Detailed results of HR5546A_NMR_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1499
# INTRA-RESIDUE RESTRAINTS (I=J) : 201
# SEQUENTIAL RESTRAINTS (I-J)=1 : 471
# BACKBONE-BACKBONE : 107
# BACKBONE-SIDE CHAIN : 51
# SIDE CHAIN-SIDE CHAIN : 313
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 175
# BACKBONE-BACKBONE : 36
# BACKBONE-SIDE CHAIN : 9
# SIDE CHAIN-SIDE CHAIN : 130
# LONG RANGE RESTRAINTS (I-J)>=5 : 652
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1499
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 0.0 0.0 0.0 0.0 0.0
GLY 2 0 0.0 0.0 0.0 0.0 0.0
HIS 3 0 0.0 0.0 0.0 0.0 0.0
HIS 4 0 0.0 0.0 0.0 0.0 0.0
HIS 5 0 0.0 0.0 0.0 0.0 0.0
HIS 6 0 0.0 0.0 0.0 0.0 0.0
HIS 7 0 0.0 0.0 0.0 0.0 0.0
HIS 8 0 1.5 1.5 0.0 0.0 0.0
SER 9 0 3.0 3.0 0.0 0.0 0.0
HIS 10 0 2.0 2.0 0.0 0.0 0.0
MET 11 1 2.5 2.0 0.5 0.0 0.0
THR 12 1 2.5 2.5 0.0 0.0 0.0
GLY 13 0 1.5 1.0 0.5 0.0 0.0
ASN 14 2 5.5 2.5 0.0 3.0 0.0
VAL 15 0 13.5 5.5 0.0 8.0 0.0
CYS 16 0 10.0 4.5 0.0 5.5 0.0
ILE 17 3 19.0 2.0 1.0 16.0 0.0
GLU 18 0 9.0 2.0 0.0 7.0 0.0
GLU 19 0 8.0 5.5 1.0 1.5 0.0
ILE 20 3 14.0 6.5 0.0 7.5 0.0
ASP 21 0 12.0 3.5 5.5 3.0 0.0
VAL 22 2 5.5 4.0 1.5 0.0 0.0
ASP 23 0 5.0 3.5 1.5 0.0 0.0
GLY 24 0 8.5 2.0 3.5 3.0 0.0
LYS 25 5 11.0 5.5 4.5 1.0 0.0
PHE 26 5 17.0 6.5 1.0 9.5 0.0
ILE 27 3 17.5 5.5 0.5 11.5 0.0
ARG 28 0 14.5 6.5 0.5 7.5 0.0
LEU 29 2 21.0 5.5 0.5 15.0 0.0
LYS 30 8 18.0 5.5 0.5 12.0 0.0
ASN 31 0 24.0 3.5 1.0 19.5 0.0
THR 32 1 4.0 0.5 0.5 3.0 0.0
SER 33 0 7.5 3.0 1.0 3.5 0.0
GLU 34 2 6.0 4.5 0.0 1.5 0.0
GLN 35 1 7.5 4.5 1.0 2.0 0.0
ASP 36 0 14.5 4.5 0.0 10.0 0.0
GLN 37 2 12.0 5.0 0.0 7.0 0.0
PRO 38 0 11.5 4.5 3.0 4.0 0.0
MET 39 4 9.5 2.5 1.0 6.0 0.0
GLY 40 0 6.5 2.5 3.5 0.5 0.0
GLY 41 0 2.0 2.0 0.0 0.0 0.0
TRP 42 3 9.0 2.5 1.5 5.0 0.0
GLU 43 0 11.0 3.5 3.0 4.5 0.0
MET 44 5 26.0 4.0 0.0 22.0 0.0
ILE 45 5 27.0 5.5 6.0 15.5 0.0
ARG 46 3 18.5 5.5 0.0 13.0 0.0
LYS 47 2 14.0 5.0 3.5 5.5 0.0
ILE 48 4 14.0 5.0 2.0 7.0 0.0
GLY 49 0 3.5 3.0 0.5 0.0 0.0
ASP 50 0 4.0 3.5 0.5 0.0 0.0
THR 51 1 8.5 5.5 3.0 0.0 0.0
SER 52 0 7.0 4.0 0.0 3.0 0.0
VAL 53 3 18.5 5.0 0.5 13.0 0.0
SER 54 0 14.5 4.5 0.0 10.0 0.0
TYR 55 5 24.5 3.0 4.0 17.5 0.0
LYS 56 3 4.5 4.0 0.0 0.5 0.0
TYR 57 4 19.5 5.0 3.5 11.0 0.0
THR 58 1 9.0 5.5 3.5 0.0 0.0
SER 59 0 4.5 4.0 0.5 0.0 0.0
ARG 60 1 7.5 5.0 2.5 0.0 0.0
TYR 61 5 18.5 9.5 6.0 3.0 0.0
VAL 62 2 21.0 9.0 2.5 9.5 0.0
LEU 63 3 18.5 4.0 7.0 7.5 0.0
LYS 64 10 15.5 4.0 6.5 5.0 0.0
ALA 65 0 19.0 5.0 3.5 10.5 0.0
GLY 66 0 5.0 3.0 0.0 2.0 0.0
GLN 67 7 14.0 2.5 9.5 2.0 0.0
THR 68 1 15.5 3.5 0.0 12.0 0.0
VAL 69 0 17.0 5.5 2.0 9.5 0.0
THR 70 0 14.5 4.5 2.0 8.0 0.0
ILE 71 5 23.5 3.0 2.0 18.5 0.0
TRP 72 3 26.0 5.0 4.0 17.0 0.0
ALA 73 0 15.0 3.5 2.5 9.0 0.0
ALA 74 0 10.0 1.5 1.5 7.0 0.0
ASN 75 2 6.0 1.5 2.5 2.0 0.0
ALA 76 0 9.0 2.0 7.0 0.0 0.0
GLY 77 0 5.0 3.0 2.0 0.0 0.0
VAL 78 2 11.0 4.0 2.5 4.5 0.0
THR 79 1 4.0 4.0 0.0 0.0 0.0
ALA 80 0 6.0 2.5 0.0 3.5 0.0
SER 81 0 3.0 2.5 0.0 0.5 0.0
PRO 82 0 6.5 3.5 2.5 0.5 0.0
PRO 83 0 4.0 4.0 0.0 0.0 0.0
THR 84 1 5.0 3.0 2.0 0.0 0.0
ASP 85 0 10.0 4.0 0.5 5.5 0.0
LEU 86 2 17.0 5.0 0.0 12.0 0.0
ILE 87 5 20.0 5.0 3.0 12.0 0.0
TRP 88 5 33.5 6.0 3.0 24.5 0.0
LYS 89 10 10.0 5.5 3.0 1.5 0.0
ASN 90 2 7.5 4.0 2.5 1.0 0.0
GLN 91 2 13.0 5.0 1.5 6.5 0.0
ASN 92 2 10.0 6.0 0.0 4.0 0.0
SER 93 0 7.0 4.5 0.0 2.5 0.0
TRP 94 1 16.5 4.5 0.0 12.0 0.0
GLY 95 0 4.5 3.0 0.0 1.5 0.0
THR 96 1 3.0 2.0 1.0 0.0 0.0
GLY 97 0 3.0 3.0 0.0 0.0 0.0
GLU 98 1 5.0 4.0 1.0 0.0 0.0
ASP 99 0 4.5 4.5 0.0 0.0 0.0
VAL 100 2 19.0 4.5 0.0 14.5 0.0
LYS 101 3 13.0 5.5 2.0 5.5 0.0
VAL 102 0 22.0 7.0 0.0 15.0 0.0
ILE 103 3 23.0 5.5 4.5 13.0 0.0
LEU 104 3 24.5 4.0 0.0 20.5 0.0
LYS 105 3 18.0 4.5 4.5 9.0 0.0
ASN 106 4 10.5 3.5 2.5 4.5 0.0
SER 107 0 6.5 5.0 0.5 1.0 0.0
GLN 108 3 8.5 5.0 3.5 0.0 0.0
GLY 109 0 6.0 3.0 3.0 0.0 0.0
GLU 110 1 7.5 3.0 3.5 1.0 0.0
GLU 111 0 8.5 3.0 0.0 5.5 0.0
VAL 112 3 13.5 5.5 0.0 8.0 0.0
ALA 113 0 14.0 5.5 0.0 8.5 0.0
GLN 114 4 14.5 3.5 0.0 11.0 0.0
ARG 115 0 15.5 5.5 0.0 10.0 0.0
SER 116 0 12.5 5.0 0.0 7.5 0.0
THR 117 1 11.0 3.5 0.0 7.5 0.0
VAL 118 1 5.5 5.5 0.0 0.0 0.0
PHE 119 4 5.0 5.0 0.0 0.0 0.0
LYS 120 8 4.5 4.5 0.0 0.0 0.0
THR 121 0 4.5 4.5 0.0 0.0 0.0
THR 122 0 1.5 1.5 0.0 0.0 0.0
# TOTAL 201 1298.0 471.0 175.0 652.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1499.0
List of conformationally-resticting NOE constraints
assign ((resid 37 and name HE21 )) ( (resid 38 and name HD1 )) 4.70 3.76 2.35
assign ((resid 111 and name HN )) ( (resid 112 and name HN )) 4.72 3.78 2.36
assign ((resid 119 and name HN )) ( (resid 120 and name HN )) 4.01 3.21 2.01
assign ((resid 106 and name HA )) ( (resid 106 and name HD21 )) 4.44 3.55 2.22
assign ((resid 100 and name HN )) ( (resid 116 and name HA )) 5.45 4.36 2.72
assign ((resid 116 and name HN )) ( (resid 117 and name HN )) 4.62 3.70 2.31
assign ((resid 37 and name HE22 )) ( (resid 38 and name HD2 )) 4.70 3.76 2.35
assign ((resid 39 and name HE* )) ( (resid 42 and name HN )) 5.41 4.33 2.70
assign ((resid 55 and name HD1 )) ( (resid 56 and name HN )) 4.01 3.21 2.01
assign ((resid 72 and name HE3 )) ( (resid 73 and name HN )) 4.17 3.34 2.09
assign ((resid 55 and name HD1 )) ( (resid 89 and name HN )) 4.67 3.74 2.34
assign ((resid 100 and name HN )) ( (resid 100 and name HG1* )) 3.42 2.74 1.71
assign ((resid 88 and name HN )) ( (resid 88 and name HE3 )) 5.05 4.04 2.53
assign ((resid 37 and name HE22 )) ( (resid 38 and name HD1 )) 4.70 3.76 2.35
assign ((resid 17 and name HD1* )) ( (resid 104 and name HN )) 4.04 3.23 2.02
assign ((resid 47 and name HA )) ( (resid 51 and name HN )) 5.19 4.15 2.60
assign ((resid 26 and name HB2 )) ( (resid 71 and name HN )) 4.61 3.69 2.31
assign ((resid 106 and name HA )) ( (resid 106 and name HD22 )) 4.44 3.55 2.22
assign ((resid 71 and name HA )) ( (resid 88 and name HN )) 5.43 4.34 2.71
assign ((resid 75 and name HB1 )) ( (resid 77 and name HN )) 5.13 4.10 2.57
assign ((resid 88 and name HB1 )) ( (resid 88 and name HE1 )) 5.16 4.13 2.58
assign ((resid 8 and name HN )) ( (resid 9 and name HN )) 4.64 3.71 2.32
assign ((resid 14 and name HN )) ( (resid 15 and name HB )) 4.56 3.65 2.28
assign ((resid 18 and name HN )) ( (resid 30 and name HN )) 3.99 3.19 2.00
assign ((resid 20 and name HD1* )) ( (resid 102 and name HN )) 4.07 3.26 2.04
assign ((resid 25 and name HA )) ( (resid 73 and name HN )) 5.50 4.40 2.75
assign ((resid 31 and name HD21 )) ( (resid 37 and name HA )) 5.73 4.58 2.87
assign ((resid 31 and name HD22 )) ( (resid 37 and name HA )) 4.83 3.86 2.41
assign ((resid 106 and name HN )) ( (resid 110 and name HN )) 3.75 3.00 1.88
assign ((resid 94 and name HE1 )) ( (resid 100 and name HG1* )) 3.66 2.93 1.83
assign ((resid 47 and name HN )) ( (resid 102 and name HN )) 5.10 4.08 2.55
assign ((resid 47 and name HN )) ( (resid 103 and name HN )) 4.86 3.89 2.43
assign ((resid 48 and name HD1* )) ( (resid 95 and name HN )) 4.94 3.95 2.47
assign ((resid 57 and name HN )) ( (resid 57 and name HD2 )) 3.39 2.71 1.70
assign ((resid 57 and name HD1 )) ( (resid 58 and name HN )) 4.33 3.46 2.16
assign ((resid 39 and name HN )) ( (resid 62 and name HG2* )) 5.21 4.17 2.61
assign ((resid 65 and name HN )) ( (resid 67 and name HB2 )) 4.65 3.72 2.33
assign ((resid 80 and name HA )) ( (resid 87 and name HN )) 5.83 4.66 2.91
assign ((resid 81 and name HN )) ( (resid 82 and name HD2 )) 3.94 3.15 1.97
assign ((resid 81 and name HN )) ( (resid 82 and name HD1 )) 3.94 3.15 1.97
assign ((resid 72 and name HN )) ( (resid 87 and name HD1* )) 4.07 3.26 2.04
assign ((resid 21 and name HA )) ( (resid 24 and name HN )) 4.58 3.66 2.29
assign ((resid 22 and name HA )) ( (resid 24 and name HN )) 5.00 4.00 2.50
assign ((resid 93 and name HN )) ( (resid 94 and name HN )) 4.89 3.91 2.44
assign ((resid 8 and name HB2 )) ( (resid 9 and name HN )) 5.26 4.21 2.63
assign ((resid 8 and name HB1 )) ( (resid 9 and name HN )) 5.26 4.21 2.63
assign ((resid 9 and name HN )) ( (resid 10 and name HN )) 4.77 3.82 2.38
assign ((resid 10 and name HN )) ( (resid 11 and name HN )) 4.47 3.58 2.23
assign ((resid 11 and name HA )) ( (resid 13 and name HN )) 4.30 3.44 2.15
assign ((resid 11 and name HB2 )) ( (resid 12 and name HN )) 4.44 3.55 2.22
assign ((resid 11 and name HB1 )) ( (resid 12 and name HN )) 3.92 3.14 1.96
assign ((resid 11 and name HN )) ( (resid 12 and name HN )) 4.55 3.64 2.28
assign ((resid 12 and name HG2* )) ( (resid 13 and name HN )) 4.25 3.40 2.12
assign ((resid 12 and name HN )) ( (resid 13 and name HN )) 3.53 2.82 1.76
assign ((resid 14 and name HN )) ( (resid 15 and name HN )) 3.58 2.86 1.79
assign ((resid 14 and name HB1 )) ( (resid 15 and name HN )) 4.78 3.82 2.39
assign ((resid 15 and name HA )) ( (resid 30 and name HN )) 5.06 4.05 2.53
assign ((resid 104 and name HB2 )) ( (resid 112 and name HN )) 3.87 3.10 1.93
assign ((resid 15 and name HG1* )) ( (resid 16 and name HN )) 4.17 3.34 2.09
assign ((resid 30 and name HG2 )) ( (resid 32 and name HN )) 3.97 3.18 1.99
assign ((resid 15 and name HN )) ( (resid 16 and name HN )) 4.61 3.69 2.31
assign ((resid 16 and name HN )) ( (resid 17 and name HN )) 4.62 3.70 2.31
assign ((resid 16 and name HN )) ( (resid 30 and name HN )) 3.81 3.05 1.90
assign ((resid 17 and name HA )) ( (resid 19 and name HN )) 4.39 3.51 2.19
assign ((resid 17 and name HA )) ( (resid 30 and name HN )) 4.53 3.62 2.27
assign ((resid 17 and name HD1* )) ( (resid 115 and name HN )) 3.33 2.66 1.66
assign ((resid 17 and name HG2* )) ( (resid 18 and name HN )) 3.61 2.89 1.80
assign ((resid 17 and name HG2* )) ( (resid 19 and name HN )) 3.57 2.86 1.78
assign ((resid 17 and name HN )) ( (resid 17 and name HD1* )) 3.63 2.90 1.82
assign ((resid 19 and name HN )) ( (resid 28 and name HG2 )) 4.73 3.78 2.37
assign ((resid 18 and name HN )) ( (resid 19 and name HN )) 3.22 2.58 1.61
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 4.39 3.51 2.19
assign ((resid 19 and name HN )) ( (resid 28 and name HN )) 4.49 3.59 2.24
assign ((resid 19 and name HB2 )) ( (resid 20 and name HN )) 4.34 3.47 2.17
assign ((resid 19 and name HB1 )) ( (resid 20 and name HN )) 4.34 3.47 2.17
assign ((resid 26 and name HB2 )) ( (resid 72 and name HN )) 4.60 3.68 2.30
assign ((resid 19 and name HG2 )) ( (resid 20 and name HN )) 3.84 3.07 1.92
assign ((resid 19 and name HG1 )) ( (resid 20 and name HN )) 3.84 3.07 1.92
assign ((resid 20 and name HN )) ( (resid 21 and name HN )) 5.00 4.00 2.50
assign ((resid 20 and name HA )) ( (resid 28 and name HN )) 4.22 3.38 2.11
assign ((resid 20 and name HB )) ( (resid 21 and name HN )) 4.61 3.69 2.31
assign ((resid 20 and name HD1* )) ( (resid 117 and name HN )) 3.95 3.16 1.98
