A -82 )
GLU( 8 A -81 )
THR( 8 A -80 )
LEU( 8 A -79 )
ILE( 8 A -78 )
LEU( 8 A -77 )
LEU( 8 A -76 )
ARG( 8 A -75 )
ALA( 8 A -74 )
PHE( 8 A -73 )
THR( 8 A -72 )
GLU( 8 A -71 )
GLU( 8 A -70 )
GLY( 8 A -69 )
ALA( 8 A -68 )
ILE( 8 A -67 )
VAL( 8 A -66 )
GLY( 8 A -65 )
GLU( 8 A -64 )
ILE( 8 A -63 )
SER( 8 A -62 )
PRO( 8 A -61 )
LEU( 8 A -60 )
PRO( 8 A -59 )
SER( 8 A -58 )
PHE( 8 A -57 )
PRO( 8 A -56 )
GLY( 8 A -55 )
HIS( 8 A -54 )
THR( 8 A -53 )
ILE( 8 A -52 )
GLU( 8 A -51 )
ASP( 8 A -50 )
VAL( 8 A -49 )
LYS( 8 A -48 )
ASN( 8 A -47 )
ALA( 8 A -46 )
ILE( 8 A -45 )
GLY( 8 A -44 )
VAL( 8 A -43 )
LEU( 8 A -42 )
ILE( 8 A -41 )
GLY( 8 A -40 )
GLY( 8 A -39 )
LEU( 8 A -38 )
GLU( 8 A -37 )
ARG( 8 A -36 )
ASN( 8 A -35 )
ASP( 8 A -34 )
ASN( 8 A -33 )
THR( 8 A -32 )
VAL( 8 A -31 )
ARG( 8 A -30 )
VAL( 8 A -29 )
SER( 8 A -28 )
LYS( 8 A -27 )
THR( 8 A -26 )
LEU( 8 A -25 )
GLN( 8 A -24 )
ARG( 8 A -23 )
PHE( 8 A -22 )
ALA( 8 A -21 )
TRP( 8 A -20 )
GLY( 8 A -19 )
SER( 8 A -18 )
SER( 8 A -17 )
ASN( 8 A -16 )
GLU( 8 A -15 )
ASN( 8 A -14 )
GLY( 8 A -13 )
ARG( 8 A -12 )
PRO( 8 A -11 )
PRO( 8 A -10 )
LEU( 8 A -9 )
THR( 8 A -8 )
LEU( 8 A -7 )
GLU( 8 A -6 )
HIS( 8 A -5 )
HIS( 8 A -4 )
HIS( 8 A -3 )
HIS( 8 A -2 )
HIS( 8 A -1 )
HIS( 8 A 0 )
MET( 9 A-139 )
PRO( 9 A-138 )
ALA( 9 A-137 )
SER( 9 A-136 )
ARG( 9 A-135 )
TYR( 9 A-134 )
ILE( 9 A-133 )
THR( 9 A-132 )
ASP( 9 A-131 )
MET( 9 A-130 )
THR( 9 A-129 )
ILE( 9 A-128 )
GLU( 9 A-127 )
GLU( 9 A-126 )
LEU( 9 A-125 )
SER( 9 A-124 )
ARG( 9 A-123 )
ASP( 9 A-122 )
TRP( 9 A-121 )
PHE( 9 A-120 )
MET( 9 A-119 )
LEU( 9 A-118 )
MET( 9 A-117 )
PRO( 9 A-116 )
LYS( 9 A-115 )
GLN( 9 A-114 )
LYS( 9 A-113 )
VAL( 9 A-112 )
GLU( 9 A-111 )
GLY( 9 A-110 )
PRO( 9 A-109 )
LEU( 9 A-108 )
CYS( 9 A-107 )
ILE( 9 A-106 )
ARG( 9 A-105 )
ILE( 9 A-104 )
ASP( 9 A-103 )
GLN( 9 A-102 )
ALA( 9 A-101 )
ILE( 9 A-100 )
MET( 9 A -99 )
ASP( 9 A -98 )
LYS( 9 A -97 )
ASN( 9 A -96 )
ILE( 9 A -95 )
MET( 9 A -94 )
LEU( 9 A -93 )
LYS( 9 A -92 )
ALA( 9 A -91 )
ASN( 9 A -90 )
PHE( 9 A -89 )
SER( 9 A -88 )
VAL( 9 A -87 )
ILE( 9 A -86 )
PHE( 9 A -85 )
ASP( 9 A -84 )
ARG( 9 A -83 )
LEU( 9 A -82 )
GLU( 9 A -81 )
THR( 9 A -80 )
LEU( 9 A -79 )
ILE( 9 A -78 )
LEU( 9 A -77 )
LEU( 9 A -76 )
ARG( 9 A -75 )
ALA( 9 A -74 )
PHE( 9 A -73 )
THR( 9 A -72 )
GLU( 9 A -71 )
GLU( 9 A -70 )
GLY( 9 A -69 )
ALA( 9 A -68 )
ILE( 9 A -67 )
VAL( 9 A -66 )
GLY( 9 A -65 )
GLU( 9 A -64 )
ILE( 9 A -63 )
SER( 9 A -62 )
PRO( 9 A -61 )
LEU( 9 A -60 )
PRO( 9 A -59 )
SER( 9 A -58 )
PHE( 9 A -57 )
PRO( 9 A -56 )
GLY( 9 A -55 )
HIS( 9 A -54 )
THR( 9 A -53 )
ILE( 9 A -52 )
GLU( 9 A -51 )
ASP( 9 A -50 )
VAL( 9 A -49 )
LYS( 9 A -48 )
ASN( 9 A -47 )
ALA( 9 A -46 )
ILE( 9 A -45 )
GLY( 9 A -44 )
VAL( 9 A -43 )
LEU( 9 A -42 )
ILE( 9 A -41 )
GLY( 9 A -40 )
GLY( 9 A -39 )
LEU( 9 A -38 )
GLU( 9 A -37 )
ARG( 9 A -36 )
ASN( 9 A -35 )
ASP( 9 A -34 )
ASN( 9 A -33 )
THR( 9 A -32 )
VAL( 9 A -31 )
ARG( 9 A -30 )
VAL( 9 A -29 )
SER( 9 A -28 )
LYS( 9 A -27 )
THR( 9 A -26 )
LEU( 9 A -25 )
GLN( 9 A -24 )
ARG( 9 A -23 )
PHE( 9 A -22 )
ALA( 9 A -21 )
TRP( 9 A -20 )
GLY( 9 A -19 )
SER( 9 A -18 )
SER( 9 A -17 )
ASN( 9 A -16 )
GLU( 9 A -15 )
ASN( 9 A -14 )
GLY( 9 A -13 )
ARG( 9 A -12 )
PRO( 9 A -11 )
PRO( 9 A -10 )
LEU( 9 A -9 )
THR( 9 A -8 )
LEU( 9 A -7 )
GLU( 9 A -6 )
HIS( 9 A -5 )
HIS( 9 A -4 )
HIS( 9 A -3 )
HIS( 9 A -2 )
HIS( 9 A -1 )
HIS( 9 A 0 )
MET( 10 A-139 )
PRO( 10 A-138 )
ALA( 10 A-137 )
SER( 10 A-136 )
ARG( 10 A-135 )
TYR( 10 A-134 )
ILE( 10 A-133 )
THR( 10 A-132 )
ASP( 10 A-131 )
MET( 10 A-130 )
THR( 10 A-129 )
ILE( 10 A-128 )
GLU( 10 A-127 )
GLU( 10 A-126 )
LEU( 10 A-125 )
SER( 10 A-124 )
ARG( 10 A-123 )
ASP( 10 A-122 )
TRP( 10 A-121 )
PHE( 10 A-120 )
MET( 10 A-119 )
LEU( 10 A-118 )
MET( 10 A-117 )
PRO( 10 A-116 )
LYS( 10 A-115 )
GLN( 10 A-114 )
LYS( 10 A-113 )
VAL( 10 A-112 )
GLU( 10 A-111 )
GLY( 10 A-110 )
PRO( 10 A-109 )
LEU( 10 A-108 )
CYS( 10 A-107 )
ILE( 10 A-106 )
ARG( 10 A-105 )
ILE( 10 A-104 )
ASP( 10 A-103 )
GLN( 10 A-102 )
ALA( 10 A-101 )
ILE( 10 A-100 )
MET( 10 A -99 )
ASP( 10 A -98 )
LYS( 10 A -97 )
ASN( 10 A -96 )
ILE( 10 A -95 )
MET( 10 A -94 )
LEU( 10 A -93 )
LYS( 10 A -92 )
ALA( 10 A -91 )
ASN( 10 A -90 )
PHE( 10 A -89 )
SER( 10 A -88 )
VAL( 10 A -87 )
ILE( 10 A -86 )
PHE( 10 A -85 )