assign ((resid 20 and name HG2* )) ( (resid 21 and name HN )) 3.61 2.89 1.80
assign ((resid 21 and name HN )) ( (resid 26 and name HN )) 4.00 3.20 2.00
assign ((resid 21 and name HN )) ( (resid 25 and name HN )) 5.04 4.03 2.52
assign ((resid 21 and name HB2 )) ( (resid 24 and name HN )) 4.49 3.59 2.24
assign ((resid 21 and name HB2 )) ( (resid 25 and name HN )) 3.92 3.14 1.96
assign ((resid 21 and name HB2 )) ( (resid 26 and name HN )) 3.37 2.70 1.68
assign ((resid 21 and name HB1 )) ( (resid 24 and name HN )) 4.49 3.59 2.24
assign ((resid 21 and name HB1 )) ( (resid 25 and name HN )) 3.92 3.14 1.96
assign ((resid 22 and name HN )) ( (resid 23 and name HN )) 3.37 2.70 1.68
assign ((resid 22 and name HN )) ( (resid 24 and name HN )) 4.56 3.65 2.28
assign ((resid 22 and name HN )) ( (resid 25 and name HN )) 5.83 4.66 2.91
assign ((resid 21 and name HA )) ( (resid 23 and name HN )) 4.07 3.26 2.04
assign ((resid 22 and name HB )) ( (resid 23 and name HN )) 4.18 3.34 2.09
assign ((resid 22 and name HG1* )) ( (resid 23 and name HN )) 3.06 2.45 1.53
assign ((resid 23 and name HN )) ( (resid 24 and name HN )) 3.34 2.67 1.67
assign ((resid 24 and name HA2 )) ( (resid 94 and name HE1 )) 4.23 3.38 2.12
assign ((resid 24 and name HA1 )) ( (resid 94 and name HE1 )) 4.04 3.23 2.02
assign ((resid 23 and name HN )) ( (resid 25 and name HN )) 4.51 3.61 2.26
assign ((resid 24 and name HN )) ( (resid 25 and name HN )) 3.78 3.02 1.89
assign ((resid 25 and name HN )) ( (resid 26 and name HN )) 3.31 2.65 1.65
assign ((resid 24 and name HN )) ( (resid 26 and name HN )) 4.38 3.50 2.19
assign ((resid 26 and name HB2 )) ( (resid 27 and name HN )) 3.85 3.08 1.92
assign ((resid 26 and name HB2 )) ( (resid 73 and name HN )) 4.93 3.94 2.46
assign ((resid 28 and name HB2 )) ( (resid 71 and name HN )) 4.62 3.70 2.31
assign ((resid 21 and name HB1 )) ( (resid 26 and name HN )) 3.37 2.70 1.68
assign ((resid 26 and name HD2 )) ( (resid 27 and name HN )) 4.19 3.35 2.10
assign ((resid 26 and name HD2 )) ( (resid 28 and name HN )) 4.16 3.33 2.08
assign ((resid 26 and name HN )) ( (resid 27 and name HN )) 4.39 3.51 2.19
assign ((resid 21 and name HN )) ( (resid 27 and name HA )) 4.03 3.22 2.02
assign ((resid 27 and name HB )) ( (resid 71 and name HN )) 4.33 3.46 2.16
assign ((resid 27 and name HB )) ( (resid 28 and name HN )) 4.86 3.89 2.43
assign ((resid 20 and name HG2* )) ( (resid 26 and name HN )) 4.96 3.97 2.48
assign ((resid 18 and name HN )) ( (resid 27 and name HG2* )) 5.16 4.13 2.58
assign ((resid 19 and name HN )) ( (resid 27 and name HG2* )) 4.23 3.38 2.12
assign ((resid 27 and name HG2* )) ( (resid 28 and name HN )) 3.34 2.67 1.67
assign ((resid 27 and name HN )) ( (resid 28 and name HN )) 4.46 3.57 2.23
assign ((resid 28 and name HN )) ( (resid 29 and name HN )) 4.53 3.62 2.27
assign ((resid 28 and name HA )) ( (resid 71 and name HN )) 3.88 3.10 1.94
assign ((resid 28 and name HB2 )) ( (resid 29 and name HN )) 4.88 3.90 2.44
assign ((resid 28 and name HG1 )) ( (resid 29 and name HN )) 3.57 2.86 1.78
assign ((resid 29 and name HN )) ( (resid 69 and name HN )) 3.78 3.02 1.89
assign ((resid 29 and name HN )) ( (resid 71 and name HN )) 4.83 3.86 2.41
assign ((resid 18 and name HN )) ( (resid 29 and name HA )) 3.44 2.75 1.72
assign ((resid 28 and name HG2 )) ( (resid 29 and name HN )) 3.89 3.11 1.95
assign ((resid 28 and name HG2 )) ( (resid 69 and name HN )) 5.04 4.03 2.52
assign ((resid 29 and name HG )) ( (resid 30 and name HN )) 3.73 2.98 1.87
assign ((resid 28 and name HN )) ( (resid 29 and name HD1* )) 4.77 3.82 2.38
assign ((resid 29 and name HD1* )) ( (resid 30 and name HN )) 3.99 3.19 2.00
assign ((resid 29 and name HN )) ( (resid 30 and name HN )) 4.48 3.58 2.24
assign ((resid 30 and name HB2 )) ( (resid 31 and name HN )) 4.30 3.44 2.15
assign ((resid 30 and name HG2 )) ( (resid 31 and name HN )) 3.62 2.90 1.81
assign ((resid 91 and name HG2 )) ( (resid 92 and name HN )) 4.26 3.41 2.13
assign ((resid 30 and name HG1 )) ( (resid 31 and name HN )) 3.71 2.97 1.86
assign ((resid 91 and name HG1 )) ( (resid 92 and name HN )) 4.26 3.41 2.13
assign ((resid 30 and name HN )) ( (resid 31 and name HN )) 4.51 3.61 2.26
assign ((resid 16 and name HN )) ( (resid 31 and name HA )) 3.74 2.99 1.87
assign ((resid 31 and name HA )) ( (resid 33 and name HN )) 4.27 3.42 2.13
assign ((resid 31 and name HD21 )) ( (resid 37 and name HN )) 3.74 2.99 1.87
assign ((resid 16 and name HN )) ( (resid 32 and name HN )) 4.57 3.66 2.29
assign ((resid 32 and name HA )) ( (resid 66 and name HN )) 4.46 3.57 2.23
assign ((resid 16 and name HN )) ( (resid 32 and name HG2* )) 4.79 3.83 2.39
assign ((resid 32 and name HG2* )) ( (resid 33 and name HN )) 4.36 3.49 2.18
assign ((resid 33 and name HN )) ( (resid 34 and name HN )) 4.64 3.71 2.32
assign ((resid 33 and name HN )) ( (resid 66 and name HN )) 4.49 3.59 2.24
assign ((resid 33 and name HB2 )) ( (resid 34 and name HN )) 3.73 2.98 1.87
assign ((resid 33 and name HB1 )) ( (resid 34 and name HN )) 3.73 2.98 1.87
assign ((resid 34 and name HN )) ( (resid 35 and name HN )) 3.30 2.64 1.65
assign ((resid 34 and name HB2 )) ( (resid 35 and name HN )) 3.55 2.84 1.77
assign ((resid 34 and name HN )) ( (resid 34 and name HG1 )) 3.25 2.60 1.62
assign ((resid 34 and name HB1 )) ( (resid 35 and name HN )) 4.56 3.65 2.28
assign ((resid 34 and name HG1 )) ( (resid 35 and name HN )) 4.90 3.92 2.45
assign ((resid 35 and name HN )) ( (resid 36 and name HN )) 4.93 3.94 2.46
assign ((resid 36 and name HN )) ( (resid 37 and name HN )) 4.69 3.75 2.35
assign ((resid 36 and name HN )) ( (resid 65 and name HN )) 4.32 3.46 2.16
assign ((resid 31 and name HD21 )) ( (resid 36 and name HA )) 4.14 3.31 2.07
assign ((resid 31 and name HD22 )) ( (resid 36 and name HA )) 4.33 3.46 2.16
assign ((resid 36 and name HA )) ( (resid 65 and name HN )) 3.35 2.68 1.67
assign ((resid 36 and name HB1 )) ( (resid 37 and name HN )) 3.85 3.08 1.92
assign ((resid 36 and name HB1 )) ( (resid 65 and name HN )) 4.66 3.73 2.33
assign ((resid 36 and name HB2 )) ( (resid 37 and name HN )) 4.11 3.29 2.06
assign ((resid 37 and name HN )) ( (resid 63 and name HN )) 4.61 3.69 2.31
assign ((resid 37 and name HA )) ( (resid 37 and name HE21 )) 4.53 3.62 2.27
assign ((resid 37 and name HA )) ( (resid 37 and name HE22 )) 4.53 3.62 2.27
assign ((resid 38 and name HA )) ( (resid 62 and name HN )) 5.26 4.21 2.63
assign ((resid 38 and name HA )) ( (resid 63 and name HN )) 3.84 3.07 1.92
assign ((resid 38 and name HB2 )) ( (resid 39 and name HN )) 4.31 3.45 2.15
assign ((resid 38 and name HB2 )) ( (resid 40 and name HN )) 4.37 3.50 2.18
assign ((resid 38 and name HB1 )) ( (resid 39 and name HN )) 4.31 3.45 2.15
assign ((resid 38 and name HB1 )) ( (resid 40 and name HN )) 4.37 3.50 2.18
assign ((resid 39 and name HN )) ( (resid 40 and name HN )) 3.29 2.63 1.64
assign ((resid 39 and name HN )) ( (resid 63 and name HN )) 4.77 3.82 2.38
assign ((resid 30 and name HB1 )) ( (resid 31 and name HN )) 4.30 3.44 2.15
assign ((resid 39 and name HN )) ( (resid 62 and name HG1* )) 5.21 4.17 2.61
assign ((resid 39 and name HG1 )) ( (resid 40 and name HN )) 4.96 3.97 2.48
assign ((resid 40 and name HA1 )) ( (resid 42 and name HN )) 4.46 3.57 2.23
assign ((resid 41 and name HN )) ( (resid 42 and name HN )) 3.50 2.80 1.75
assign ((resid 42 and name HN )) ( (resid 42 and name HE1 )) 4.78 3.82 2.39
assign ((resid 42 and name HA )) ( (resid 107 and name HN )) 4.32 3.46 2.16
assign ((resid 42 and name HB1 )) ( (resid 43 and name HN )) 4.14 3.31 2.07
assign ((resid 42 and name HN )) ( (resid 42 and name HD1 )) 3.31 2.65 1.65
assign ((resid 42 and name HN )) ( (resid 43 and name HN )) 4.69 3.75 2.35
assign ((resid 43 and name HB1 )) ( (resid 105 and name HN )) 4.10 3.28 2.05
assign ((resid 104 and name HB2 )) ( (resid 105 and name HN )) 4.68 3.74 2.34
assign ((resid 43 and name HG2 )) ( (resid 44 and name HN )) 3.98 3.18 1.99
assign ((resid 44 and name HN )) ( (resid 55 and name HN )) 3.72 2.98 1.86
assign ((resid 43 and name HN )) ( (resid 105 and name HN )) 3.63 2.90 1.82
assign ((resid 43 and name HA )) ( (resid 55 and name HN )) 4.98 3.98 2.49
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assign ((resid 46 and name HG* )) ( (resid 47 and name HN )) 4.38 3.50 2.19
assign ((resid 46 and name HG* )) ( (resid 88 and name HH2 )) 4.20 3.36 2.10
assign ((resid 46 and name HG* )) ( (resid 100 and name HG2* )) 3.88 3.10 1.94
assign ((resid 46 and name HG* )) ( (resid 102 and name HA )) 4.84 3.87 2.42
assign ((resid 47 and name HN )) ( (resid 47 and name HG* )) 3.96 3.17 1.98
assign ((resid 47 and name HN )) ( (resid 101 and name HB* )) 4.52 3.62 2.26
assign ((resid 47 and name HB* )) ( (resid 47 and name HE* )) 4.26 3.41 2.13
assign ((resid 47 and name HG* )) ( (resid 48 and name HN )) 4.86 3.89 2.43
assign ((resid 47 and name HG* )) ( (resid 52 and name HA )) 4.39 3.51 2.19
assign ((resid 47 and name HG* )) ( (resid 52 and name HB2 )) 4.40 3.52 2.20
assign ((resid 47 and name HG* )) ( (resid 52 and name HB1 )) 4.86 3.89 2.43
assign ((resid 47 and name HG* )) ( (resid 53 and name HN )) 4.86 3.89 2.43
assign ((resid 48 and name HG2* )) ( (resid 48 and name HG1* )) 3.14 2.51 1.57
assign ((resid 48 and name HG2* )) ( (resid 49 and name HA* )) 4.15 3.32 2.08
assign ((resid 48 and name HG2* )) ( (resid 94 and name HB* )) 6.00 4.80 3.00
assign ((resid 48 and name HG1* )) ( (resid 49 and name HN )) 4.53 3.62 2.27
assign ((resid 48 and name HG1* )) ( (resid 100 and name HA )) 4.50 3.60 2.25
assign ((resid 48 and name HG1* )) ( (resid 100 and name HG2* )) 5.38 4.30 2.69
assign ((resid 49 and name HA* )) ( (resid 51 and name HN )) 4.09 3.27 2.05
assign ((resid 53 and name HG1* )) ( (resid 91 and name HB* )) 3.63 2.90 1.82
assign ((resid 53 and name HG1* )) ( (resid 91 and name HE* )) 3.27 2.62 1.63
assign ((resid 53 and name HG2* )) ( (resid 54 and name HB* )) 5.85 4.68 2.92
assign ((resid 53 and name HG2* )) ( (resid 91 and name HB* )) 3.22 2.58 1.61
assign ((resid 53 and name HG2* )) ( (resid 91 and name HG* )) 4.39 3.51 2.19
assign ((resid 54 and name HB* )) ( (resid 55 and name HN )) 3.56 2.85 1.78
assign ((resid 56 and name HA )) ( (resid 56 and name HD* )) 4.65 3.72 2.33
assign ((resid 56 and name HG* )) ( (resid 57 and name HN )) 4.06 3.25 2.03
assign ((resid 57 and name HD1 )) ( (resid 69 and name HG* )) 5.35 4.28 2.67
assign ((resid 57 and name HE1 )) ( (resid 69 and name HG* )) 3.77 3.02 1.88
assign ((resid 58 and name HG2* )) ( (resid 60 and name HD* )) 4.20 3.36 2.10
assign ((resid 60 and name HN )) ( (resid 60 and name HG* )) 3.26 2.61 1.63
assign ((resid 60 and name HB* )) ( (resid 61 and name HN )) 3.86 3.09 1.93
assign ((resid 60 and name HG* )) ( (resid 61 and name HN )) 4.32 3.46 2.16
assign ((resid 60 and name HG* )) ( (resid 61 and name HA )) 5.42 4.34 2.71
assign ((resid 60 and name HG* )) ( (resid 61 and name HD2 )) 4.62 3.70 2.31
assign ((resid 61 and name HA )) ( (resid 62 and name HG* )) 4.46 3.57 2.23
assign ((resid 61 and name HB* )) ( (resid 61 and name HD1 )) 3.24 2.59 1.62
assign ((resid 61 and name HB* )) ( (resid 61 and name HE2 )) 4.59 3.67 2.30
assign ((resid 61 and name HB* )) ( (resid 61 and name HD2 )) 3.20 2.56 1.60
assign ((resid 61 and name HD1 )) ( (resid 62 and name HG* )) 4.34 3.47 2.17
assign ((resid 61 and name HD1 )) ( (resid 63 and name HD* )) 5.20 4.16 2.60
assign ((resid 61 and name HE1 )) ( (resid 63 and name HB* )) 3.75 3.00 1.88
assign ((resid 61 and name HE1 )) ( (resid 63 and name HD* )) 3.63 2.90 1.82
assign ((resid 62 and name HG* )) ( (resid 63 and name HN )) 3.56 2.85 1.78
assign ((resid 62 and name HG* )) ( (resid 63 and name HB* )) 5.13 4.10 2.57
assign ((resid 62 and name HG* )) ( (resid 64 and name HN )) 4.38 3.50 2.19
assign ((resid 62 and name HG* )) ( (resid 64 and name HA )) 3.97 3.18 1.99
assign ((resid 62 and name HG* )) ( (resid 64 and name HB* )) 5.67 4.54 2.84
assign ((resid 62 and name HG* )) ( (resid 64 and name HG* )) 3.98 3.18 1.99
assign ((resid 62 and name HG* )) ( (resid 65 and name HN )) 5.76 4.61 2.88
assign ((resid 63 and name HN )) ( (resid 63 and name HD* )) 3.99 3.19 2.00
assign ((resid 63 and name HD* )) ( (resid 64 and name HN )) 3.87 3.10 1.93
assign ((resid 63 and name HD* )) ( (resid 67 and name HN )) 4.18 3.34 2.09
assign ((resid 63 and name HD* )) ( (resid 67 and name HB2 )) 3.89 3.11 1.95
assign ((resid 63 and name HD* )) ( (resid 67 and name HB1 )) 4.12 3.30 2.06
assign ((resid 63 and name HD* )) ( (resid 68 and name HN )) 4.22 3.38 2.11
assign ((resid 63 and name HD* )) ( (resid 68 and name HA )) 3.59 2.87 1.79
assign ((resid 63 and name HD* )) ( (resid 69 and name HN )) 4.43 3.54 2.21
assign ((resid 64 and name HN )) ( (resid 64 and name HG* )) 3.78 3.02 1.89
assign ((resid 64 and name HA )) ( (resid 64 and name HD* )) 4.47 3.58 2.23
assign ((resid 64 and name HB* )) ( (resid 64 and name HD* )) 3.25 2.60 1.62
assign ((resid 64 and name HB* )) ( (resid 64 and name HE* )) 4.23 3.38 2.12
assign ((resid 64 and name HB* )) ( (resid 65 and name HN )) 3.34 2.67 1.67
assign ((resid 64 and name HB* )) ( (resid 67 and name HB1 )) 3.87 3.10 1.93
assign ((resid 64 and name HB* )) ( (resid 67 and name HG* )) 4.88 3.90 2.44
assign ((resid 64 and name HD* )) ( (resid 65 and name HN )) 4.50 3.60 2.25
assign ((resid 67 and name HG* )) ( (resid 68 and name HN )) 3.92 3.14 1.96
assign ((resid 68 and name HB )) ( (resid 69 and name HG* )) 4.79 3.83 2.39
assign ((resid 69 and name HG* )) ( (resid 70 and name HN )) 3.13 2.50 1.57
assign ((resid 69 and name HG* )) ( (resid 70 and name HA )) 4.28 3.42 2.14
assign ((resid 69 and name HG* )) ( (resid 70 and name HB )) 5.20 4.16 2.60
assign ((resid 69 and name HG* )) ( (resid 71 and name HG11 )) 4.71 3.77 2.36
assign ((resid 69 and name HG* )) ( (resid 71 and name HD1* )) 3.13 2.50 1.57
assign ((resid 69 and name HG* )) ( (resid 85 and name HA )) 4.31 3.45 2.15
assign ((resid 69 and name HG* )) ( (resid 86 and name HN )) 4.66 3.73 2.33
assign ((resid 69 and name HG* )) ( (resid 86 and name HG )) 4.40 3.52 2.20
assign ((resid 72 and name HB* )) ( (resid 73 and name HN )) 3.68 2.94 1.84
assign ((resid 72 and name HB* )) ( (resid 87 and name HA )) 4.25 3.40 2.12
assign ((resid 72 and name HB* )) ( (resid 87 and name HD1* )) 3.30 2.64 1.65
assign ((resid 72 and name HB* )) ( (resid 88 and name HN )) 4.73 3.78 2.37
assign ((resid 72 and name HD1 )) ( (resid 78 and name HG* )) 4.59 3.67 2.30
assign ((resid 72 and name HE3 )) ( (resid 78 and name HG* )) 4.25 3.40 2.12
assign ((resid 72 and name HE1 )) ( (resid 78 and name HG* )) 5.02 4.02 2.51
assign ((resid 72 and name HZ3 )) ( (resid 78 and name HG* )) 4.34 3.47 2.17
assign ((resid 72 and name HZ2 )) ( (resid 78 and name HG* )) 4.32 3.46 2.16
assign ((resid 72 and name HH2 )) ( (resid 78 and name HG* )) 4.32 3.46 2.16
assign ((resid 73 and name HB* )) ( (resid 93 and name HB* )) 3.67 2.94 1.84
assign ((resid 75 and name HA )) ( (resid 75 and name HD2* )) 4.66 3.73 2.33
assign ((resid 75 and name HD2* )) ( (resid 92 and name HB* )) 3.85 3.08 1.92
assign ((resid 76 and name HB* )) ( (resid 77 and name HA* )) 4.40 3.52 2.20
assign ((resid 76 and name HB* )) ( (resid 78 and name HG* )) 3.62 2.90 1.81
assign ((resid 77 and name HN )) ( (resid 78 and name HG* )) 4.66 3.73 2.33
assign ((resid 77 and name HA* )) ( (resid 78 and name HA )) 4.42 3.54 2.21
assign ((resid 78 and name HG* )) ( (resid 79 and name HN )) 3.01 2.41 1.50
assign ((resid 78 and name HG* )) ( (resid 87 and name HD1* )) 3.94 3.15 1.97
assign ((resid 81 and name HA )) ( (resid 82 and name HG* )) 4.34 3.47 2.17
assign ((resid 82 and name HB* )) ( (resid 83 and name HD2 )) 4.03 3.22 2.02
assign ((resid 82 and name HB* )) ( (resid 84 and name HN )) 3.84 3.07 1.92
assign ((resid 82 and name HG* )) ( (resid 87 and name HD1* )) 3.85 3.08 1.92
assign ((resid 83 and name HG* )) ( (resid 84 and name HN )) 3.83 3.06 1.91
assign ((resid 87 and name HG2* )) ( (resid 89 and name HG* )) 3.36 2.69 1.68
assign ((resid 88 and name HD1 )) ( (resid 90 and name HB* )) 4.99 3.99 2.49
assign ((resid 88 and name HE1 )) ( (resid 90 and name HB* )) 5.01 4.01 2.51
assign ((resid 88 and name HE1 )) ( (resid 91 and name HB* )) 4.63 3.70 2.32
assign ((resid 89 and name HN )) ( (resid 89 and name HG* )) 3.34 2.67 1.67
assign ((resid 89 and name HB* )) ( (resid 89 and name HE* )) 4.25 3.40 2.12
assign ((resid 89 and name HB* )) ( (resid 90 and name HN )) 3.84 3.07 1.92
assign ((resid 90 and name HA )) ( (resid 90 and name HD2* )) 4.46 3.57 2.23
assign ((resid 90 and name HB* )) ( (resid 90 and name HD2* )) 2.97 2.38 1.49
assign ((resid 91 and name HA )) ( (resid 91 and name HE* )) 5.26 4.21 2.63
assign ((resid 91 and name HB* )) ( (resid 91 and name HE* )) 3.94 3.15 1.97
assign ((resid 91 and name HG* )) ( (resid 92 and name HN )) 3.58 2.86 1.79
assign ((resid 91 and name HE* )) ( (resid 92 and name HN )) 5.10 4.08 2.55
assign ((resid 92 and name HN )) ( (resid 92 and name HD2* )) 3.88 3.10 1.94
assign ((resid 92 and name HB* )) ( (resid 92 and name HD2* )) 3.12 2.50 1.56
assign ((resid 92 and name HB* )) ( (resid 93 and name HN )) 3.53 2.82 1.76
assign ((resid 93 and name HB* )) ( (resid 94 and name HN )) 3.47 2.78 1.74
assign ((resid 94 and name HB* )) ( (resid 95 and name HN )) 3.38 2.70 1.69
assign ((resid 94 and name HB* )) ( (resid 95 and name HA* )) 4.49 3.59 2.24
assign ((resid 97 and name HN )) ( (resid 98 and name HG* )) 4.99 3.99 2.49
assign ((resid 98 and name HN )) ( (resid 98 and name HG* )) 3.29 2.63 1.64
assign ((resid 99 and name HB* )) ( (resid 100 and name HN )) 3.75 3.00 1.88
assign ((resid 101 and name HA )) ( (resid 101 and name HD* )) 4.41 3.53 2.20
assign ((resid 101 and name HA )) ( (resid 102 and name HG* )) 4.48 3.58 2.24
assign ((resid 101 and name HB* )) ( (resid 101 and name HD* )) 3.02 2.42 1.51
assign ((resid 101 and name HB* )) ( (resid 101 and name HE* )) 4.33 3.46 2.16
assign ((resid 101 and name HD* )) ( (resid 103 and name HD1* )) 3.41 2.73 1.71
assign ((resid 101 and name HD* )) ( (resid 116 and name HB2 )) 4.40 3.52 2.20
assign ((resid 101 and name HD* )) ( (resid 116 and name HB1 )) 4.31 3.45 2.15
assign ((resid 102 and name HG* )) ( (resid 103 and name HN )) 3.05 2.44 1.52
assign ((resid 102 and name HG* )) ( (resid 114 and name HN )) 6.11 4.89 3.06
assign ((resid 102 and name HG* )) ( (resid 114 and name HA )) 4.52 3.62 2.26
assign ((resid 102 and name HG* )) ( (resid 115 and name HN )) 4.68 3.74 2.34
assign ((resid 102 and name HG* )) ( (resid 116 and name HA )) 4.23 3.38 2.12
assign ((resid 102 and name HG* )) ( (resid 116 and name HB1 )) 5.37 4.30 2.68
assign ((resid 103 and name HA )) ( (resid 114 and name HB* )) 3.90 3.12 1.95
assign ((resid 103 and name HG2* )) ( (resid 105 and name HE* )) 3.89 3.11 1.95
assign ((resid 103 and name HG2* )) ( (resid 111 and name HB* )) 4.68 3.74 2.34
assign ((resid 103 and name HG2* )) ( (resid 114 and name HB* )) 3.87 3.10 1.93
assign ((resid 103 and name HG2* )) ( (resid 114 and name HE* )) 4.51 3.61 2.26
assign ((resid 103 and name HD1* )) ( (resid 114 and name HB* )) 4.30 3.44 2.15
assign ((resid 103 and name HD1* )) ( (resid 114 and name HE* )) 4.18 3.34 2.09
assign ((resid 104 and name HN )) ( (resid 114 and name HB* )) 4.44 3.55 2.22
assign ((resid 104 and name HB2 )) ( (resid 112 and name HG* )) 3.23 2.58 1.62
assign ((resid 104 and name HB1 )) ( (resid 112 and name HG* )) 3.88 3.10 1.94
assign ((resid 105 and name HA )) ( (resid 111 and name HB* )) 5.83 4.66 2.91
assign ((resid 105 and name HA )) ( (resid 111 and name HG* )) 5.69 4.55 2.85
assign ((resid 105 and name HA )) ( (resid 112 and name HG* )) 3.87 3.10 1.93
assign ((resid 105 and name HB1 )) ( (resid 109 and name HA* )) 4.03 3.22 2.02
assign ((resid 105 and name HG2 )) ( (resid 111 and name HB* )) 4.85 3.88 2.42
assign ((resid 106 and name HN )) ( (resid 112 and name HG* )) 3.46 2.77 1.73
assign ((resid 106 and name HA )) ( (resid 112 and name HG* )) 3.86 3.09 1.93
assign ((resid 106 and name HB1 )) ( (resid 112 and name HG* )) 5.20 4.16 2.60
assign ((resid 107 and name HN )) ( (resid 108 and name HG* )) 4.66 3.73 2.33
assign ((resid 107 and name HB* )) ( (resid 108 and name HN )) 3.96 3.17 1.98
assign ((resid 108 and name HN )) ( (resid 108 and name HG* )) 3.16 2.53 1.58
assign ((resid 111 and name HA )) ( (resid 112 and name HG* )) 3.92 3.14 1.96
assign ((resid 111 and name HG* )) ( (resid 112 and name HN )) 4.05 3.24 2.03
assign ((resid 112 and name HA )) ( (resid 112 and name HG* )) 2.90 2.32 1.45
assign ((resid 112 and name HG* )) ( (resid 113 and name HN )) 3.31 2.65 1.65
assign ((resid 114 and name HB* )) ( (resid 114 and name HE* )) 3.99 3.19 2.00
assign ((resid 114 and name HG2 )) ( (resid 114 and name HE* )) 3.56 2.85 1.78
assign ((resid 114 and name HG1 )) ( (resid 114 and name HE* )) 3.53 2.82 1.76
assign ((resid 115 and name HD* )) ( (resid 116 and name HN )) 5.66 4.53 2.83
assign ((resid 118 and name HA )) ( (resid 118 and name HG* )) 2.94 2.35 1.47
assign ((resid 118 and name HG* )) ( (resid 119 and name HN )) 3.82 3.06 1.91
assign ((resid 120 and name HA )) ( (resid 120 and name HD* )) 4.63 3.70 2.32