ASP( 10 A -84 )
ARG( 10 A -83 )
LEU( 10 A -82 )
GLU( 10 A -81 )
THR( 10 A -80 )
LEU( 10 A -79 )
ILE( 10 A -78 )
LEU( 10 A -77 )
LEU( 10 A -76 )
ARG( 10 A -75 )
ALA( 10 A -74 )
PHE( 10 A -73 )
THR( 10 A -72 )
GLU( 10 A -71 )
GLU( 10 A -70 )
GLY( 10 A -69 )
ALA( 10 A -68 )
ILE( 10 A -67 )
VAL( 10 A -66 )
GLY( 10 A -65 )
GLU( 10 A -64 )
ILE( 10 A -63 )
SER( 10 A -62 )
PRO( 10 A -61 )
LEU( 10 A -60 )
PRO( 10 A -59 )
SER( 10 A -58 )
PHE( 10 A -57 )
PRO( 10 A -56 )
GLY( 10 A -55 )
HIS( 10 A -54 )
THR( 10 A -53 )
ILE( 10 A -52 )
GLU( 10 A -51 )
ASP( 10 A -50 )
VAL( 10 A -49 )
LYS( 10 A -48 )
ASN( 10 A -47 )
ALA( 10 A -46 )
ILE( 10 A -45 )
GLY( 10 A -44 )
VAL( 10 A -43 )
LEU( 10 A -42 )
ILE( 10 A -41 )
GLY( 10 A -40 )
GLY( 10 A -39 )
LEU( 10 A -38 )
GLU( 10 A -37 )
ARG( 10 A -36 )
ASN( 10 A -35 )
ASP( 10 A -34 )
ASN( 10 A -33 )
THR( 10 A -32 )
VAL( 10 A -31 )
ARG( 10 A -30 )
VAL( 10 A -29 )
SER( 10 A -28 )
LYS( 10 A -27 )
THR( 10 A -26 )
LEU( 10 A -25 )
GLN( 10 A -24 )
ARG( 10 A -23 )
PHE( 10 A -22 )
ALA( 10 A -21 )
TRP( 10 A -20 )
GLY( 10 A -19 )
SER( 10 A -18 )
SER( 10 A -17 )
ASN( 10 A -16 )
GLU( 10 A -15 )
ASN( 10 A -14 )
GLY( 10 A -13 )
ARG( 10 A -12 )
PRO( 10 A -11 )
PRO( 10 A -10 )
LEU( 10 A -9 )
THR( 10 A -8 )
LEU( 10 A -7 )
GLU( 10 A -6 )
HIS( 10 A -5 )
HIS( 10 A -4 )
HIS( 10 A -3 )
HIS( 10 A -2 )
HIS( 10 A -1 )
HIS( 10 A 0 )
MET( 11 A-139 )
PRO( 11 A-138 )
ALA( 11 A-137 )
SER( 11 A-136 )
ARG( 11 A-135 )
TYR( 11 A-134 )
ILE( 11 A-133 )
THR( 11 A-132 )
ASP( 11 A-131 )
MET( 11 A-130 )
THR( 11 A-129 )
ILE( 11 A-128 )
GLU( 11 A-127 )
GLU( 11 A-126 )
LEU( 11 A-125 )
SER( 11 A-124 )
ARG( 11 A-123 )
ASP( 11 A-122 )
TRP( 11 A-121 )
PHE( 11 A-120 )
MET( 11 A-119 )
LEU( 11 A-118 )
MET( 11 A-117 )
PRO( 11 A-116 )
LYS( 11 A-115 )
GLN( 11 A-114 )
LYS( 11 A-113 )
VAL( 11 A-112 )
GLU( 11 A-111 )
GLY( 11 A-110 )
PRO( 11 A-109 )
LEU( 11 A-108 )
CYS( 11 A-107 )
ILE( 11 A-106 )
ARG( 11 A-105 )
ILE( 11 A-104 )
ASP( 11 A-103 )
GLN( 11 A-102 )
ALA( 11 A-101 )
ILE( 11 A-100 )
MET( 11 A -99 )
ASP( 11 A -98 )
LYS( 11 A -97 )
ASN( 11 A -96 )
ILE( 11 A -95 )
MET( 11 A -94 )
LEU( 11 A -93 )
LYS( 11 A -92 )
ALA( 11 A -91 )
ASN( 11 A -90 )
PHE( 11 A -89 )
SER( 11 A -88 )
VAL( 11 A -87 )
ILE( 11 A -86 )
PHE( 11 A -85 )
ASP( 11 A -84 )
ARG( 11 A -83 )
LEU( 11 A -82 )
GLU( 11 A -81 )
THR( 11 A -80 )
LEU( 11 A -79 )
ILE( 11 A -78 )
LEU( 11 A -77 )
LEU( 11 A -76 )
ARG( 11 A -75 )
ALA( 11 A -74 )
PHE( 11 A -73 )
THR( 11 A -72 )
GLU( 11 A -71 )
GLU( 11 A -70 )
GLY( 11 A -69 )
ALA( 11 A -68 )
ILE( 11 A -67 )
VAL( 11 A -66 )
GLY( 11 A -65 )
GLU( 11 A -64 )
ILE( 11 A -63 )
SER( 11 A -62 )
PRO( 11 A -61 )
LEU( 11 A -60 )
PRO( 11 A -59 )
SER( 11 A -58 )
PHE( 11 A -57 )
PRO( 11 A -56 )
GLY( 11 A -55 )
HIS( 11 A -54 )
THR( 11 A -53 )
ILE( 11 A -52 )
GLU( 11 A -51 )
ASP( 11 A -50 )
VAL( 11 A -49 )
LYS( 11 A -48 )
ASN( 11 A -47 )
ALA( 11 A -46 )
ILE( 11 A -45 )
GLY( 11 A -44 )
VAL( 11 A -43 )
LEU( 11 A -42 )
ILE( 11 A -41 )
GLY( 11 A -40 )
GLY( 11 A -39 )
LEU( 11 A -38 )
GLU( 11 A -37 )
ARG( 11 A -36 )
ASN( 11 A -35 )
ASP( 11 A -34 )
ASN( 11 A -33 )
THR( 11 A -32 )
VAL( 11 A -31 )
ARG( 11 A -30 )
VAL( 11 A -29 )
SER( 11 A -28 )
LYS( 11 A -27 )
THR( 11 A -26 )
LEU( 11 A -25 )
GLN( 11 A -24 )
ARG( 11 A -23 )
PHE( 11 A -22 )
ALA( 11 A -21 )
TRP( 11 A -20 )
GLY( 11 A -19 )
SER( 11 A -18 )
SER( 11 A -17 )
ASN( 11 A -16 )
GLU( 11 A -15 )
ASN( 11 A -14 )
GLY( 11 A -13 )
ARG( 11 A -12 )
PRO( 11 A -11 )
PRO( 11 A -10 )
LEU( 11 A -9 )
THR( 11 A -8 )
LEU( 11 A -7 )
GLU( 11 A -6 )
HIS( 11 A -5 )
HIS( 11 A -4 )
HIS( 11 A -3 )
HIS( 11 A -2 )
HIS( 11 A -1 )
HIS( 11 A 0 )
MET( 12 A-139 )
PRO( 12 A-138 )
ALA( 12 A-137 )
SER( 12 A-136 )
ARG( 12 A-135 )
TYR( 12 A-134 )
ILE( 12 A-133 )
THR( 12 A-132 )
ASP( 12 A-131 )
MET( 12 A-130 )
THR( 12 A-129 )
ILE( 12 A-128 )
GLU( 12 A-127 )
GLU( 12 A-126 )
LEU( 12 A-125 )
SER( 12 A-124 )
ARG( 12 A-123 )
ASP( 12 A-122 )
TRP( 12 A-121 )
PHE( 12 A-120 )
MET( 12 A-119 )
LEU( 12 A-118 )
MET( 12 A-117 )
PRO( 12 A-116 )
LYS( 12 A-115 )
GLN( 12 A-114 )
LYS( 12 A-113 )
VAL( 12 A-112 )
GLU( 12 A-111 )
GLY( 12 A-110 )
PRO( 12 A-109 )
LEU( 12 A-108 )
CYS( 12 A-107 )
ILE( 12 A-106 )
ARG( 12 A-105 )
ILE( 12 A-104 )
ASP( 12 A-103 )
GLN( 12 A-102 )
ALA( 12 A-101 )