assign ((resid 120 and name HB* )) ( (resid 120 and name HE* )) 4.88 3.90 2.44
assign ((resid 120 and name HB* )) ( (resid 121 and name HN )) 3.58 2.86 1.79
assign ((resid 120 and name HG* )) ( (resid 121 and name HN )) 4.59 3.67 2.30
list of removed NOE constraints
7-> GLY 95 HN - THR 96 HA 1.02 7.64 # NoRestrctn S [2.00 3.99] -- sequential
46-> HIS 8 HA - SER 9 HN 0.56 4.21 # NoRestrctn S [2.00 3.99] -- sequential
50-> MET 11 HN - THR 12 HA 1.06 7.93 # NoRestrctn S [2.00 3.99] -- sequential
51-> SER 9 HA - HIS 10 HN 0.63 4.73 # NoRestrctn S [2.00 3.99] -- sequential
53-> HIS 10 HA - MET 11 HN 0.55 4.15 # NoRestrctn S [2.00 3.99] -- sequential
54-> MET 11 HA - THR 12 HN 0.54 4.05 # NoRestrctn S [2.00 3.99] -- sequential
56-> MET 11 HN - MET 11 HB2 0.65 4.86 # NoRestrctn I [2.00 4.30] -- intra
60-> THR 12 HN - THR 12 HB 0.77 5.80 # NoRestrctn I [2.00 4.30] -- intra
63-> GLY 13 HA2 - ASN 14 HN 0.65 4.89 # NoRestrctn S [2.00 3.99] -- sequential
64-> GLY 13 HA1 - ASN 14 HN 0.65 4.89 # NoRestrctn S [2.00 3.99] -- sequential
66-> ASN 14 HN - ASN 14 HB1 0.81 6.06 # NoRestrctn I [2.00 4.30] -- intra
68-> VAL 15 HA - CYS 16 HN 0.59 4.44 # NoRestrctn S [2.00 3.99] -- sequential
71-> VAL 15 HN - VAL 15 HG1* 0.81 6.05 # NoRestrctn I [2.29 6.01] -- intra
73-> VAL 15 HN - VAL 15 HG2* 0.81 6.05 # NoRestrctn I [2.29 6.01] -- intra
78-> CYS 16 HA - ILE 17 HN 0.62 4.63 # NoRestrctn S [2.00 3.99] -- sequential
79-> CYS 16 HN - CYS 16 HB2 0.80 5.97 # NoRestrctn I [2.00 4.30] -- intra
80-> CYS 16 HN - CYS 16 HB1 0.80 5.97 # NoRestrctn I [2.00 4.30] -- intra
81-> ILE 17 HA - GLU 18 HN 0.65 4.85 # NoRestrctn S [2.00 3.99] -- sequential
84-> ILE 17 HN - ILE 17 HB 0.67 5.04 # NoRestrctn I [2.00 4.30] -- intra
85-> GLU 18 HN - GLU 18 HB2 0.77 5.79 # NoRestrctn I [2.00 4.30] -- intra
86-> GLU 18 HN - GLU 18 HB1 0.77 5.79 # NoRestrctn I [2.00 4.30] -- intra
93-> GLU 18 HN - GLU 18 HG2 1.03 7.74 # NoRestrctn I [2.35 6.01] -- intra
94-> GLU 18 HN - GLU 18 HG1 1.03 7.74 # NoRestrctn I [2.35 6.01] -- intra
97-> GLU 19 HA - ILE 20 HN 0.58 4.34 # NoRestrctn S [2.00 3.99] -- sequential
101-> GLU 19 HN - GLU 19 HG2 1.00 7.53 # NoRestrctn I [2.35 6.01] -- intra
103-> GLU 19 HN - GLU 19 HG1 1.00 7.53 # NoRestrctn I [2.35 6.01] -- intra
106-> ILE 20 HA - ASP 21 HN 0.64 4.82 # NoRestrctn S [2.00 3.99] -- sequential
108-> ILE 20 HN - ILE 20 HB 0.68 5.13 # NoRestrctn I [2.00 4.30] -- intra
111-> ILE 20 HN - ILE 20 HG2* 0.78 5.88 # NoRestrctn I [2.04 4.91] -- intra
115-> ASP 21 HA - VAL 22 HN 0.57 4.29 # NoRestrctn S [2.00 3.99] -- sequential
116-> ASP 21 HN - ASP 21 HB2 0.71 5.29 # NoRestrctn I [2.00 4.30] -- intra
120-> ASP 21 HN - ASP 21 HB1 0.71 5.29 # NoRestrctn I [2.00 4.30] -- intra
127-> VAL 22 HN - VAL 22 HB 0.65 4.90 # NoRestrctn I [2.00 4.30] -- intra
131-> ASP 23 HN - ASP 23 HB2 0.70 5.22 # NoRestrctn I [2.00 4.30] -- intra
132-> ASP 23 HN - ASP 23 HB1 0.70 5.22 # NoRestrctn I [2.00 4.30] -- intra
138-> LYS 25 HN - LYS 25 HG2 0.82 6.14 # NoRestrctn I [2.35 6.01] -- intra
139-> LYS 25 HN - LYS 25 HG1 0.82 6.14 # NoRestrctn I [2.35 6.01] -- intra
141-> PHE 26 HA - ILE 27 HN 0.65 4.90 # NoRestrctn S [2.00 3.99] -- sequential
144-> GLN 35 HN - GLN 35 HB2 0.73 5.48 # NoRestrctn I [2.00 4.30] -- intra
151-> ILE 27 HA - ARG 28 HN 0.62 4.68 # NoRestrctn S [2.00 3.99] -- sequential
152-> ILE 27 HN - ILE 27 HB 0.75 5.60 # NoRestrctn I [2.00 4.30] -- intra
161-> ARG 28 HA - LEU 29 HN 0.63 4.71 # NoRestrctn S [2.00 3.99] -- sequential
163-> ARG 28 HN - ARG 28 HB2 0.71 5.34 # NoRestrctn I [2.00 4.30] -- intra
165-> ARG 28 HN - ARG 28 HB1 0.75 5.60 # NoRestrctn I [2.00 4.30] -- intra
170-> LEU 29 HA - LYS 30 HN 0.61 4.59 # NoRestrctn S [2.00 3.99] -- sequential
177-> LYS 30 HA - ASN 31 HN 0.64 4.77 # NoRestrctn S [2.00 3.99] -- sequential
185-> ASN 31 HA - THR 32 HN 0.60 4.53 # NoRestrctn S [2.00 3.99] -- sequential
187-> ASN 31 HN - ASN 31 HB2 0.74 5.58 # NoRestrctn I [2.00 4.30] -- intra
188-> ASN 31 HN - ASN 31 HB1 0.74 5.58 # NoRestrctn I [2.00 4.30] -- intra
196-> SER 33 HA - GLU 34 HN 0.62 4.66 # NoRestrctn S [2.00 3.99] -- sequential
197-> SER 33 HN - SER 33 HB2 0.77 5.74 # NoRestrctn I [2.00 4.30] -- intra
199-> SER 33 HN - SER 33 HB1 0.77 5.74 # NoRestrctn I [2.00 4.30] -- intra
202-> GLU 34 HN - GLU 34 HB2 0.65 4.85 # NoRestrctn I [2.00 4.30] -- intra
208-> GLU 34 HN - GLN 35 HA 1.01 7.58 # NoRestrctn S [2.00 3.99] -- sequential
209-> GLN 35 HA - ASP 36 HN 0.56 4.17 # NoRestrctn S [2.00 3.99] -- sequential
210-> GLN 35 HN - GLN 35 HB1 0.73 5.48 # NoRestrctn I [2.00 4.30] -- intra
215-> ASP 36 HA - GLN 37 HN 0.64 4.80 # NoRestrctn S [2.00 3.99] -- sequential
217-> ASP 36 HN - ASP 36 HB1 0.75 5.65 # NoRestrctn I [2.00 4.30] -- intra
220-> ASP 36 HN - ASP 36 HB2 0.66 4.98 # NoRestrctn I [2.00 4.30] -- intra
225-> GLN 37 HN - GLN 37 HB2 0.78 5.85 # NoRestrctn I [2.00 4.30] -- intra
226-> GLN 37 HN - GLN 37 HB1 0.78 5.85 # NoRestrctn I [2.00 4.30] -- intra
227-> PRO 38 HA - MET 39 HN 0.63 4.74 # NoRestrctn S [2.00 3.99] -- sequential
237-> MET 39 HN - MET 39 HG1 0.96 7.17 # NoRestrctn I [2.35 6.01] -- intra
240-> GLY 40 HA1 - GLY 41 HN 0.66 4.92 # NoRestrctn S [2.00 3.99] -- sequential
245-> TRP 42 HN - TRP 42 HB2 0.73 5.45 # NoRestrctn I [2.00 4.30] -- intra
246-> TRP 42 HN - TRP 42 HB1 0.73 5.45 # NoRestrctn I [2.00 4.30] -- intra
250-> GLU 43 HA - MET 44 HN 0.59 4.44 # NoRestrctn S [2.00 3.99] -- sequential
251-> GLU 43 HN - GLU 43 HB2 0.72 5.37 # NoRestrctn I [2.00 4.30] -- intra
252-> LYS 105 HN - LYS 105 HB2 0.72 5.43 # NoRestrctn I [2.00 4.30] -- intra
253-> GLU 43 HN - GLU 43 HB1 0.73 5.51 # NoRestrctn I [2.00 4.30] -- intra
259-> MET 44 HA - ILE 45 HN 0.62 4.63 # NoRestrctn S [2.00 3.99] -- sequential
268-> ILE 45 HA - ARG 46 HN 0.62 4.68 # NoRestrctn S [2.00 3.99] -- sequential
272-> ILE 45 HN - ILE 45 HB 0.69 5.15 # NoRestrctn I [2.00 4.30] -- intra
279-> ARG 46 HA - LYS 47 HN 0.63 4.71 # NoRestrctn S [2.00 3.99] -- sequential
280-> ARG 46 HN - ARG 46 HB2 0.76 5.73 # NoRestrctn I [2.00 4.30] -- intra
284-> ARG 46 HN - ARG 46 HB1 0.76 5.73 # NoRestrctn I [2.00 4.30] -- intra
291-> LYS 47 HA - ILE 48 HN 0.59 4.43 # NoRestrctn S [2.00 3.99] -- sequential
292-> ARG 46 HN - LYS 47 HA 1.07 8.02 # NoRestrctn S [2.00 3.99] -- sequential
294-> LYS 47 HN - LYS 47 HB2 0.78 5.88 # NoRestrctn I [2.00 4.30] -- intra
296-> LYS 47 HN - LYS 47 HB1 0.78 5.88 # NoRestrctn I [2.00 4.30] -- intra
301-> ILE 48 HA - GLY 49 HN 0.71 5.34 # NoRestrctn S [2.00 3.99] -- sequential
305-> LYS 101 HN - LYS 101 HG1 0.96 7.23 # NoRestrctn I [2.35 6.01] -- intra
306-> ILE 48 HN - ILE 48 HG11 1.02 7.68 # NoRestrctn I [2.35 6.01] -- intra
307-> ILE 48 HN - ILE 48 HG2* 0.79 5.90 # NoRestrctn I [2.04 4.91] -- intra
311-> ASP 50 HN - ASP 50 HB2 0.76 5.70 # NoRestrctn I [2.00 4.30] -- intra
313-> ASP 50 HN - ASP 50 HB1 0.76 5.70 # NoRestrctn I [2.00 4.30] -- intra
316-> THR 51 HA - SER 52 HN 0.54 4.07 # NoRestrctn S [2.00 3.99] -- sequential
322-> SER 52 HA - VAL 53 HN 0.59 4.41 # NoRestrctn S [2.00 3.99] -- sequential
323-> SER 52 HN - SER 52 HB1 0.70 5.26 # NoRestrctn I [2.00 4.30] -- intra
327-> VAL 53 HA - SER 54 HN 0.56 4.18 # NoRestrctn S [2.00 3.99] -- sequential
328-> VAL 53 HN - VAL 53 HB 0.74 5.55 # NoRestrctn I [2.00 4.30] -- intra
334-> SER 54 HA - TYR 55 HN 0.60 4.49 # NoRestrctn S [2.00 3.99] -- sequential
338-> TYR 55 HA - LYS 56 HN 0.57 4.30 # NoRestrctn S [2.00 3.99] -- sequential
340-> TYR 55 HN - TYR 55 HB2 0.75 5.63 # NoRestrctn I [2.00 4.30] -- intra
345-> TYR 55 HN - TYR 55 HB1 0.74 5.57 # NoRestrctn I [2.00 4.30] -- intra
351-> LYS 56 HA - TYR 57 HN 0.63 4.70 # NoRestrctn S [2.00 3.99] -- sequential
352-> LYS 56 HN - LYS 56 HB2 0.66 4.93 # NoRestrctn I [2.00 4.30] -- intra
353-> LYS 56 HN - LYS 56 HB1 0.66 4.93 # NoRestrctn I [2.00 4.30] -- intra
357-> TYR 57 HA - THR 58 HN 0.60 4.47 # NoRestrctn S [2.00 3.99] -- sequential
358-> TYR 57 HN - TYR 57 HB2 0.82 6.18 # NoRestrctn I [2.00 4.30] -- intra
360-> TYR 57 HN - TYR 57 HB1 0.74 5.52 # NoRestrctn I [2.00 4.30] -- intra
363-> THR 58 HA - SER 59 HN 0.57 4.24 # NoRestrctn S [2.00 3.99] -- sequential
365-> THR 58 HN - THR 58 HB 0.76 5.73 # NoRestrctn I [2.00 4.30] -- intra
372-> SER 59 HA - ARG 60 HN 0.70 5.26 # NoRestrctn S [2.00 3.99] -- sequential
373-> SER 59 HN - SER 59 HB2 0.69 5.16 # NoRestrctn I [2.00 4.30] -- intra
374-> SER 59 HN - SER 59 HB1 0.69 5.16 # NoRestrctn I [2.00 4.30] -- intra
376-> ARG 60 HA - TYR 61 HN 0.71 5.34 # NoRestrctn S [2.00 3.99] -- sequential
377-> ARG 60 HN - ARG 60 HB2 0.80 5.99 # NoRestrctn I [2.00 4.30] -- intra
379-> ARG 60 HN - ARG 60 HB1 0.80 5.99 # NoRestrctn I [2.00 4.30] -- intra
381-> ARG 60 HN - ARG 60 HG1 0.81 6.05 # NoRestrctn I [2.35 6.01] -- intra
383-> TYR 61 HA - VAL 62 HN 0.56 4.18 # NoRestrctn S [2.00 3.99] -- sequential
384-> TYR 61 HN - TYR 61 HB2 0.75 5.61 # NoRestrctn I [2.00 4.30] -- intra
386-> TYR 61 HN - TYR 61 HB1 0.75 5.61 # NoRestrctn I [2.00 4.30] -- intra
392-> VAL 62 HA - LEU 63 HN 0.61 4.56 # NoRestrctn S [2.00 3.99] -- sequential
393-> VAL 62 HN - VAL 62 HB 0.80 6.02 # NoRestrctn I [2.00 4.30] -- intra
399-> LEU 63 HA - LYS 64 HN 0.62 4.62 # NoRestrctn S [2.00 3.99] -- sequential
400-> LEU 63 HN - LEU 63 HB2 0.73 5.46 # NoRestrctn I [2.00 4.30] -- intra
401-> LYS 64 HN - LYS 64 HB1 0.73 5.48 # NoRestrctn I [2.00 4.30] -- intra
402-> LEU 63 HN - LEU 63 HB1 0.73 5.46 # NoRestrctn I [2.00 4.30] -- intra
408-> LYS 64 HA - ALA 65 HN 0.61 4.57 # NoRestrctn S [2.00 3.99] -- sequential
409-> LYS 64 HN - LYS 64 HB2 0.73 5.48 # NoRestrctn I [2.00 4.30] -- intra
411-> LYS 64 HN - LYS 64 HG1 0.90 6.78 # NoRestrctn I [2.35 6.01] -- intra
421-> ALA 65 HA - GLY 66 HN 0.61 4.57 # NoRestrctn S [2.00 3.99] -- sequential
428-> ALA 65 HN - ALA 65 HB* 0.59 4.43 # NoRestrctn I [2.66 3.68] -- intra
440-> GLN 67 HA - THR 68 HN 0.58 4.34 # NoRestrctn S [2.00 3.99] -- sequential
442-> GLN 67 HN - GLN 67 HB1 0.65 4.85 # NoRestrctn I [2.00 4.30] -- intra
446-> GLN 67 HN - GLN 67 HB2 0.63 4.71 # NoRestrctn I [2.00 4.30] -- intra
451-> THR 68 HA - VAL 69 HN 0.62 4.63 # NoRestrctn S [2.00 3.99] -- sequential
452-> THR 68 HN - THR 68 HB 0.81 6.08 # NoRestrctn I [2.00 4.30] -- intra
461-> VAL 69 HA - THR 70 HN 0.60 4.49 # NoRestrctn S [2.00 3.99] -- sequential
462-> VAL 69 HN - VAL 69 HB 0.82 6.14 # NoRestrctn I [2.00 4.30] -- intra
464-> THR 70 HN - THR 70 HB 0.72 5.43 # NoRestrctn I [2.00 4.30] -- intra
473-> ILE 71 HA - TRP 72 HN 0.62 4.66 # NoRestrctn S [2.00 3.99] -- sequential
476-> ILE 71 HN - ILE 71 HB 0.69 5.18 # NoRestrctn I [2.00 4.30] -- intra
480-> ILE 71 HN - ILE 71 HG11 0.83 6.26 # NoRestrctn I [2.35 6.01] -- intra
485-> TRP 72 HA - ALA 73 HN 0.63 4.76 # NoRestrctn S [2.00 3.99] -- sequential
486-> TRP 72 HN - TRP 72 HB2 0.78 5.82 # NoRestrctn I [2.00 4.30] -- intra
488-> TRP 72 HN - TRP 72 HB1 0.78 5.82 # NoRestrctn I [2.00 4.30] -- intra
493-> ALA 73 HA - ALA 74 HN 0.66 4.98 # NoRestrctn S [2.00 3.99] -- sequential
496-> ALA 73 HN - ALA 73 HB* 0.63 4.74 # NoRestrctn I [2.66 3.68] -- intra
513-> ASN 75 HN - ASN 75 HB2 0.77 5.76 # NoRestrctn I [2.00 4.30] -- intra
514-> ASN 75 HB2 - ASN 75 HD21 0.81 6.05 # NoRestrctn I [2.10 3.57] -- intra
516-> ASN 75 HN - ASN 75 HB1 0.84 6.27 # NoRestrctn I [2.00 4.30] -- intra
521-> ASN 75 HN - ALA 76 HB* 0.84 6.30 # NoRestrctn S [2.00 6.01] -- sequential
522-> ALA 76 HN - ALA 76 HB* 0.59 4.40 # NoRestrctn I [2.66 3.68] -- intra
527-> VAL 78 HA - THR 79 HN 0.54 4.04 # NoRestrctn S [2.00 3.99] -- sequential
534-> THR 79 HA - ALA 80 HN 0.55 4.13 # NoRestrctn S [2.00 3.99] -- sequential
539-> ALA 80 HN - ALA 80 HB* 0.56 4.17 # NoRestrctn I [2.66 3.68] -- intra
540-> SER 81 HN - SER 81 HB1 0.79 5.96 # NoRestrctn I [2.00 4.30] -- intra
549-> ASP 85 HA - LEU 86 HN 0.62 4.68 # NoRestrctn S [2.00 3.99] -- sequential
554-> ASP 85 HN - ASP 85 HB2 0.77 5.76 # NoRestrctn I [2.00 4.30] -- intra
561-> LEU 86 HA - ILE 87 HN 0.61 4.60 # NoRestrctn S [2.00 3.99] -- sequential
563-> LEU 86 HN - LEU 86 HB2 0.69 5.19 # NoRestrctn I [2.00 4.30] -- intra
564-> LEU 86 HN - LEU 86 HD1* 0.93 6.95 # NoRestrctn I [2.29 6.01] -- intra
567-> ILE 87 HN - ILE 87 HB 0.63 4.76 # NoRestrctn I [2.00 4.30] -- intra
579-> TRP 88 HA - LYS 89 HN 0.61 4.57 # NoRestrctn S [2.00 3.99] -- sequential
580-> TRP 88 HN - TRP 88 HB2 0.74 5.55 # NoRestrctn I [2.00 4.30] -- intra
582-> TRP 88 HN - TRP 88 HB1 0.74 5.58 # NoRestrctn I [2.00 4.30] -- intra
588-> LYS 89 HA - ASN 90 HN 0.60 4.50 # NoRestrctn S [2.00 3.99] -- sequential
590-> LYS 89 HN - LYS 89 HB1 0.72 5.41 # NoRestrctn I [2.00 4.30] -- intra
600-> GLN 91 HA - ASN 92 HN 0.58 4.35 # NoRestrctn S [2.00 3.99] -- sequential
603-> GLN 91 HN - GLN 91 HB2 0.75 5.64 # NoRestrctn I [2.00 4.30] -- intra
605-> GLN 91 HN - GLN 91 HB1 0.75 5.64 # NoRestrctn I [2.00 4.30] -- intra
609-> ASN 92 HA - SER 93 HN 0.70 5.22 # NoRestrctn S [2.00 3.99] -- sequential
610-> ASN 92 HN - ASN 92 HB2 0.74 5.55 # NoRestrctn I [2.00 4.30] -- intra
612-> ASN 92 HN - ASN 92 HB1 0.74 5.55 # NoRestrctn I [2.00 4.30] -- intra
616-> SER 93 HA - TRP 94 HN 0.63 4.73 # NoRestrctn S [2.00 3.99] -- sequential
617-> SER 93 HN - SER 93 HB2 0.83 6.20 # NoRestrctn I [2.00 4.30] -- intra
619-> SER 93 HN - SER 93 HB1 0.83 6.20 # NoRestrctn I [2.00 4.30] -- intra
627-> THR 96 HA - GLY 97 HN 0.70 5.24 # NoRestrctn S [2.00 3.99] -- sequential
629-> THR 96 HN - THR 96 HB 0.73 5.51 # NoRestrctn I [2.00 4.30] -- intra
636-> GLU 98 HN - GLU 98 HB2 0.65 4.87 # NoRestrctn I [2.00 4.30] -- intra
638-> GLU 98 HN - GLU 98 HB1 0.75 5.63 # NoRestrctn I [2.00 4.30] -- intra
640-> GLU 98 HN - GLU 98 HG2 0.82 6.15 # NoRestrctn I [2.35 6.01] -- intra
642-> GLU 98 HN - GLU 98 HG1 0.82 6.15 # NoRestrctn I [2.35 6.01] -- intra
646-> ASP 99 HA - VAL 100 HN 0.59 4.41 # NoRestrctn S [2.00 3.99] -- sequential
652-> VAL 100 HA - LYS 101 HN 0.60 4.47 # NoRestrctn S [2.00 3.99] -- sequential
654-> VAL 100 HN - VAL 100 HB 0.69 5.21 # NoRestrctn I [2.00 4.30] -- intra
660-> LYS 101 HA - VAL 102 HN 0.61 4.54 # NoRestrctn S [2.00 3.99] -- sequential
666-> LYS 101 HN - LYS 101 HB2 0.78 5.84 # NoRestrctn I [2.00 4.30] -- intra
667-> LYS 101 HN - LYS 101 HB1 0.78 5.84 # NoRestrctn I [2.00 4.30] -- intra
675-> VAL 102 HA - ILE 103 HN 0.59 4.40 # NoRestrctn S [2.00 3.99] -- sequential
676-> VAL 102 HN - VAL 102 HB 0.69 5.18 # NoRestrctn I [2.00 4.30] -- intra
680-> THR 70 HA - ILE 71 HN 0.65 4.87 # NoRestrctn S [2.00 3.99] -- sequential
681-> ILE 103 HN - ILE 103 HB 0.70 5.26 # NoRestrctn I [2.00 4.30] -- intra
688-> LEU 104 HA - LYS 105 HN 0.61 4.56 # NoRestrctn S [2.00 3.99] -- sequential
690-> LEU 104 HN - LEU 104 HB2 0.69 5.18 # NoRestrctn I [2.00 4.30] -- intra
696-> LYS 105 HA - ASN 106 HN 0.60 4.51 # NoRestrctn S [2.00 3.99] -- sequential
702-> LYS 105 HN - LYS 105 HB1 0.76 5.68 # NoRestrctn I [2.00 4.30] -- intra
708-> ASN 106 HN - ASN 106 HB2 0.81 6.09 # NoRestrctn I [2.00 4.30] -- intra
709-> ASN 106 HA - SER 107 HN 0.62 4.63 # NoRestrctn S [2.00 3.99] -- sequential
727-> GLN 108 HN - GLN 108 HB2 0.63 4.76 # NoRestrctn I [2.00 4.30] -- intra
735-> GLU 110 HA - GLU 111 HN 0.55 4.15 # NoRestrctn S [2.00 3.99] -- sequential
737-> GLU 110 HN - GLU 110 HB1 0.60 4.53 # NoRestrctn I [2.00 4.30] -- intra
743-> GLU 111 HA - VAL 112 HN 0.63 4.73 # NoRestrctn S [2.00 3.99] -- sequential
744-> GLU 111 HN - GLU 111 HB2 0.63 4.74 # NoRestrctn I [2.00 4.30] -- intra
745-> GLU 111 HN - GLU 111 HB1 0.63 4.74 # NoRestrctn I [2.00 4.30] -- intra
747-> THR 121 HA - THR 122 HN 0.61 4.57 # NoRestrctn S [2.00 3.99] -- sequential
753-> ALA 113 HA - GLN 114 HN 0.55 4.13 # NoRestrctn S [2.00 3.99] -- sequential
755-> ALA 113 HN - ALA 113 HB* 0.67 4.99 # NoRestrctn I [2.66 3.68] -- intra
759-> ALA 113 HN - GLN 114 HA 1.19 8.95 # NoRestrctn S [2.00 3.99] -- sequential
760-> GLN 114 HA - ARG 115 HN 0.59 4.40 # NoRestrctn S [2.00 3.99] -- sequential
762-> GLN 114 HN - GLN 114 HG2 0.84 6.27 # NoRestrctn I [2.35 6.01] -- intra
766-> ARG 115 HA - SER 116 HN 0.57 4.29 # NoRestrctn S [2.00 3.99] -- sequential
767-> ARG 115 HN - ARG 115 HB2 0.83 6.23 # NoRestrctn I [2.00 4.30] -- intra
771-> ARG 115 HN - ARG 115 HB1 0.83 6.23 # NoRestrctn I [2.00 4.30] -- intra
778-> ARG 115 HN - SER 116 HA 0.98 7.35 # NoRestrctn S [2.00 3.99] -- sequential
779-> SER 116 HA - THR 117 HN 0.60 4.49 # NoRestrctn S [2.00 3.99] -- sequential
782-> SER 116 HN - SER 116 HB1 0.69 5.18 # NoRestrctn I [2.00 4.30] -- intra
786-> THR 117 HA - VAL 118 HN 0.56 4.21 # NoRestrctn S [2.00 3.99] -- sequential
787-> THR 117 HN - THR 117 HB 0.75 5.65 # NoRestrctn I [2.00 4.30] -- intra
791-> VAL 118 HN - VAL 118 HB 0.62 4.63 # NoRestrctn I [2.00 4.30] -- intra
795-> VAL 118 HN - VAL 118 HG2* 0.87 6.55 # NoRestrctn I [2.29 6.01] -- intra
797-> PHE 119 HA - LYS 120 HN 0.54 4.08 # NoRestrctn S [2.00 3.99] -- sequential
798-> PHE 119 HN - PHE 119 HB2 0.75 5.64 # NoRestrctn I [2.00 4.30] -- intra
800-> PHE 119 HN - PHE 119 HB1 0.75 5.64 # NoRestrctn I [2.00 4.30] -- intra
802-> LYS 120 HA - THR 121 HN 0.62 4.66 # NoRestrctn S [2.00 3.99] -- sequential
803-> LYS 120 HN - LYS 120 HB2 0.75 5.61 # NoRestrctn I [2.00 4.30] -- intra
805-> LYS 120 HN - LYS 120 HB1 0.75 5.61 # NoRestrctn I [2.00 4.30] -- intra
807-> LYS 120 HN - LYS 120 HG2 1.10 8.28 # NoRestrctn I [2.35 6.01] -- intra
808-> LYS 120 HN - LYS 120 HG1 1.10 8.28 # NoRestrctn I [2.35 6.01] -- intra
812-> THR 121 HN - THR 121 HB 0.77 5.79 # NoRestrctn I [2.00 4.30] -- intra
813-> THR 121 HN - THR 121 HG2* 0.81 6.08 # NoRestrctn I [2.04 5.99] -- intra
818-> ASP 85 HN - ASP 85 HB1 0.81 6.08 # NoRestrctn I [2.00 4.30] -- intra
825-> VAL 100 HA - VAL 100 HG1* 0.70 5.22 # NoRestrctn I [2.23 4.90] -- intra
827-> LEU 29 HB2 - LEU 29 HD2* 0.69 5.21 # NoRestrctn I [2.00 4.90] -- intra
833-> GLN 114 HA - GLN 114 HG1 0.84 6.32 # NoRestrctn I [2.06 4.60] -- intra
848-> GLN 37 HA - PRO 38 HD1 0.72 5.41 # NoRestrctn S [2.00 3.95] -- sequential
854-> THR 79 HA - THR 79 HG2* 0.66 4.98 # NoRestrctn I [2.00 4.50] -- intra
855-> THR 32 HA - THR 32 HG2* 0.67 4.99 # NoRestrctn I [2.00 4.50] -- intra
867-> HIS 7 HA - HIS 8 HN 0.64 4.83 # NoRestrctn S [2.00 3.99] -- sequential
868-> TRP 42 HA - GLU 43 HN 0.66 4.93 # NoRestrctn S [2.00 3.99] -- sequential
869-> MET 11 HN - MET 11 HB1 0.82 6.12 # NoRestrctn I [2.00 4.30] -- intra
871-> GLN 35 HA - GLN 35 HG1 0.79 5.94 # NoRestrctn I [2.06 4.60] -- intra
872-> THR 12 HA - THR 12 HB 0.57 4.27 # NoRestrctn I [2.22 3.02] -- intra
873-> THR 12 HA - THR 12 HG2* 0.67 5.04 # NoRestrctn I [2.00 4.50] -- intra
874-> THR 12 HA - GLY 13 HN 0.70 5.26 # NoRestrctn S [2.00 3.99] -- sequential
876-> ASN 14 HN - ASN 14 HB2 0.81 6.06 # NoRestrctn I [2.00 4.30] -- intra
878-> VAL 15 HN - VAL 15 HB 0.73 5.48 # NoRestrctn I [2.00 4.30] -- intra
879-> VAL 15 HA - VAL 15 HG1* 0.71 5.32 # NoRestrctn I [2.23 4.90] -- intra
881-> VAL 15 HA - VAL 15 HG2* 0.71 5.32 # NoRestrctn I [2.00 4.50] -- intra
891-> ILE 17 HA - ILE 17 HG2* 0.66 4.98 # NoRestrctn I [2.63 3.78] -- intra
894-> ILE 17 HA - ILE 17 HD1* 0.87 6.55 # NoRestrctn I [2.11 5.99] -- intra
895-> ILE 17 HB - ILE 17 HD1* 0.69 5.19 # NoRestrctn I [2.63 3.78] -- intra
903-> GLU 18 HA - GLU 18 HG2 0.80 6.03 # NoRestrctn I [2.06 4.60] -- intra
904-> GLU 18 HA - GLU 18 HG1 0.80 6.03 # NoRestrctn I [2.06 4.60] -- intra
907-> GLU 19 HA - GLU 19 HG1 0.80 6.02 # NoRestrctn I [2.06 4.60] -- intra
908-> GLU 19 HA - GLU 19 HG2 0.80 6.02 # NoRestrctn I [2.06 4.60] -- intra
911-> ILE 20 HA - ILE 20 HD1* 0.83 6.26 # NoRestrctn I [2.11 5.99] -- intra
915-> ILE 20 HN - ILE 20 HD1* 0.86 6.46 # NoRestrctn I [2.29 6.01] -- intra
916-> ILE 20 HB - ILE 20 HD1* 0.67 5.02 # NoRestrctn I [2.63 3.78] -- intra
917-> ILE 45 HB - ILE 45 HD1* 0.72 5.40 # NoRestrctn I [2.63 3.78] -- intra
918-> ILE 20 HA - ILE 20 HG2* 0.62 4.65 # NoRestrctn I [2.63 3.78] -- intra
921-> ILE 87 HN - ILE 87 HG2* 0.73 5.46 # NoRestrctn I [2.04 4.91] -- intra
928-> LYS 25 HA - LYS 25 HG2 0.83 6.21 # NoRestrctn I [2.06 4.60] -- intra
929-> LYS 25 HA - LYS 25 HG1 0.83 6.21 # NoRestrctn I [2.06 4.60] -- intra
944-> ILE 27 HA - ILE 27 HG12 0.81 6.09 # NoRestrctn I [2.06 4.60] -- intra
945-> ILE 27 HA - ILE 27 HG2* 0.70 5.25 # NoRestrctn I [2.63 3.78] -- intra
946-> ILE 27 HN - ILE 27 HD1* 0.86 6.42 # NoRestrctn I [2.29 6.01] -- intra
947-> ILE 27 HA - ILE 27 HD1* 0.88 6.60 # NoRestrctn I [2.11 5.99] -- intra
948-> ILE 27 HB - ILE 27 HD1* 0.67 5.04 # NoRestrctn I [2.63 3.78] -- intra
950-> ILE 27 HA - ILE 27 HG11 0.81 6.09 # NoRestrctn I [2.06 4.60] -- intra
951-> ILE 27 HN - ILE 27 HG2* 0.80 5.97 # NoRestrctn I [2.04 4.91] -- intra
962-> LEU 29 HA - LEU 29 HD2* 0.81 6.11 # NoRestrctn I [2.11 5.99] -- intra
964-> LEU 29 HB1 - LEU 29 HD2* 0.69 5.21 # NoRestrctn I [2.00 4.90] -- intra
966-> ARG 28 HN - ARG 28 HG1 0.96 7.18 # NoRestrctn I [2.35 6.01] -- intra
967-> LEU 29 HA - LEU 29 HG 0.80 5.97 # NoRestrctn I [2.06 4.26] -- intra
968-> LYS 30 HA - LYS 30 HG2 0.77 5.76 # NoRestrctn I [2.06 4.60] -- intra
983-> THR 32 HN - THR 32 HB 0.80 6.00 # NoRestrctn I [2.00 4.30] -- intra
990-> GLU 34 HN - GLU 34 HB1 0.79 5.91 # NoRestrctn I [2.00 4.30] -- intra
992-> GLU 34 HA - GLU 34 HG2 0.71 5.35 # NoRestrctn I [2.06 4.60] -- intra