ILE( 12 A-100 )
MET( 12 A -99 )
ASP( 12 A -98 )
LYS( 12 A -97 )
ASN( 12 A -96 )
ILE( 12 A -95 )
MET( 12 A -94 )
LEU( 12 A -93 )
LYS( 12 A -92 )
ALA( 12 A -91 )
ASN( 12 A -90 )
PHE( 12 A -89 )
SER( 12 A -88 )
VAL( 12 A -87 )
ILE( 12 A -86 )
PHE( 12 A -85 )
ASP( 12 A -84 )
ARG( 12 A -83 )
LEU( 12 A -82 )
GLU( 12 A -81 )
THR( 12 A -80 )
LEU( 12 A -79 )
ILE( 12 A -78 )
LEU( 12 A -77 )
LEU( 12 A -76 )
ARG( 12 A -75 )
ALA( 12 A -74 )
PHE( 12 A -73 )
THR( 12 A -72 )
GLU( 12 A -71 )
GLU( 12 A -70 )
GLY( 12 A -69 )
ALA( 12 A -68 )
ILE( 12 A -67 )
VAL( 12 A -66 )
GLY( 12 A -65 )
GLU( 12 A -64 )
ILE( 12 A -63 )
SER( 12 A -62 )
PRO( 12 A -61 )
LEU( 12 A -60 )
PRO( 12 A -59 )
SER( 12 A -58 )
PHE( 12 A -57 )
PRO( 12 A -56 )
GLY( 12 A -55 )
HIS( 12 A -54 )
THR( 12 A -53 )
ILE( 12 A -52 )
GLU( 12 A -51 )
ASP( 12 A -50 )
VAL( 12 A -49 )
LYS( 12 A -48 )
ASN( 12 A -47 )
ALA( 12 A -46 )
ILE( 12 A -45 )
GLY( 12 A -44 )
VAL( 12 A -43 )
LEU( 12 A -42 )
ILE( 12 A -41 )
GLY( 12 A -40 )
GLY( 12 A -39 )
LEU( 12 A -38 )
GLU( 12 A -37 )
ARG( 12 A -36 )
ASN( 12 A -35 )
ASP( 12 A -34 )
ASN( 12 A -33 )
THR( 12 A -32 )
VAL( 12 A -31 )
ARG( 12 A -30 )
VAL( 12 A -29 )
SER( 12 A -28 )
LYS( 12 A -27 )
THR( 12 A -26 )
LEU( 12 A -25 )
GLN( 12 A -24 )
ARG( 12 A -23 )
PHE( 12 A -22 )
ALA( 12 A -21 )
TRP( 12 A -20 )
GLY( 12 A -19 )
SER( 12 A -18 )
SER( 12 A -17 )
ASN( 12 A -16 )
GLU( 12 A -15 )
ASN( 12 A -14 )
GLY( 12 A -13 )
ARG( 12 A -12 )
PRO( 12 A -11 )
PRO( 12 A -10 )
LEU( 12 A -9 )
THR( 12 A -8 )
LEU( 12 A -7 )
GLU( 12 A -6 )
HIS( 12 A -5 )
HIS( 12 A -4 )
HIS( 12 A -3 )
HIS( 12 A -2 )
HIS( 12 A -1 )
HIS( 12 A 0 )
MET( 13 A-139 )
PRO( 13 A-138 )
ALA( 13 A-137 )
SER( 13 A-136 )
ARG( 13 A-135 )
TYR( 13 A-134 )
ILE( 13 A-133 )
THR( 13 A-132 )
ASP( 13 A-131 )
MET( 13 A-130 )
THR( 13 A-129 )
ILE( 13 A-128 )
GLU( 13 A-127 )
GLU( 13 A-126 )
LEU( 13 A-125 )
SER( 13 A-124 )
ARG( 13 A-123 )
ASP( 13 A-122 )
TRP( 13 A-121 )
PHE( 13 A-120 )
MET( 13 A-119 )
LEU( 13 A-118 )
MET( 13 A-117 )
PRO( 13 A-116 )
LYS( 13 A-115 )
GLN( 13 A-114 )
LYS( 13 A-113 )
VAL( 13 A-112 )
GLU( 13 A-111 )
GLY( 13 A-110 )
PRO( 13 A-109 )
LEU( 13 A-108 )
CYS( 13 A-107 )
ILE( 13 A-106 )
ARG( 13 A-105 )
ILE( 13 A-104 )
ASP( 13 A-103 )
GLN( 13 A-102 )
ALA( 13 A-101 )
ILE( 13 A-100 )
MET( 13 A -99 )
ASP( 13 A -98 )
LYS( 13 A -97 )
ASN( 13 A -96 )
ILE( 13 A -95 )
MET( 13 A -94 )
LEU( 13 A -93 )
LYS( 13 A -92 )
ALA( 13 A -91 )
ASN( 13 A -90 )
PHE( 13 A -89 )
SER( 13 A -88 )
VAL( 13 A -87 )
ILE( 13 A -86 )
PHE( 13 A -85 )
ASP( 13 A -84 )
ARG( 13 A -83 )
LEU( 13 A -82 )
GLU( 13 A -81 )
THR( 13 A -80 )
LEU( 13 A -79 )
ILE( 13 A -78 )
LEU( 13 A -77 )
LEU( 13 A -76 )
ARG( 13 A -75 )
ALA( 13 A -74 )
PHE( 13 A -73 )
THR( 13 A -72 )
GLU( 13 A -71 )
GLU( 13 A -70 )
GLY( 13 A -69 )
ALA( 13 A -68 )
ILE( 13 A -67 )
VAL( 13 A -66 )
GLY( 13 A -65 )
GLU( 13 A -64 )
ILE( 13 A -63 )
SER( 13 A -62 )
PRO( 13 A -61 )
LEU( 13 A -60 )
PRO( 13 A -59 )
SER( 13 A -58 )
PHE( 13 A -57 )
PRO( 13 A -56 )
GLY( 13 A -55 )
HIS( 13 A -54 )
THR( 13 A -53 )
ILE( 13 A -52 )
GLU( 13 A -51 )
ASP( 13 A -50 )
VAL( 13 A -49 )
LYS( 13 A -48 )
ASN( 13 A -47 )
ALA( 13 A -46 )
ILE( 13 A -45 )
GLY( 13 A -44 )
VAL( 13 A -43 )
LEU( 13 A -42 )
ILE( 13 A -41 )
GLY( 13 A -40 )
GLY( 13 A -39 )
LEU( 13 A -38 )
GLU( 13 A -37 )
ARG( 13 A -36 )
ASN( 13 A -35 )
ASP( 13 A -34 )
ASN( 13 A -33 )
THR( 13 A -32 )
VAL( 13 A -31 )
ARG( 13 A -30 )
VAL( 13 A -29 )
SER( 13 A -28 )
LYS( 13 A -27 )
THR( 13 A -26 )
LEU( 13 A -25 )
GLN( 13 A -24 )
ARG( 13 A -23 )
PHE( 13 A -22 )
ALA( 13 A -21 )
TRP( 13 A -20 )
GLY( 13 A -19 )
SER( 13 A -18 )
SER( 13 A -17 )
ASN( 13 A -16 )
GLU( 13 A -15 )
ASN( 13 A -14 )
GLY( 13 A -13 )
ARG( 13 A -12 )
PRO( 13 A -11 )
PRO( 13 A -10 )
LEU( 13 A -9 )
THR( 13 A -8 )
LEU( 13 A -7 )
GLU( 13 A -6 )
HIS( 13 A -5 )
HIS( 13 A -4 )
HIS( 13 A -3 )
HIS( 13 A -2 )
HIS( 13 A -1 )
HIS( 13 A 0 )
MET( 14 A-139 )
PRO( 14 A-138 )
ALA( 14 A-137 )
SER( 14 A-136 )
ARG( 14 A-135 )
TYR( 14 A-134 )
ILE( 14 A-133 )
THR( 14 A-132 )
ASP( 14 A-131 )
MET( 14 A-130 )
THR( 14 A-129 )
ILE( 14 A-128 )
GLU( 14 A-127 )
GLU( 14 A-126 )
LEU( 14 A-125 )
SER( 14 A-124 )
ARG( 14 A-123 )
ASP( 14 A-122 )
TRP( 14 A-121 )
PHE( 14 A-120 )
MET( 14 A-119 )
LEU( 14 A-118 )
MET( 14 A-117 )
PRO( 14 A-116 )
LYS( 14 A-115 )
GLN( 14 A-114 )
LYS( 14 A-113 )
VAL( 14 A-112 )
GLU( 14 A-111 )
GLY( 14 A-110 )
PRO( 14 A-109 )
LEU( 14 A-108 )
CYS( 14 A-107 )
ILE( 14 A-106 )
ARG( 14 A-105 )
ILE( 14 A-104 )
ASP( 14 A-103 )
GLN( 14 A-102 )
ALA( 14 A-101 )
ILE( 14 A-100 )
MET( 14 A -99 )
ASP( 14 A -98 )
LYS( 14 A -97 )
ASN( 14 A -96 )
ILE( 14 A -95 )
MET( 14 A -94 )
LEU( 14 A -93 )
LYS( 14 A -92 )
ALA( 14 A -91 )
ASN( 14 A -90 )
PHE( 14 A -89 )
SER( 14 A -88 )
VAL( 14 A -87 )
ILE( 14 A -86 )
PHE( 14 A -85 )
ASP( 14 A -84 )
ARG( 14 A -83 )
LEU( 14 A -82 )
GLU( 14 A -81 )
THR( 14 A -80 )
LEU( 14 A -79 )
ILE( 14 A -78 )
LEU( 14 A -77 )
LEU( 14 A -76 )
ARG( 14 A -75 )
ALA( 14 A -74 )
PHE( 14 A -73 )
THR( 14 A -72 )
GLU( 14 A -71 )
GLU( 14 A -70 )
GLY( 14 A -69 )
ALA( 14 A -68 )
ILE( 14 A -67 )
VAL( 14 A -66 )
GLY( 14 A -65 )
GLU( 14 A -64 )
ILE( 14 A -63 )
SER( 14 A -62 )
PRO( 14 A -61 )
LEU( 14 A -60 )
PRO( 14 A -59 )
SER( 14 A -58 )
PHE( 14 A -57 )
PRO( 14 A -56 )
GLY( 14 A -55 )
HIS( 14 A -54 )
THR( 14 A -53 )
ILE( 14 A -52 )
GLU( 14 A -51 )
ASP( 14 A -50 )
VAL( 14 A -49 )
LYS( 14 A -48 )
ASN( 14 A -47 )
ALA( 14 A -46 )
ILE( 14 A -45 )
GLY( 14 A -44 )
VAL( 14 A -43 )
LEU( 14 A -42 )
ILE( 14 A -41 )
GLY( 14 A -40 )
GLY( 14 A -39 )
LEU( 14 A -38 )
GLU( 14 A -37 )
ARG( 14 A -36 )
ASN( 14 A -35 )
ASP( 14 A -34 )
ASN( 14 A -33 )
THR( 14 A -32 )
VAL( 14 A -31 )
ARG( 14 A -30 )
VAL( 14 A -29 )
SER( 14 A -28 )
LYS( 14 A -27 )
THR( 14 A -26 )
LEU( 14 A -25 )
GLN( 14 A -24 )
ARG( 14 A -23 )
PHE( 14 A -22 )
ALA( 14 A -21 )
TRP( 14 A -20 )
GLY( 14 A -19 )
SER( 14 A -18 )
SER( 14 A -17 )
ASN( 14 A -16 )
GLU( 14 A -15 )
ASN( 14 A -14 )
GLY( 14 A -13 )
ARG( 14 A -12 )
PRO( 14 A -11 )
PRO( 14 A -10 )
LEU( 14 A -9 )
THR( 14 A -8 )
LEU( 14 A -7 )
GLU( 14 A -6 )
HIS( 14 A -5 )
HIS( 14 A -4 )
HIS( 14 A -3 )
HIS( 14 A -2 )
HIS( 14 A -1 )
HIS( 14 A 0 )
MET( 15 A-139 )
PRO( 15 A-138 )
ALA( 15 A-137 )
SER( 15 A-136 )
ARG( 15 A-135 )
TYR( 15 A-134 )
ILE( 15 A-133 )
THR( 15 A-132 )
ASP( 15 A-131 )
MET( 15 A-130 )
THR( 15 A-129 )
ILE( 15 A-128 )
GLU( 15 A-127 )
GLU( 15 A-126 )
LEU( 15 A-125 )
SER( 15 A-124 )
ARG( 15 A-123 )
ASP( 15 A-122 )
TRP( 15 A-121 )
PHE( 15 A-120 )
MET( 15 A-119 )
LEU( 15 A-118 )
MET( 15 A-117 )
PRO( 15 A-116 )
LYS( 15 A-115 )
GLN( 15 A-114 )
LYS( 15 A-113 )
VAL( 15 A-112 )
GLU( 15 A-111 )
GLY( 15 A-110 )
PRO( 15 A-109 )
LEU( 15 A-108 )
CYS( 15 A-107 )
ILE( 15 A-106 )
ARG( 15 A-105 )
ILE( 15 A-104 )
ASP( 15 A-103 )
GLN( 15 A-102 )
ALA( 15 A-101 )
ILE( 15 A-100 )
MET( 15 A -99 )
ASP( 15 A -98 )
LYS( 15 A -97 )
ASN( 15 A -96 )
ILE( 15 A -95 )
MET( 15 A -94 )
LEU( 15 A -93 )
LYS( 15 A -92 )
ALA( 15 A -91 )
ASN( 15 A -90 )
PHE( 15 A -89 )
SER( 15 A -88 )
VAL( 15 A -87 )
ILE( 15 A -86 )
PHE( 15 A -85 )
ASP( 15 A -84 )
ARG( 15 A -83 )
LEU( 15 A -82 )
GLU( 15 A -81 )
THR( 15 A -80 )
LEU( 15 A -79 )
ILE( 15 A -78 )
LEU( 15 A -77 )
LEU( 15 A -76 )
ARG( 15 A -75 )
ALA( 15 A -74 )
PHE( 15 A -73 )
THR( 15 A -72 )
GLU( 15 A -71 )
GLU( 15 A -70 )
GLY( 15 A -69 )
ALA( 15 A -68 )
ILE( 15 A -67 )
VAL( 15 A -66 )
GLY( 15 A -65 )
GLU( 15 A -64 )
ILE( 15 A -63 )
SER( 15 A -62 )
PRO( 15 A -61 )
LEU( 15 A -60 )
PRO( 15 A -59 )
SER( 15 A -58 )
PHE( 15 A -57 )
PRO( 15 A -56 )
GLY( 15 A -55 )
HIS( 15 A -54 )
THR( 15 A -53 )
ILE( 15 A -52 )
GLU( 15 A -51 )
ASP( 15 A -50 )
VAL( 15 A -49 )
LYS( 15 A -48 )
ASN( 15 A -47 )
ALA( 15 A -46 )
ILE( 15 A -45 )
GLY( 15 A -44 )
VAL( 15 A -43 )
LEU( 15 A -42 )
ILE( 15 A -41 )
GLY( 15 A -40 )
GLY( 15 A -39 )
LEU( 15 A -38 )
GLU( 15 A -37 )
ARG( 15 A -36 )
ASN( 15 A -35 )
ASP( 15 A -34 )
ASN( 15 A -33 )
THR( 15 A -32 )
VAL( 15 A -31 )
ARG( 15 A -30 )
VAL( 15 A -29 )
SER( 15 A -28 )
LYS( 15 A -27 )
THR( 15 A -26 )
LEU( 15 A -25 )
GLN( 15 A -24 )
ARG( 15 A -23 )
PHE( 15 A -22 )
ALA( 15 A -21 )
TRP( 15 A -20 )
GLY( 15 A -19 )
SER( 15 A -18 )
SER( 15 A -17 )
ASN( 15 A -16 )
GLU( 15 A -15 )
ASN( 15 A -14 )
GLY( 15 A -13 )
ARG( 15 A -12 )
PRO( 15 A -11 )
PRO( 15 A -10 )
LEU( 15 A -9 )
THR( 15 A -8 )
LEU( 15 A -7 )
GLU( 15 A -6 )
HIS( 15 A -5 )
HIS( 15 A -4 )
HIS( 15 A -3 )
HIS( 15 A -2 )
HIS( 15 A -1 )
HIS( 15 A 0 )
MET( 16 A-139 )
PRO( 16 A-138 )
ALA( 16 A-137 )
SER( 16 A-136 )
ARG( 16 A-135 )
TYR( 16 A-134 )
ILE( 16 A-133 )