993-> GLU 34 HA - GLU 34 HG1 0.69 5.21 # NoRestrctn I [2.06 4.60] -- intra
994-> GLN 35 HA - GLN 35 HG2 0.79 5.94 # NoRestrctn I [2.06 4.60] -- intra
1004-> MET 39 HA - MET 39 HG2 0.82 6.14 # NoRestrctn I [2.06 4.60] -- intra
1005-> MET 39 HA - MET 39 HG1 0.78 5.85 # NoRestrctn I [2.06 4.60] -- intra
1010-> GLU 43 HA - GLU 43 HG1 0.82 6.12 # NoRestrctn I [2.06 4.60] -- intra
1032-> ILE 45 HA - ILE 45 HG12 0.69 5.15 # NoRestrctn I [2.06 4.60] -- intra
1040-> ILE 45 HN - ILE 45 HG12 0.93 7.01 # NoRestrctn I [2.35 6.01] -- intra
1046-> ARG 28 HN - ARG 28 HG2 0.96 7.21 # NoRestrctn I [2.35 6.01] -- intra
1047-> ILE 45 HA - ILE 45 HG11 0.78 5.84 # NoRestrctn I [2.06 4.60] -- intra
1048-> ILE 45 HN - ILE 45 HG2* 0.81 6.06 # NoRestrctn I [2.04 4.91] -- intra
1049-> ILE 45 HA - ILE 45 HG2* 0.72 5.37 # NoRestrctn I [2.63 3.78] -- intra
1067-> ILE 48 HA - ILE 48 HG12 0.83 6.24 # NoRestrctn I [2.06 4.60] -- intra
1068-> ILE 48 HA - ILE 48 HG11 0.83 6.24 # NoRestrctn I [2.06 4.60] -- intra
1069-> VAL 112 HA - VAL 112 HG2* 0.69 5.19 # NoRestrctn I [2.00 4.50] -- intra
1070-> ILE 48 HN - ILE 48 HB 0.84 6.27 # NoRestrctn I [2.00 4.30] -- intra
1071-> ILE 48 HN - ILE 48 HD1* 1.01 7.59 # NoRestrctn I [2.29 6.01] -- intra
1072-> ILE 48 HA - ILE 48 HD1* 0.85 6.39 # NoRestrctn I [2.11 5.99] -- intra
1073-> ILE 48 HB - ILE 48 HD1* 0.67 5.01 # NoRestrctn I [2.63 3.78] -- intra
1080-> ILE 48 HA - ILE 48 HG2* 0.67 5.04 # NoRestrctn I [2.63 3.78] -- intra
1085-> ASP 50 HA - THR 51 HN 0.63 4.73 # NoRestrctn S [2.00 3.99] -- sequential
1088-> THR 51 HA - THR 51 HG2* 0.66 4.93 # NoRestrctn I [2.00 4.50] -- intra
1089-> THR 51 HN - THR 51 HB 0.73 5.45 # NoRestrctn I [2.00 4.30] -- intra
1094-> ILE 103 HA - ILE 103 HD1* 0.86 6.46 # NoRestrctn I [2.11 5.99] -- intra
1101-> VAL 53 HA - VAL 53 HG2* 0.73 5.45 # NoRestrctn I [2.00 4.50] -- intra
1120-> THR 58 HA - THR 58 HG2* 0.64 4.83 # NoRestrctn I [2.00 4.50] -- intra
1124-> ARG 60 HN - ARG 60 HG2 0.81 6.05 # NoRestrctn I [2.35 6.01] -- intra
1125-> ARG 60 HA - ARG 60 HG2 0.81 6.06 # NoRestrctn I [2.06 4.60] -- intra
1126-> ARG 60 HA - ARG 60 HG1 0.81 6.06 # NoRestrctn I [2.06 4.60] -- intra
1131-> VAL 62 HA - VAL 62 HG1* 0.70 5.25 # NoRestrctn I [2.23 4.90] -- intra
1135-> VAL 62 HA - VAL 62 HG2* 0.70 5.25 # NoRestrctn I [2.00 4.50] -- intra
1148-> LYS 64 HN - LYS 64 HG2 0.90 6.78 # NoRestrctn I [2.35 6.01] -- intra
1149-> LYS 64 HA - LYS 64 HG2 0.84 6.30 # NoRestrctn I [2.06 4.60] -- intra
1150-> LYS 64 HA - LYS 64 HG1 0.84 6.30 # NoRestrctn I [2.06 4.60] -- intra
1154-> LYS 64 HA - ALA 65 HB* 0.87 6.49 # NoRestrctn S [2.00 6.01] -- sequential
1167-> THR 68 HA - THR 68 HG2* 0.68 5.10 # NoRestrctn I [2.00 4.50] -- intra
1178-> THR 70 HA - THR 70 HG2* 0.74 5.54 # NoRestrctn I [2.00 4.50] -- intra
1182-> THR 70 HN - THR 70 HG2* 0.82 6.18 # NoRestrctn I [2.04 5.99] -- intra
1193-> ILE 71 HB - ILE 71 HD1* 0.80 6.00 # NoRestrctn I [2.63 3.78] -- intra
1196-> ILE 71 HG2* - ILE 71 HD1* 0.67 5.05 # NoRestrctn I [2.92 5.00] -- intra
1200-> ILE 71 HN - ILE 71 HG2* 0.82 6.17 # NoRestrctn I [2.04 4.91] -- intra
1201-> ILE 71 HA - ILE 71 HG2* 0.72 5.43 # NoRestrctn I [2.63 3.78] -- intra
1210-> TRP 72 HA - ALA 73 HB* 0.87 6.49 # NoRestrctn S [2.00 6.01] -- sequential
1215-> ALA 74 HN - ALA 74 HB* 0.63 4.71 # NoRestrctn I [2.66 3.68] -- intra
1223-> VAL 78 HA - VAL 78 HG1* 0.67 5.02 # NoRestrctn I [2.23 4.90] -- intra
1225-> VAL 78 HN - VAL 78 HB 0.75 5.60 # NoRestrctn I [2.00 4.30] -- intra
1226-> VAL 78 HA - VAL 78 HG2* 0.67 5.02 # NoRestrctn I [2.00 4.50] -- intra
1227-> THR 79 HN - THR 79 HB 0.69 5.18 # NoRestrctn I [2.00 4.30] -- intra
1229-> THR 122 HA - THR 122 HG2* 0.77 5.74 # NoRestrctn I [2.00 4.50] -- intra
1230-> ALA 80 HA - SER 81 HN 0.64 4.79 # NoRestrctn S [2.00 3.99] -- sequential
1231-> THR 79 HA - ALA 80 HB* 0.83 6.26 # NoRestrctn S [2.00 6.01] -- sequential
1233-> ALA 80 HB* - SER 81 HA 0.96 7.20 # NoRestrctn S [2.00 6.01] -- sequential
1238-> SER 81 HN - SER 81 HB2 0.79 5.96 # NoRestrctn I [2.00 4.30] -- intra
1240-> SER 81 HA - PRO 82 HD2 0.67 5.01 # NoRestrctn S [2.00 3.95] -- sequential
1241-> SER 81 HA - PRO 82 HD1 0.67 5.01 # NoRestrctn S [2.00 3.95] -- sequential
1244-> THR 84 HA - THR 84 HG2* 0.67 4.99 # NoRestrctn I [2.00 4.50] -- intra
1257-> LEU 86 HA - LEU 86 HD1* 0.81 6.06 # NoRestrctn I [2.11 5.99] -- intra
1258-> LEU 86 HB1 - LEU 86 HD1* 0.66 4.98 # NoRestrctn I [2.00 4.90] -- intra
1259-> LEU 86 HB2 - LEU 86 HD1* 0.66 4.93 # NoRestrctn I [2.00 4.90] -- intra
1264-> LEU 86 HN - LEU 86 HD2* 0.83 6.23 # NoRestrctn I [2.29 6.01] -- intra
1267-> LEU 86 HN - LEU 86 HG 0.86 6.48 # NoRestrctn I [2.35 6.01] -- intra
1269-> ILE 87 HA - TRP 88 HN 0.59 4.43 # NoRestrctn S [2.00 3.99] -- sequential
1270-> ILE 87 HB - ILE 87 HD1* 0.82 6.14 # NoRestrctn I [2.63 3.78] -- intra
1276-> ILE 87 HG2* - ILE 87 HD1* 0.68 5.10 # NoRestrctn I [2.92 5.00] -- intra
1277-> ILE 87 HN - ILE 87 HG12 0.92 6.93 # NoRestrctn I [2.35 6.01] -- intra
1278-> ILE 87 HN - ILE 87 HG11 0.87 6.51 # NoRestrctn I [2.35 6.01] -- intra
1282-> ILE 87 HA - ILE 87 HG2* 0.70 5.26 # NoRestrctn I [2.63 3.78] -- intra
1288-> LYS 89 HN - LYS 89 HB2 0.72 5.41 # NoRestrctn I [2.00 4.30] -- intra
1295-> LYS 89 HA - LYS 89 HG2 0.85 6.36 # NoRestrctn I [2.06 4.60] -- intra
1296-> LYS 89 HA - LYS 89 HG1 0.85 6.36 # NoRestrctn I [2.06 4.60] -- intra
1305-> THR 96 HA - THR 96 HG2* 0.64 4.83 # NoRestrctn I [2.00 4.50] -- intra
1306-> GLU 98 HA - ASP 99 HN 0.62 4.68 # NoRestrctn S [2.00 3.99] -- sequential
1311-> VAL 100 HA - VAL 100 HG2* 0.70 5.28 # NoRestrctn I [2.00 4.50] -- intra
1315-> LYS 101 HA - LYS 101 HG1 0.77 5.74 # NoRestrctn I [2.06 4.60] -- intra
1316-> LYS 101 HN - LYS 101 HG2 0.95 7.10 # NoRestrctn I [2.35 6.01] -- intra
1319-> VAL 102 HA - VAL 102 HG1* 0.80 6.03 # NoRestrctn I [2.23 4.90] -- intra
1320-> VAL 102 HA - VAL 102 HG2* 0.80 6.03 # NoRestrctn I [2.00 4.50] -- intra
1321-> ILE 103 HA - LEU 104 HN 0.64 4.79 # NoRestrctn S [2.00 3.99] -- sequential
1327-> ILE 103 HN - ILE 103 HD1* 0.85 6.35 # NoRestrctn I [2.29 6.01] -- intra
1332-> ILE 103 HN - ILE 103 HG11 0.86 6.42 # NoRestrctn I [2.35 6.01] -- intra
1333-> ILE 103 HA - ILE 103 HG12 0.81 6.05 # NoRestrctn I [2.06 4.60] -- intra
1334-> ILE 103 HA - ILE 103 HG11 0.80 6.02 # NoRestrctn I [2.06 4.60] -- intra
1337-> ILE 103 HN - ILE 103 HG12 0.82 6.12 # NoRestrctn I [2.35 6.01] -- intra
1338-> ILE 103 HA - ILE 103 HG2* 0.71 5.29 # NoRestrctn I [2.63 3.78] -- intra
1358-> LEU 104 HN - LEU 104 HD1* 0.94 7.08 # NoRestrctn I [2.29 6.01] -- intra
1360-> LEU 104 HB2 - LEU 104 HD1* 0.76 5.70 # NoRestrctn I [2.00 4.90] -- intra
1365-> LYS 105 HA - LYS 105 HG2 0.77 5.80 # NoRestrctn I [2.06 4.60] -- intra
1370-> GLN 108 HN - GLN 108 HB1 0.77 5.79 # NoRestrctn I [2.00 4.30] -- intra
1373-> GLU 110 HA - GLU 110 HG2 0.83 6.24 # NoRestrctn I [2.06 4.60] -- intra
1377-> VAL 112 HN - VAL 112 HB 0.79 5.91 # NoRestrctn I [2.00 4.30] -- intra
1381-> VAL 112 HA - VAL 112 HG1* 0.69 5.19 # NoRestrctn I [2.23 4.90] -- intra
1390-> VAL 112 HN - ALA 113 HB* 1.10 8.22 # NoRestrctn S [2.00 6.01] -- sequential
1396-> ARG 115 HA - ARG 115 HG2 0.78 5.88 # NoRestrctn I [2.06 4.60] -- intra
1397-> ARG 115 HA - ARG 115 HG1 0.78 5.88 # NoRestrctn I [2.06 4.60] -- intra
1402-> SER 116 HN - SER 116 HB2 0.81 6.08 # NoRestrctn I [2.00 4.30] -- intra
1403-> THR 117 HA - THR 117 HG2* 0.65 4.85 # NoRestrctn I [2.00 4.50] -- intra
1409-> VAL 118 HA - VAL 118 HG1* 0.68 5.10 # NoRestrctn I [2.23 4.90] -- intra
1410-> VAL 118 HA - VAL 118 HG2* 0.68 5.10 # NoRestrctn I [2.00 4.50] -- intra
1412-> VAL 118 HN - VAL 118 HG1* 0.87 6.55 # NoRestrctn I [2.29 6.01] -- intra
1437-> THR 121 HA - THR 121 HG2* 0.73 5.46 # NoRestrctn I [2.00 4.50] -- intra
1439-> THR 122 HN - THR 122 HG2* 0.93 6.99 # NoRestrctn I [2.04 5.99] -- intra
1441-> LEU 29 HN - LEU 29 HD2* 0.84 6.27 # NoRestrctn I [2.29 6.01] -- intra
1442-> GLN 37 HA - PRO 38 HD2 0.72 5.41 # NoRestrctn S [2.00 3.95] -- sequential
1443-> ILE 48 HN - ILE 48 HG12 1.02 7.68 # NoRestrctn I [2.35 6.01] -- intra
1544-> HIS 7 HB* - HIS 8 HN 0.85 6.36 # NoRestrctn S [2.00 6.01] -- sequential
1545-> SER 9 HN - SER 9 HB* 0.72 5.43 # NoRestrctn I [2.29 3.93] -- intra
1546-> HIS 10 HN - HIS 10 HB* 0.68 5.12 # NoRestrctn I [2.29 3.93] -- intra
1547-> HIS 10 HB* - MET 11 HN 0.85 6.39 # NoRestrctn S [2.00 6.01] -- sequential
1548-> ASN 14 HN - ASN 14 HB* 0.69 5.19 # NoRestrctn I [2.29 3.93] -- intra
1549-> ASN 14 HN - ASN 14 HD2* 0.94 7.05 # NoRestrctn I [2.29 6.01] -- intra
1553-> ASN 14 HB* - VAL 15 HN 0.83 6.20 # NoRestrctn S [2.00 6.01] -- sequential
1556-> VAL 15 HN - VAL 15 HG* 0.61 4.57 # NoRestrctn I [2.35 4.35] -- intra
1570-> CYS 16 HN - CYS 16 HB* 0.70 5.24 # NoRestrctn I [2.29 3.93] -- intra
1574-> ILE 17 HA - ILE 17 HG1* 0.74 5.58 # NoRestrctn I [2.23 4.01] -- intra
1584-> GLU 18 HN - GLU 18 HB* 0.65 4.89 # NoRestrctn I [2.29 3.93] -- intra
1585-> GLU 18 HN - GLU 18 HG* 0.88 6.63 # NoRestrctn I [2.29 6.01] -- intra
1587-> GLU 18 HA - GLU 18 HG* 0.69 5.16 # NoRestrctn I [2.23 4.01] -- intra
1595-> GLU 19 HN - GLU 19 HB* 0.71 5.29 # NoRestrctn I [2.29 3.93] -- intra
1596-> GLU 19 HN - GLU 19 HG* 0.88 6.61 # NoRestrctn I [2.29 6.01] -- intra
1597-> GLU 19 HA - GLU 19 HG* 0.69 5.15 # NoRestrctn I [2.23 4.01] -- intra
1601-> ILE 20 HA - ILE 20 HG1* 0.74 5.52 # NoRestrctn I [2.23 4.01] -- intra
1614-> ASP 23 HN - ASP 23 HB* 0.59 4.40 # NoRestrctn I [2.29 3.93] -- intra
1615-> ASP 23 HB* - GLY 24 HN 0.82 6.14 # NoRestrctn S [2.00 6.01] -- sequential
1617-> LYS 25 HN - LYS 25 HB* 0.68 5.07 # NoRestrctn I [2.29 3.93] -- intra
1619-> LYS 25 HA - LYS 25 HG* 0.72 5.38 # NoRestrctn I [2.23 4.01] -- intra
1625-> LYS 25 HG* - LYS 25 HE* 0.66 4.98 # NoRestrctn I [2.52 3.73] -- intra
1627-> ILE 27 HN - ILE 27 HG1* 0.84 6.27 # NoRestrctn I [2.29 6.01] -- intra
1628-> ILE 27 HA - ILE 27 HG1* 0.71 5.29 # NoRestrctn I [2.23 4.01] -- intra
1633-> ARG 28 HB2 - ARG 28 HD* 0.72 5.38 # NoRestrctn I [2.00 4.90] -- intra
1634-> ARG 28 HB1 - ARG 28 HD* 0.73 5.48 # NoRestrctn I [2.00 4.90] -- intra
1638-> LEU 29 HN - LEU 29 HB* 0.71 5.32 # NoRestrctn I [2.29 3.93] -- intra
1646-> LYS 30 HN - LYS 30 HB* 0.72 5.38 # NoRestrctn I [2.29 3.93] -- intra
1658-> ASN 31 HN - ASN 31 HB* 0.65 4.89 # NoRestrctn I [2.29 3.93] -- intra
1669-> SER 33 HN - SER 33 HB* 0.66 4.93 # NoRestrctn I [2.29 3.93] -- intra
1673-> GLN 35 HN - GLN 35 HG* 1.07 8.01 # NoRestrctn I [2.29 6.01] -- intra
1684-> GLN 37 HN - GLN 37 HB* 0.68 5.12 # NoRestrctn I [2.29 3.93] -- intra
1688-> GLN 37 HA - PRO 38 HD* 0.60 4.53 # NoRestrctn S [2.00 3.95] -- sequential