THR( 16 A-132 )
ASP( 16 A-131 )
MET( 16 A-130 )
THR( 16 A-129 )
ILE( 16 A-128 )
GLU( 16 A-127 )
GLU( 16 A-126 )
LEU( 16 A-125 )
SER( 16 A-124 )
ARG( 16 A-123 )
ASP( 16 A-122 )
TRP( 16 A-121 )
PHE( 16 A-120 )
MET( 16 A-119 )
LEU( 16 A-118 )
MET( 16 A-117 )
PRO( 16 A-116 )
LYS( 16 A-115 )
GLN( 16 A-114 )
LYS( 16 A-113 )
VAL( 16 A-112 )
GLU( 16 A-111 )
GLY( 16 A-110 )
PRO( 16 A-109 )
LEU( 16 A-108 )
CYS( 16 A-107 )
ILE( 16 A-106 )
ARG( 16 A-105 )
ILE( 16 A-104 )
ASP( 16 A-103 )
GLN( 16 A-102 )
ALA( 16 A-101 )
ILE( 16 A-100 )
MET( 16 A -99 )
ASP( 16 A -98 )
LYS( 16 A -97 )
ASN( 16 A -96 )
ILE( 16 A -95 )
MET( 16 A -94 )
LEU( 16 A -93 )
LYS( 16 A -92 )
ALA( 16 A -91 )
ASN( 16 A -90 )
PHE( 16 A -89 )
SER( 16 A -88 )
VAL( 16 A -87 )
ILE( 16 A -86 )
PHE( 16 A -85 )
ASP( 16 A -84 )
ARG( 16 A -83 )
LEU( 16 A -82 )
GLU( 16 A -81 )
THR( 16 A -80 )
LEU( 16 A -79 )
ILE( 16 A -78 )
LEU( 16 A -77 )
LEU( 16 A -76 )
ARG( 16 A -75 )
ALA( 16 A -74 )
PHE( 16 A -73 )
THR( 16 A -72 )
GLU( 16 A -71 )
GLU( 16 A -70 )
GLY( 16 A -69 )
ALA( 16 A -68 )
ILE( 16 A -67 )
VAL( 16 A -66 )
GLY( 16 A -65 )
GLU( 16 A -64 )
ILE( 16 A -63 )
SER( 16 A -62 )
PRO( 16 A -61 )
LEU( 16 A -60 )
PRO( 16 A -59 )
SER( 16 A -58 )
PHE( 16 A -57 )
PRO( 16 A -56 )
GLY( 16 A -55 )
HIS( 16 A -54 )
THR( 16 A -53 )
ILE( 16 A -52 )
GLU( 16 A -51 )
ASP( 16 A -50 )
VAL( 16 A -49 )
LYS( 16 A -48 )
ASN( 16 A -47 )
ALA( 16 A -46 )
ILE( 16 A -45 )
GLY( 16 A -44 )
VAL( 16 A -43 )
LEU( 16 A -42 )
ILE( 16 A -41 )
GLY( 16 A -40 )
GLY( 16 A -39 )
LEU( 16 A -38 )
GLU( 16 A -37 )
ARG( 16 A -36 )
ASN( 16 A -35 )
ASP( 16 A -34 )
ASN( 16 A -33 )
THR( 16 A -32 )
VAL( 16 A -31 )
ARG( 16 A -30 )
VAL( 16 A -29 )
SER( 16 A -28 )
LYS( 16 A -27 )
THR( 16 A -26 )
LEU( 16 A -25 )
GLN( 16 A -24 )
ARG( 16 A -23 )
PHE( 16 A -22 )
ALA( 16 A -21 )
TRP( 16 A -20 )
GLY( 16 A -19 )
SER( 16 A -18 )
SER( 16 A -17 )
ASN( 16 A -16 )
GLU( 16 A -15 )
ASN( 16 A -14 )
GLY( 16 A -13 )
ARG( 16 A -12 )
PRO( 16 A -11 )
PRO( 16 A -10 )
LEU( 16 A -9 )
THR( 16 A -8 )
LEU( 16 A -7 )
GLU( 16 A -6 )
HIS( 16 A -5 )
HIS( 16 A -4 )
HIS( 16 A -3 )
HIS( 16 A -2 )
HIS( 16 A -1 )
HIS( 16 A 0 )
MET( 17 A-139 )
PRO( 17 A-138 )
ALA( 17 A-137 )
SER( 17 A-136 )
ARG( 17 A-135 )
TYR( 17 A-134 )
ILE( 17 A-133 )
THR( 17 A-132 )
ASP( 17 A-131 )
MET( 17 A-130 )
THR( 17 A-129 )
ILE( 17 A-128 )
GLU( 17 A-127 )
GLU( 17 A-126 )
LEU( 17 A-125 )
SER( 17 A-124 )
ARG( 17 A-123 )
ASP( 17 A-122 )
TRP( 17 A-121 )
PHE( 17 A-120 )
MET( 17 A-119 )
LEU( 17 A-118 )
MET( 17 A-117 )
PRO( 17 A-116 )
LYS( 17 A-115 )
GLN( 17 A-114 )
LYS( 17 A-113 )
VAL( 17 A-112 )
GLU( 17 A-111 )
GLY( 17 A-110 )
PRO( 17 A-109 )
LEU( 17 A-108 )
CYS( 17 A-107 )
ILE( 17 A-106 )
ARG( 17 A-105 )
ILE( 17 A-104 )
ASP( 17 A-103 )
GLN( 17 A-102 )
ALA( 17 A-101 )
ILE( 17 A-100 )
MET( 17 A -99 )
ASP( 17 A -98 )
LYS( 17 A -97 )
ASN( 17 A -96 )
ILE( 17 A -95 )
MET( 17 A -94 )
LEU( 17 A -93 )
LYS( 17 A -92 )
ALA( 17 A -91 )
ASN( 17 A -90 )
PHE( 17 A -89 )
SER( 17 A -88 )
VAL( 17 A -87 )
ILE( 17 A -86 )
PHE( 17 A -85 )
ASP( 17 A -84 )
ARG( 17 A -83 )
LEU( 17 A -82 )
GLU( 17 A -81 )
THR( 17 A -80 )
LEU( 17 A -79 )
ILE( 17 A -78 )
LEU( 17 A -77 )
LEU( 17 A -76 )
ARG( 17 A -75 )
ALA( 17 A -74 )
PHE( 17 A -73 )
THR( 17 A -72 )
GLU( 17 A -71 )
GLU( 17 A -70 )
GLY( 17 A -69 )
ALA( 17 A -68 )
ILE( 17 A -67 )
VAL( 17 A -66 )
GLY( 17 A -65 )
GLU( 17 A -64 )
ILE( 17 A -63 )
SER( 17 A -62 )
PRO( 17 A -61 )
LEU( 17 A -60 )
PRO( 17 A -59 )
SER( 17 A -58 )
PHE( 17 A -57 )
PRO( 17 A -56 )
GLY( 17 A -55 )
HIS( 17 A -54 )
THR( 17 A -53 )
ILE( 17 A -52 )
GLU( 17 A -51 )
ASP( 17 A -50 )
VAL( 17 A -49 )
LYS( 17 A -48 )
ASN( 17 A -47 )
ALA( 17 A -46 )
ILE( 17 A -45 )
GLY( 17 A -44 )
VAL( 17 A -43 )
LEU( 17 A -42 )
ILE( 17 A -41 )
GLY( 17 A -40 )
GLY( 17 A -39 )
LEU( 17 A -38 )
GLU( 17 A -37 )
ARG( 17 A -36 )
ASN( 17 A -35 )
ASP( 17 A -34 )
ASN( 17 A -33 )
THR( 17 A -32 )
VAL( 17 A -31 )
ARG( 17 A -30 )
VAL( 17 A -29 )
SER( 17 A -28 )
LYS( 17 A -27 )
THR( 17 A -26 )
LEU( 17 A -25 )
GLN( 17 A -24 )
ARG( 17 A -23 )
PHE( 17 A -22 )
ALA( 17 A -21 )
TRP( 17 A -20 )
GLY( 17 A -19 )
SER( 17 A -18 )
SER( 17 A -17 )
ASN( 17 A -16 )
GLU( 17 A -15 )
ASN( 17 A -14 )
GLY( 17 A -13 )
ARG( 17 A -12 )
PRO( 17 A -11 )
PRO( 17 A -10 )
LEU( 17 A -9 )
THR( 17 A -8 )
LEU( 17 A -7 )
GLU( 17 A -6 )
HIS( 17 A -5 )
HIS( 17 A -4 )
HIS( 17 A -3 )
HIS( 17 A -2 )
HIS( 17 A -1 )
HIS( 17 A 0 )
MET( 18 A-139 )
PRO( 18 A-138 )
ALA( 18 A-137 )
SER( 18 A-136 )
ARG( 18 A-135 )
TYR( 18 A-134 )
ILE( 18 A-133 )
THR( 18 A-132 )
ASP( 18 A-131 )
MET( 18 A-130 )
THR( 18 A-129 )
ILE( 18 A-128 )
GLU( 18 A-127 )
GLU( 18 A-126 )
LEU( 18 A-125 )
SER( 18 A-124 )
ARG( 18 A-123 )
ASP( 18 A-122 )
TRP( 18 A-121 )
PHE( 18 A-120 )
MET( 18 A-119 )
LEU( 18 A-118 )
MET( 18 A-117 )
PRO( 18 A-116 )
LYS( 18 A-115 )
GLN( 18 A-114 )
LYS( 18 A-113 )
VAL( 18 A-112 )
GLU( 18 A-111 )
GLY( 18 A-110 )
PRO( 18 A-109 )
LEU( 18 A-108 )
CYS( 18 A-107 )
ILE( 18 A-106 )
ARG( 18 A-105 )
ILE( 18 A-104 )
ASP( 18 A-103 )
GLN( 18 A-102 )
ALA( 18 A-101 )
ILE( 18 A-100 )
MET( 18 A -99 )
ASP( 18 A -98 )
LYS( 18 A -97 )
ASN( 18 A -96 )
ILE( 18 A -95 )
MET( 18 A -94 )
LEU( 18 A -93 )
LYS( 18 A -92 )
ALA( 18 A -91 )
ASN( 18 A -90 )
PHE( 18 A -89 )
SER( 18 A -88 )
VAL( 18 A -87 )
ILE( 18 A -86 )
PHE( 18 A -85 )
ASP( 18 A -84 )
ARG( 18 A -83 )
LEU( 18 A -82 )
GLU( 18 A -81 )
THR( 18 A -80 )
LEU( 18 A -79 )
ILE( 18 A -78 )
LEU( 18 A -77 )
LEU( 18 A -76 )
ARG( 18 A -75 )
ALA( 18 A -74 )
PHE( 18 A -73 )
THR( 18 A -72 )
GLU( 18 A -71 )
GLU( 18 A -70 )
GLY( 18 A -69 )
ALA( 18 A -68 )
ILE( 18 A -67 )
VAL( 18 A -66 )
GLY( 18 A -65 )
GLU( 18 A -64 )
ILE( 18 A -63 )
SER( 18 A -62 )
PRO( 18 A -61 )
LEU( 18 A -60 )
PRO( 18 A -59 )
SER( 18 A -58 )
PHE( 18 A -57 )
PRO( 18 A -56 )
GLY( 18 A -55 )
HIS( 18 A -54 )
THR( 18 A -53 )
ILE( 18 A -52 )
GLU( 18 A -51 )
ASP( 18 A -50 )
VAL( 18 A -49 )
LYS( 18 A -48 )
ASN( 18 A -47 )
ALA( 18 A -46 )
ILE( 18 A -45 )
GLY( 18 A -44 )
VAL( 18 A -43 )
LEU( 18 A -42 )
ILE( 18 A -41 )
GLY( 18 A -40 )
GLY( 18 A -39 )
LEU( 18 A -38 )
GLU( 18 A -37 )
ARG( 18 A -36 )
ASN( 18 A -35 )
ASP( 18 A -34 )
ASN( 18 A -33 )
THR( 18 A -32 )
VAL( 18 A -31 )
ARG( 18 A -30 )
VAL( 18 A -29 )
SER( 18 A -28 )
LYS( 18 A -27 )
THR( 18 A -26 )
LEU( 18 A -25 )
GLN( 18 A -24 )
ARG( 18 A -23 )
PHE( 18 A -22 )
ALA( 18 A -21 )
TRP( 18 A -20 )
GLY( 18 A -19 )
SER( 18 A -18 )
SER( 18 A -17 )
ASN( 18 A -16 )
GLU( 18 A -15 )
ASN( 18 A -14 )
GLY( 18 A -13 )
ARG( 18 A -12 )
PRO( 18 A -11 )
PRO( 18 A -10 )
LEU( 18 A -9 )
THR( 18 A -8 )
LEU( 18 A -7 )
GLU( 18 A -6 )
HIS( 18 A -5 )
HIS( 18 A -4 )
HIS( 18 A -3 )
HIS( 18 A -2 )
HIS( 18 A -1 )
HIS( 18 A 0 )
MET( 19 A-139 )
PRO( 19 A-138 )
ALA( 19 A-137 )
SER( 19 A-136 )
ARG( 19 A-135 )
TYR( 19 A-134 )
ILE( 19 A-133 )
THR( 19 A-132 )
ASP( 19 A-131 )
MET( 19 A-130 )
THR( 19 A-129 )
ILE( 19 A-128 )
GLU( 19 A-127 )
GLU( 19 A-126 )
LEU( 19 A-125 )
SER( 19 A-124 )
ARG( 19 A-123 )
ASP( 19 A-122 )
TRP( 19 A-121 )
PHE( 19 A-120 )
MET( 19 A-119 )
LEU( 19 A-118 )
MET( 19 A-117 )
PRO( 19 A-116 )
LYS( 19 A-115 )
GLN( 19 A-114 )
LYS( 19 A-113 )
VAL( 19 A-112 )
GLU( 19 A-111 )
GLY( 19 A-110 )
PRO( 19 A-109 )
LEU( 19 A-108 )
CYS( 19 A-107 )
ILE( 19 A-106 )
ARG( 19 A-105 )
ILE( 19 A-104 )
ASP( 19 A-103 )
GLN( 19 A-102 )
ALA( 19 A-101 )
ILE( 19 A-100 )
MET( 19 A -99 )
ASP( 19 A -98 )
LYS( 19 A -97 )
ASN( 19 A -96 )
ILE( 19 A -95 )
MET( 19 A -94 )
LEU( 19 A -93 )
LYS( 19 A -92 )
ALA( 19 A -91 )
ASN( 19 A -90 )
PHE( 19 A -89 )
SER( 19 A -88 )
VAL( 19 A -87 )
ILE( 19 A -86 )
PHE( 19 A -85 )
ASP( 19 A -84 )
ARG( 19 A -83 )
LEU( 19 A -82 )
GLU( 19 A -81 )
THR( 19 A -80 )
LEU( 19 A -79 )
ILE( 19 A -78 )
LEU( 19 A -77 )
LEU( 19 A -76 )
ARG( 19 A -75 )
ALA( 19 A -74 )
PHE( 19 A -73 )
THR( 19 A -72 )
GLU( 19 A -71 )
GLU( 19 A -70 )
GLY( 19 A -69 )
ALA( 19 A -68 )
ILE( 19 A -67 )
VAL( 19 A -66 )
GLY( 19 A -65 )
GLU( 19 A -64 )
ILE( 19 A -63 )
SER( 19 A -62 )
PRO( 19 A -61 )
LEU( 19 A -60 )
PRO( 19 A -59 )
SER( 19 A -58 )
PHE( 19 A -57 )
PRO( 19 A -56 )
GLY( 19 A -55 )
HIS( 19 A -54 )
THR( 19 A -53 )
ILE( 19 A -52 )
GLU( 19 A -51 )
ASP( 19 A -50 )
VAL( 19 A -49 )
LYS( 19 A -48 )
ASN( 19 A -47 )
ALA( 19 A -46 )
ILE( 19 A -45 )
GLY( 19 A -44 )
VAL( 19 A -43 )
LEU( 19 A -42 )
ILE( 19 A -41 )
GLY( 19 A -40 )
GLY( 19 A -39 )
LEU( 19 A -38 )
GLU( 19 A -37 )
ARG( 19 A -36 )
ASN( 19 A -35 )
ASP( 19 A -34 )
ASN( 19 A -33 )
THR( 19 A -32 )
VAL( 19 A -31 )
ARG( 19 A -30 )
VAL( 19 A -29 )
SER( 19 A -28 )
LYS( 19 A -27 )
THR( 19 A -26 )