1689-> GLN 37 HB* - PRO 38 HD* 0.82 6.17 # NoRestrctn S [2.00 5.99] -- sequential
1705-> TRP 42 HN - TRP 42 HB* 0.63 4.74 # NoRestrctn I [2.29 3.93] -- intra
1712-> MET 44 HN - MET 44 HB* 0.68 5.09 # NoRestrctn I [2.29 3.93] -- intra
1732-> ARG 46 HN - ARG 46 HB* 0.67 5.02 # NoRestrctn I [2.29 3.93] -- intra
1733-> ARG 46 HN - ARG 46 HG* 1.06 7.95 # NoRestrctn I [2.29 6.01] -- intra
1737-> ARG 46 HB* - LYS 47 HN 0.82 6.18 # NoRestrctn S [2.00 6.01] -- sequential
1747-> LYS 47 HN - LYS 47 HB* 0.66 4.98 # NoRestrctn I [2.29 3.93] -- intra
1750-> LYS 47 HA - LYS 47 HG* 0.73 5.48 # NoRestrctn I [2.23 4.01] -- intra
1752-> LYS 47 HG* - LYS 47 HE* 0.65 4.89 # NoRestrctn I [2.52 3.73] -- intra
1758-> ILE 48 HN - ILE 48 HG1* 0.90 6.73 # NoRestrctn I [2.29 6.01] -- intra
1759-> ILE 48 HA - ILE 48 HG1* 0.72 5.37 # NoRestrctn I [2.23 4.01] -- intra
1766-> GLY 49 HA* - ASP 50 HN 0.60 4.51 # NoRestrctn S [2.00 3.55] -- sequential
1768-> ASP 50 HN - ASP 50 HB* 0.64 4.79 # NoRestrctn I [2.29 3.93] -- intra
1769-> ASP 50 HB* - THR 51 HN 0.81 6.06 # NoRestrctn S [2.00 6.01] -- sequential
1770-> VAL 53 HA - SER 54 HB* 0.85 6.40 # NoRestrctn S [2.00 6.01] -- sequential
1776-> SER 54 HN - SER 54 HB* 0.62 4.68 # NoRestrctn I [2.29 3.93] -- intra
1778-> LYS 56 HN - LYS 56 HG* 0.86 6.48 # NoRestrctn I [2.29 6.01] -- intra
1780-> LYS 56 HB* - TYR 57 HN 0.82 6.12 # NoRestrctn S [2.00 6.01] -- sequential
1784-> THR 58 HA - SER 59 HB* 1.07 7.99 # NoRestrctn S [2.00 6.01] -- sequential
1786-> SER 59 HN - SER 59 HB* 0.59 4.46 # NoRestrctn I [2.29 3.93] -- intra
1787-> ARG 60 HN - ARG 60 HB* 0.66 4.92 # NoRestrctn I [2.29 3.93] -- intra
1789-> ARG 60 HN - ARG 60 HD* 0.95 7.14 # NoRestrctn I [2.29 6.01] -- intra
1790-> ARG 60 HN - TYR 61 HB* 1.08 8.10 # NoRestrctn S [2.00 6.01] -- sequential
1791-> ARG 60 HA - ARG 60 HG* 0.69 5.18 # NoRestrctn I [2.23 4.01] -- intra
1792-> ARG 60 HB* - ARG 60 HD* 0.65 4.89 # NoRestrctn I [2.53 3.73] -- intra
1797-> TYR 61 HN - TYR 61 HB* 0.61 4.59 # NoRestrctn I [2.15 3.88] -- intra
1806-> VAL 62 HN - VAL 62 HG* 0.64 4.79 # NoRestrctn I [2.35 4.35] -- intra
1807-> VAL 62 HA - VAL 62 HG* 0.61 4.57 # NoRestrctn I [2.46 4.44] -- intra
1815-> LEU 63 HN - LEU 63 HB* 0.64 4.79 # NoRestrctn I [2.29 3.93] -- intra
1817-> LEU 63 HA - LEU 63 HD* 0.66 4.98 # NoRestrctn I [2.46 4.44] -- intra
1825-> LYS 64 HN - LYS 64 HB* 0.58 4.37 # NoRestrctn I [2.29 3.93] -- intra
1827-> LYS 64 HA - LYS 64 HG* 0.71 5.35 # NoRestrctn I [2.23 4.01] -- intra
1835-> GLN 67 HA - GLN 67 HG* 0.75 5.61 # NoRestrctn I [2.23 4.01] -- intra
1838-> VAL 69 HN - VAL 69 HG* 0.62 4.66 # NoRestrctn I [2.35 4.35] -- intra
1847-> TRP 72 HN - TRP 72 HB* 0.67 5.04 # NoRestrctn I [2.29 3.93] -- intra
1860-> ASN 75 HB1 - ASN 75 HD2* 0.71 5.29 # NoRestrctn I [2.00 4.90] -- intra
1862-> ALA 76 HN - GLY 77 HA* 0.96 7.21 # NoRestrctn S [2.00 3.55] -- sequential
1867-> VAL 78 HN - VAL 78 HG* 0.61 4.56 # NoRestrctn I [2.35 4.35] -- intra
1871-> SER 81 HA - PRO 82 HD* 0.58 4.38 # NoRestrctn S [2.00 3.95] -- sequential
1880-> LYS 89 HN - LYS 89 HB* 0.58 4.38 # NoRestrctn I [2.29 3.93] -- intra
1882-> LYS 89 HA - LYS 89 HG* 0.73 5.51 # NoRestrctn I [2.23 4.01] -- intra
1885-> LYS 89 HG* - LYS 89 HE* 0.66 4.95 # NoRestrctn I [2.52 3.73] -- intra
1886-> ASN 90 HN - ASN 90 HB* 0.70 5.26 # NoRestrctn I [2.29 3.93] -- intra
1887-> ASN 90 HN - GLN 91 HB* 1.11 8.33 # NoRestrctn S [2.00 6.01] -- sequential
1890-> ASN 90 HB* - GLN 91 HN 0.84 6.29 # NoRestrctn S [2.00 6.01] -- sequential
1891-> GLN 91 HN - GLN 91 HB* 0.65 4.86 # NoRestrctn I [2.29 3.93] -- intra
1892-> GLN 91 HN - GLN 91 HG* 1.07 8.01 # NoRestrctn I [2.29 6.01] -- intra
1897-> ASN 92 HN - ASN 92 HB* 0.63 4.70 # NoRestrctn I [2.29 3.93] -- intra
1901-> SER 93 HN - SER 93 HB* 0.70 5.26 # NoRestrctn I [2.29 3.93] -- intra
1903-> TRP 94 HN - TRP 94 HB* 0.71 5.29 # NoRestrctn I [2.29 3.93] -- intra
1906-> GLY 95 HA* - THR 96 HN 0.58 4.34 # NoRestrctn S [2.00 3.55] -- sequential
1909-> GLU 98 HA - GLU 98 HG* 0.66 4.98 # NoRestrctn I [2.23 4.01] -- intra
1910-> ASP 99 HN - ASP 99 HB* 0.63 4.74 # NoRestrctn I [2.29 3.93] -- intra
1912-> LYS 101 HN - LYS 101 HB* 0.68 5.10 # NoRestrctn I [2.29 3.93] -- intra
1917-> LYS 101 HB* - VAL 102 HN 0.83 6.26 # NoRestrctn S [2.00 6.01] -- sequential
1921-> VAL 102 HN - VAL 102 HG* 0.67 4.99 # NoRestrctn I [2.35 4.35] -- intra
1938-> LYS 105 HN - LYS 105 HD* 0.89 6.64 # NoRestrctn I [2.29 6.01] -- intra
1942-> LYS 105 HB2 - LYS 105 HD* 0.70 5.26 # NoRestrctn I [2.00 4.90] -- intra
1945-> ASN 106 HN - ASN 106 HD2* 0.84 6.30 # NoRestrctn I [2.29 6.01] -- intra
1949-> SER 107 HN - SER 107 HB* 0.72 5.43 # NoRestrctn I [2.29 3.93] -- intra
1953-> GLN 108 HN - GLY 109 HA* 0.95 7.10 # NoRestrctn S [2.00 3.55] -- sequential
1954-> GLN 108 HA - GLN 108 HG* 0.66 4.98 # NoRestrctn I [2.23 4.01] -- intra
1955-> GLU 110 HA - GLU 111 HB* 0.92 6.89 # NoRestrctn S [2.00 6.01] -- sequential
1956-> GLU 111 HN - GLU 111 HB* 0.55 4.13 # NoRestrctn I [2.29 3.93] -- intra
1957-> GLU 111 HA - GLU 111 HG* 0.71 5.32 # NoRestrctn I [2.23 4.01] -- intra
1960-> VAL 112 HN - VAL 112 HG* 0.62 4.63 # NoRestrctn I [2.35 4.35] -- intra
1963-> GLN 114 HN - GLN 114 HB* 0.73 5.45 # NoRestrctn I [2.29 3.93] -- intra
1967-> ARG 115 HN - ARG 115 HB* 0.71 5.29 # NoRestrctn I [2.29 3.93] -- intra
1968-> ARG 115 HA - ARG 115 HG* 0.68 5.10 # NoRestrctn I [2.23 4.01] -- intra
1969-> ARG 115 HB* - ARG 115 HD* 0.63 4.73 # NoRestrctn I [2.53 3.73] -- intra
1971-> VAL 118 HN - VAL 118 HG* 0.70 5.28 # NoRestrctn I [2.35 4.35] -- intra
1973-> VAL 118 HA - PHE 119 HB* 0.99 7.39 # NoRestrctn S [2.00 6.01] -- sequential
1975-> PHE 119 HN - PHE 119 HB* 0.64 4.82 # NoRestrctn I [2.29 3.93] -- intra
1976-> PHE 119 HB* - LYS 120 HN 0.81 6.06 # NoRestrctn S [2.00 6.01] -- sequential
1977-> LYS 120 HN - LYS 120 HB* 0.61 4.56 # NoRestrctn I [2.29 3.93] -- intra
1978-> LYS 120 HN - LYS 120 HG* 0.94 7.07 # NoRestrctn I [2.29 6.01] -- intra
====== TOTAL ======: 483
table of distance constraints violations
Residual Violations greater than 0.10
816-> VAL 53 HB - GLN 91 HE22 [ 0.97 7.24] 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 0.00 0.00 0.00 0.00 0.47 0.00 - 1 [ 0.47 .. 0.47]
-------------------------------------------
Number of Violations greater than 0.10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
-------------------------------------------
---- Summary Of Residual Distance Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
0.2 - 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0.05
> 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 : 1 0 0 1 0 0 0 2 0 1 0 0 1 2 0 0 0 0 2 0 0.50
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 : 0.011 0.000 0.000 0.014 0.000 0.000 0.000 0.096 0.000 0.073 0.000 0.000 0.089 0.085 0.000 0.000 0.000 0.000 0.468 0.000 0.468
Max Intra Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Max Seque Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Max Medium Viol : 0.011 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.073 0.000 0.000 0.089 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.089
Max Long Viol : 0.000 0.000 0.000 0.014 0.000 0.000 0.000 0.096 0.000 0.000 0.000 0.000 0.000 0.085 0.000 0.000 0.000 0.000 0.468 0.000 0.468
Average 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 0.00003
Avge Intra Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.00000
Avge Seque Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.00001
Avge Mediu Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.00000
Avge Long Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.001 0.000 0.00006
RMS Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.003 0.000 0.002 0.000 0.000 0.002 0.002 0.000 0.000 0.000 0.000 0.011 0.000 0.00257
RMS Intra : 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 0.00000
RMS Sequential : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.003 0.000 0.000 0.004 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.00106
RMS Medium range : 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 0.00000
RMS Long range : 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.004 0.000 0.000 0.000 0.000 0.000 0.003 0.000 0.000 0.000 0.000 0.019 0.000 0.00436
Final --global-- Summary for 20 models, 1982 NOEs/model, 39640 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 1.009
Summ sq. viol : 0.262
Maximum viol : 0.468
Average viol : 0.00003
RMSD viol : 0.00257
Std. Dev. viol : 0.00257
RMS Intra : 0.00000
RMS Seque : 0.00106
RMS Medi : 0.00000
RMS Long : 0.00436
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 0.531 0.283 0.580 0.576
GLY A 2 0.438 0.434
HIS A 3 0.877 0.427 0.255 0.181
HIS A 4 0.809 0.580 0.372 0.155
HIS A 5 0.713 0.549 0.526 0.409
HIS A 6 0.795 0.701 0.426 0.187
HIS A 7 0.668 0.778 0.179 0.269
HIS A 8 0.772 0.740 0.135 0.088
SER A 9 0.819 0.806 0.143 9
HIS A 10 0.809 0.751 0.992 0.873
MET A 11 0.811 0.931 0.989 0.998 0.600 11
THR A 12 0.898 0.347 0.491
GLY A 13 0.061 0.810
ASN A 14 0.927 0.650 0.477 0.145
VAL A 15 0.961 0.949 0.853 15 15
CYS A 16 0.965 0.986 0.479 16 16
ILE A 17 0.984 0.981 0.999 0.837 17 17
GLU A 18 0.981 0.982 0.998 0.988 0.301 18 18
GLU A 19 0.978 0.985 0.996 0.682 0.158 19 19
ILE A 20 0.966 0.980 0.998 0.999 20 20
ASP A 21 0.990 0.986 0.998 0.983 21 21
VAL A 22 0.974 0.979 0.999 22 22
ASP A 23 0.973 0.975 0.994 0.605 23 23
GLY A 24 0.957 0.980 24 24
LYS A 25 0.952 0.966 0.988 0.867 0.795 0.039 25 25
PHE A 26 0.987 0.994 0.999 0.113 26 26
ILE A 27 0.994 0.967 0.999 0.999 27 27
ARG A 28 0.968 0.993 0.990 0.987 0.273 0.736 0.998 28 28
LEU A 29 0.994 0.972 0.998 0.999 29 29
LYS A 30 0.964 0.990 0.995 0.994 0.330 0.507 30 30
ASN A 31 0.985 0.967 0.999 0.958 31 31
THR A 32 0.980 0.827 0.463 32
SER A 33 0.842 0.957 0.369 33
GLU A 34 0.984 0.914 0.998 0.995 0.215 34 34
GLN A 35 0.957 0.988 0.995 0.998 0.602 35 35
ASP A 36 0.993 0.976 0.996 0.458 36 36
GLN A 37 0.966 0.973 0.994 0.998 0.208 37 37
PRO A 38 0.992 0.731 0.932 0.859
MET A 39 0.620 0.763 0.993 0.982 0.397
GLY A 40 0.613 0.469
GLY A 41 0.564 0.905
TRP A 42 0.926 0.975 0.988 0.746 42 42
GLU A 43 0.964 0.990 0.996 0.995 0.353 43 43
MET A 44 0.996 0.992 0.998 0.998 0.919 44 44
ILE A 45 0.985 0.957 0.998 0.623 45 45
ARG A 46 0.939 0.974 0.991 0.967 0.418 0.546 0.998 46 46
LYS A 47 0.961 0.908 0.928 0.995 0.303 0.358 47 47
ILE A 48 0.894 0.289 0.996 0.943
GLY A 49 0.402 0.287
ASP A 50 0.274 0.744 0.313 0.347
THR A 51 0.843 0.970 0.999 51
SER A 52 0.974 0.819 0.998 52
VAL A 53 0.871 0.992 0.999 53
SER A 54 0.980 0.961 0.700 54 54
TYR A 55 0.956 0.988 0.994 0.995 55 55