LEU( 19 A -25 )
GLN( 19 A -24 )
ARG( 19 A -23 )
PHE( 19 A -22 )
ALA( 19 A -21 )
TRP( 19 A -20 )
GLY( 19 A -19 )
SER( 19 A -18 )
SER( 19 A -17 )
ASN( 19 A -16 )
GLU( 19 A -15 )
ASN( 19 A -14 )
GLY( 19 A -13 )
ARG( 19 A -12 )
PRO( 19 A -11 )
PRO( 19 A -10 )
LEU( 19 A -9 )
THR( 19 A -8 )
LEU( 19 A -7 )
GLU( 19 A -6 )
HIS( 19 A -5 )
HIS( 19 A -4 )
HIS( 19 A -3 )
HIS( 19 A -2 )
HIS( 19 A -1 )
HIS( 19 A 0 )
MET( 20 A-139 )
PRO( 20 A-138 )
ALA( 20 A-137 )
SER( 20 A-136 )
ARG( 20 A-135 )
TYR( 20 A-134 )
ILE( 20 A-133 )
THR( 20 A-132 )
ASP( 20 A-131 )
MET( 20 A-130 )
THR( 20 A-129 )
ILE( 20 A-128 )
GLU( 20 A-127 )
GLU( 20 A-126 )
LEU( 20 A-125 )
SER( 20 A-124 )
ARG( 20 A-123 )
ASP( 20 A-122 )
TRP( 20 A-121 )
PHE( 20 A-120 )
MET( 20 A-119 )
LEU( 20 A-118 )
MET( 20 A-117 )
PRO( 20 A-116 )
LYS( 20 A-115 )
GLN( 20 A-114 )
LYS( 20 A-113 )
VAL( 20 A-112 )
GLU( 20 A-111 )
GLY( 20 A-110 )
PRO( 20 A-109 )
LEU( 20 A-108 )
CYS( 20 A-107 )
ILE( 20 A-106 )
ARG( 20 A-105 )
ILE( 20 A-104 )
ASP( 20 A-103 )
GLN( 20 A-102 )
ALA( 20 A-101 )
ILE( 20 A-100 )
MET( 20 A -99 )
ASP( 20 A -98 )
LYS( 20 A -97 )
ASN( 20 A -96 )
ILE( 20 A -95 )
MET( 20 A -94 )
LEU( 20 A -93 )
LYS( 20 A -92 )
ALA( 20 A -91 )
ASN( 20 A -90 )
PHE( 20 A -89 )
SER( 20 A -88 )
VAL( 20 A -87 )
ILE( 20 A -86 )
PHE( 20 A -85 )
ASP( 20 A -84 )
ARG( 20 A -83 )
LEU( 20 A -82 )
GLU( 20 A -81 )
THR( 20 A -80 )
LEU( 20 A -79 )
ILE( 20 A -78 )
LEU( 20 A -77 )
LEU( 20 A -76 )
ARG( 20 A -75 )
ALA( 20 A -74 )
PHE( 20 A -73 )
THR( 20 A -72 )
GLU( 20 A -71 )
GLU( 20 A -70 )
GLY( 20 A -69 )
ALA( 20 A -68 )
ILE( 20 A -67 )
VAL( 20 A -66 )
GLY( 20 A -65 )
GLU( 20 A -64 )
ILE( 20 A -63 )
SER( 20 A -62 )
PRO( 20 A -61 )
LEU( 20 A -60 )
PRO( 20 A -59 )
SER( 20 A -58 )
PHE( 20 A -57 )
PRO( 20 A -56 )
GLY( 20 A -55 )
HIS( 20 A -54 )
THR( 20 A -53 )
ILE( 20 A -52 )
GLU( 20 A -51 )
ASP( 20 A -50 )
VAL( 20 A -49 )
LYS( 20 A -48 )
ASN( 20 A -47 )
ALA( 20 A -46 )
ILE( 20 A -45 )
GLY( 20 A -44 )
VAL( 20 A -43 )
LEU( 20 A -42 )
ILE( 20 A -41 )
GLY( 20 A -40 )
GLY( 20 A -39 )
LEU( 20 A -38 )
GLU( 20 A -37 )
ARG( 20 A -36 )
ASN( 20 A -35 )
ASP( 20 A -34 )
ASN( 20 A -33 )
THR( 20 A -32 )
VAL( 20 A -31 )
ARG( 20 A -30 )
VAL( 20 A -29 )
SER( 20 A -28 )
LYS( 20 A -27 )
THR( 20 A -26 )
LEU( 20 A -25 )
GLN( 20 A -24 )
ARG( 20 A -23 )
PHE( 20 A -22 )
ALA( 20 A -21 )
TRP( 20 A -20 )
GLY( 20 A -19 )
SER( 20 A -18 )
SER( 20 A -17 )
ASN( 20 A -16 )
GLU( 20 A -15 )
ASN( 20 A -14 )
GLY( 20 A -13 )
ARG( 20 A -12 )
PRO( 20 A -11 )
PRO( 20 A -10 )
LEU( 20 A -9 )
THR( 20 A -8 )
LEU( 20 A -7 )
GLU( 20 A -6 )
HIS( 20 A -5 )
HIS( 20 A -4 )
HIS( 20 A -3 )
HIS( 20 A -2 )
HIS( 20 A -1 )
HIS( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET PRO ALA SER ARG TYR ILE THR ASP MET THR ILE GLU GLU LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: SER ARG ASP TRP PHE MET LEU MET PRO LYS GLN LYS VAL GLU GLY
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: PRO LEU CYS ILE ARG ILE ASP GLN ALA ILE MET ASP LYS ASN ILE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: MET LEU LYS ALA ASN PHE SER VAL ILE PHE ASP ARG LEU GLU THR
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: LEU ILE LEU LEU ARG ALA PHE THR GLU GLU GLY ALA ILE VAL GLY
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: GLU ILE SER PRO LEU PRO SER PHE PRO GLY HIS THR ILE GLU ASP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: VAL LYS ASN ALA ILE GLY VAL LEU ILE GLY GLY LEU GLU ARG ASN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
106 120
SEQRES: ASP ASN THR VAL ARG VAL SER LYS THR LEU GLN ARG PHE ALA TRP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
121 135
SEQRES: GLY SER SER ASN GLU ASN GLY ARG PRO PRO LEU THR LEU GLU HIS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
136 150
SEQRES: HIS HIS HIS HIS HIS MET PRO ALA SER ARG TYR ILE THR ASP MET
COORDS: ... ... ... ... ... MET PRO ALA SER ARG TYR ILE THR ASP MET
1 10
151 165
SEQRES: THR ILE GLU GLU LEU SER ARG ASP TRP PHE MET LEU MET PRO LYS
COORDS: THR ILE GLU GLU LEU SER ARG ASP TRP PHE MET LEU MET PRO LYS
11 25
166 180
SEQRES: GLN LYS VAL GLU GLY PRO LEU CYS ILE ARG ILE ASP GLN ALA ILE
COORDS: GLN LYS VAL GLU GLY PRO LEU CYS ILE ARG ILE ASP GLN ALA ILE
26 40
181 195
SEQRES: MET ASP LYS ASN ILE MET LEU LYS ALA ASN PHE SER VAL ILE PHE
COORDS: MET ASP LYS ASN ILE MET LEU LYS ALA ASN PHE SER VAL ILE PHE
41 55
196 210
SEQRES: ASP ARG LEU GLU THR LEU ILE LEU LEU ARG ALA PHE THR GLU GLU
COORDS: ASP ARG LEU GLU THR LEU ILE LEU LEU ARG ALA PHE THR GLU GLU
56 70
211 225
SEQRES: GLY ALA ILE VAL GLY GLU ILE SER PRO LEU PRO SER PHE PRO GLY
COORDS: GLY ALA ILE VAL GLY GLU ILE SER PRO LEU PRO SER PHE PRO GLY
71 85
226 240
SEQRES: HIS THR ILE GLU ASP VAL LYS ASN ALA ILE GLY VAL LEU ILE GLY
COORDS: HIS THR ILE GLU ASP VAL LYS ASN ALA ILE GLY VAL LEU ILE GLY
86 100
241 255
SEQRES: GLY LEU GLU ARG ASN ASP ASN THR VAL ARG VAL SER LYS THR LEU
COORDS: GLY LEU GLU ARG ASN ASP ASN THR VAL ARG VAL SER LYS THR LEU
101 115
256 270
SEQRES: GLN ARG PHE ALA TRP GLY SER SER ASN GLU ASN GLY ARG PRO PRO
COORDS: GLN ARG PHE ALA TRP GLY SER SER ASN GLU ASN GLY ARG PRO PRO
116 130
271 274
SEQRES: LEU THR LEU GLU
COORDS: LEU THR LEU GLU
131 134
==> 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
CHECK TERMINAL ATOMS
--------------------
Terminal atom(s) showed in middle of sequence will be deleted:
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: THR CHNID: A SSEQ: 94) in Token 'HELIX' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: SER CHNID: A SSEQ: 99) in Token 'HELIX' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: THR CHNID: A SSEQ: 170) in Token 'HELIX' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: ASN CHNID: A SSEQ: 188) in Token 'HELIX' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: SER CHNID: A SSEQ: 195) in Token 'HELIX' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: ALA CHNID: A SSEQ: 202) in Token 'HELIX' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: ARG CHNID: A SSEQ: 88) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: THR CHNID: A SSEQ: 91) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: ASN CHNID: A SSEQ: 127) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: ILE CHNID: A SSEQ: 137) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: PHE CHNID: A SSEQ: 134) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: ILE CHNID: A SSEQ: 90) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: ARG CHNID: A SSEQ: 140) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: THR CHNID: A SSEQ: 151) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: ARG CHNID: A SSEQ: 148) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: LYS CHNID: A SSEQ: 131) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: ILE CHNID: A SSEQ: 156) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: PRO CHNID: A SSEQ: 162) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: ILE CHNID: A SSEQ: 160) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: LEU CHNID: A SSEQ: 147) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: ASP CHNID: A SSEQ: 120) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: ARG CHNID: A SSEQ: 118) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: GLU CHNID: A SSEQ: 159) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: PRO CHNID: A SSEQ: 107) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: GLU CHNID: A SSEQ: 112) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: LYS CHNID: A SSEQ: 108) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: ILE CHNID: A SSEQ: 119) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: ARG CHNID: A SSEQ: 88) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: THR CHNID: A SSEQ: 91) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: ASN CHNID: A SSEQ: 127) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: ILE CHNID: A SSEQ: 137) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: PHE CHNID: A SSEQ: 134) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: ILE CHNID: A SSEQ: 90) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: THR CHNID: A SSEQ: 191) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (RES: VAL CHNID: A SSEQ: 194) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: ARG CHNID: A SSEQ: 193) in Token 'SHEET' can not be found in coordinates
OR8C_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: LEU CHNID: A SSEQ: 130) in Token 'SHEET' can not be found in coordinates