LYS A 56 0.991 0.985 0.994 0.993 0.167 0.267 56 56
TYR A 57 0.982 0.895 0.997 0.610 57
THR A 58 0.861 0.944 0.996 58
SER A 59 0.974 0.863 0.400 59
ARG A 60 0.889 0.972 0.988 0.986 0.437 0.844 0.998 60
TYR A 61 0.970 0.984 0.996 0.608 61 61
VAL A 62 0.985 0.973 0.513 62 62
LEU A 63 0.972 0.979 0.824 0.401 63 63
LYS A 64 0.994 0.979 0.936 0.996 0.439 0.211 64 64
ALA A 65 0.992 0.987 65 65
GLY A 66 0.982 0.958 66 66
GLN A 67 0.961 0.979 0.907 0.925 0.674 67 67
THR A 68 0.986 0.903 0.998 68 68
VAL A 69 0.908 0.986 0.845 69 69
THR A 70 0.994 0.990 0.998 70 70
ILE A 71 0.992 0.990 0.998 1.000 71 71
TRP A 72 0.989 0.932 0.999 0.990 72 72
ALA A 73 0.956 0.815 73
ALA A 74 0.705 0.941
ASN A 75 0.977 0.903 0.993 0.493 75 75
ALA A 76 0.879 0.936 76
GLY A 77 0.975 0.895 77
VAL A 78 0.933 0.974 0.797 78 78
THR A 79 0.986 0.934 0.361 79 79
ALA A 80 0.908 0.602
SER A 81 0.448 0.937 0.605
PRO A 82 0.994 0.298 0.987 0.972
PRO A 83 0.678 0.495 0.827 0.941
THR A 84 0.484 0.905 0.587
ASP A 85 0.910 0.900 0.995 0.366 85
LEU A 86 0.927 0.975 0.994 0.996 86 86
ILE A 87 0.986 0.990 0.994 0.996 87 87
TRP A 88 0.993 0.969 0.994 0.863 88 88
LYS A 89 0.973 0.951 0.934 0.994 0.118 0.166 89 89
ASN A 90 0.930 0.960 0.996 0.791 90 90
GLN A 91 0.959 0.986 0.992 0.937 0.465 91 91
ASN A 92 0.981 0.752 0.995 0.443
SER A 93 0.773 0.830 0.311
TRP A 94 0.796 0.187 0.996 0.994
GLY A 95 0.400 0.684
THR A 96 0.680 0.608 0.536
GLY A 97 0.503 0.809
GLU A 98 0.888 0.747 0.984 0.994 0.522
ASP A 99 0.761 0.747 0.210 0.479
VAL A 100 0.820 0.953 0.999 100
LYS A 101 0.966 0.974 0.994 0.992 0.364 0.401 101 101
VAL A 102 0.976 0.987 0.594 102 102
ILE A 103 0.988 0.988 0.996 0.999 103 103
LEU A 104 0.988 0.993 0.998 1.000 104 104
LYS A 105 0.989 0.980 0.996 0.999 0.996 0.143 105 105
ASN A 106 0.973 0.915 0.996 0.901 106 106
SER A 107 0.864 0.919 0.224 107
GLN A 108 0.968 0.916 0.995 0.996 0.781 108 108
GLY A 109 0.864 0.929 109
GLU A 110 0.948 0.958 0.994 0.899 0.375 110 110
GLU A 111 0.962 0.989 0.999 0.998 0.604 111 111
VAL A 112 0.970 0.975 0.556 112 112
ALA A 113 0.940 0.975 113 113
GLN A 114 0.966 0.924 0.996 0.997 0.344 114 114
ARG A 115 0.946 0.982 0.961 0.938 0.452 0.663 0.999 115 115
SER A 116 0.962 0.971 0.997 116 116
THR A 117 0.944 0.809 0.914 117
VAL A 118 0.870 0.943 0.519 118
PHE A 119 0.900 0.796 0.476 0.320
LYS A 120 0.909 0.624 0.429 0.663 0.305 0.075
THR A 121 0.637 0.749 0.243
THR A 122 0.798 0.280
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 `HR5546A_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 1 is: 0.630
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 2 is: 0.594
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 3 is: 0.587
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 4 is: 0.695
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 5 is: 0.599
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 6 is: 0.770
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 7 is: 1.076
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 8 is: 0.649
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 9 is: 0.569
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 10 is: 0.736
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 11 is: 0.869
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 12 is: 0.566 (*)
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 13 is: 0.587
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 14 is: 0.638
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 15 is: 0.626
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 16 is: 0.632
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 17 is: 0.724
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 18 is: 0.690
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 19 is: 0.673
> Kabsch RMSD of backbone atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 20 is: 0.689
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[15..31],[34..37],[42..47],[54..56],[61..72],[78..79],[86..91],[101..106],[110..116], is: 0.680
> Range of RMSD values to reference struct. is 0.566 to 1.076
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 1 is: 0.936
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 2 is: 0.936
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 3 is: 0.936 (*)
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 4 is: 1.027
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 5 is: 1.018
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 6 is: 1.076
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 7 is: 1.408
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 8 is: 1.066
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 9 is: 0.977
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 10 is: 1.022
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 11 is: 1.191
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 12 is: 1.069
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 13 is: 0.958
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 14 is: 0.982
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 15 is: 1.002
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 16 is: 1.023
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 17 is: 1.167
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 18 is: 1.071
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 19 is: 1.016
> Kabsch RMSD of heavy atoms in res. A[15..31],A[34..37],A[42..47],A[54..56],A[61..72],A[78..79],A[86..91],A[101..106],A[110..116],for model 20 is: 1.110
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[15..31],[34..37],[42..47],[54..56],[61..72],[78..79],[86..91],[101..106],[110..116], is: 1.050
> Range of RMSD values to reference struct. is 0.936 to 1.408
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..122],for model 1 is: 2.813
> Kabsch RMSD of backb atoms in res. *[1..122],for model 2 is: 2.304
> Kabsch RMSD of backb atoms in res. *[1..122],for model 3 is: 3.921
> Kabsch RMSD of backb atoms in res. *[1..122],for model 4 is: 3.206
> Kabsch RMSD of backb atoms in res. *[1..122],for model 5 is: 2.250
> Kabsch RMSD of backb atoms in res. *[1..122],for model 6 is: 4.361
> Kabsch RMSD of backb atoms in res. *[1..122],for model 7 is: 3.461
> Kabsch RMSD of backb atoms in res. *[1..122],for model 8 is: 3.166
> Kabsch RMSD of backb atoms in res. *[1..122],for model 9 is: 2.812
> Kabsch RMSD of backb atoms in res. *[1..122],for model 10 is: 2.259
> Kabsch RMSD of backb atoms in res. *[1..122],for model 11 is: 2.927
> Kabsch RMSD of backb atoms in res. *[1..122],for model 12 is: 2.294
> Kabsch RMSD of backb atoms in res. *[1..122],for model 13 is: 2.664
> Kabsch RMSD of backb atoms in res. *[1..122],for model 14 is: 1.538 (*)
> Kabsch RMSD of backb atoms in res. *[1..122],for model 15 is: 1.575
> Kabsch RMSD of backb atoms in res. *[1..122],for model 16 is: 1.886
> Kabsch RMSD of backb atoms in res. *[1..122],for model 17 is: 3.861
> Kabsch RMSD of backb atoms in res. *[1..122],for model 18 is: 1.936
> Kabsch RMSD of backb atoms in res. *[1..122],for model 19 is: 4.284
> Kabsch RMSD of backb atoms in res. *[1..122],for model 20 is: 2.323
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..122], is: 2.792
> Range of RMSD values to reference struct. is 1.538 to 4.361
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 1 is: 3.161
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 2 is: 2.661
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 3 is: 4.279
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 4 is: 3.693
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 5 is: 2.701
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 6 is: 4.707
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 7 is: 3.661
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 8 is: 3.389
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 9 is: 3.106
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 10 is: 2.649
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 11 is: 3.235
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 12 is: 2.637
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 13 is: 3.019
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 14 is: 2.044 (*)
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 15 is: 2.101
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 16 is: 2.278
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 17 is: 4.088
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 18 is: 2.305
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 19 is: 4.481
> Kabsch RMSD of heavy atoms in res. *[1..122],for model 20 is: 2.794
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..122], is: 3.149
> Range of RMSD values to reference struct. is 2.044 to 4.707
Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues
RMSD Values
all residues ordered residues selected residues
All backbone atoms 2.8 0.7 0.7
All heavy atoms 3.1 1.1 1.1
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 >>>----------+
| |
| HR5546A_NMR_em_bcr3_020.rin 0.0 1460 residues |
| |
+| Ramachandran plot: 83.1% core 16.9% allow 0.0% gener 0.0% disall |
| |
*| All Ramachandrans: 47 labelled residues (out of1460) |
*| Chi1-chi2 plots: 41 labelled residues (out of1000) |
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
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
15 -0.52
16 -0.25
17 -0.81
18 -0.92
19 -1.35
20 -0.23
21 -0.30
22 -0.59
23 0.13
24 -1.96
25 -1.38
26 -0.12
27 -0.30
28 -0.65
29 -1.22
30 -0.92
31 -0.46
32 -1.21
34 -0.72
35 -0.63
36 -0.81
37 -0.48
42 -1.17
43 -0.98
44 -0.62
45 -0.62
46 -0.86
47 -0.87
53 -0.56
54 -0.49
55 -1.17
56 -0.42
57 -1.16
58 -0.25
59 -2.49
60 -0.82
61 -0.54
62 -0.11
63 -0.85
64 -1.33
65 -1.12
66 0.69
67 -0.39
68 -0.74
69 -0.32
70 0.04
71 -1.22
72 -0.64
75 -1.06
76 -0.46
77 -0.53
78 -2.61
79 -1.07
85 -0.91
86 -0.55
87 -0.32
88 -1.72
89 -1.01
90 -0.10
91 -0.69
101 -0.55
102 -0.03
103 0.10
104 -0.51
105 -0.40
106 -0.85
110 -1.08
111 -0.57
112 -2.15
113 -0.98
114 -0.84
115 -1.06
116 -1.13
#Reported_Model_Average -0.764
#Overall_Average_Reported -0.764
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
15 -0.20
16 -0.02
17 -0.41
18 -0.17
19 -0.48
20 0.07
21 -0.47
22 -0.71
23 -0.28
24 -1.96
25 -0.37
26 -0.18
27 0.12
28 -0.08
29 -1.39
30 -0.09
31 -0.26
32 -0.71
34 0.10
35 -0.02
36 -0.95
37 -0.03
42 -1.34
43 -0.12
44 -0.11
45 -1.09
46 -0.20
47 0.07
53 -0.82
54 0.08
55 -0.34
56 0.12
57 -0.46
58 -0.57
59 -1.27
60 -0.61
61 -0.59
62 -0.19
63 -1.34
64 -0.16
65 -1.12
66 0.69
67 -0.34
68 -0.31
69 -0.63
70 0.14
71 -0.64
72 0.00
75 -0.55
76 -0.46
77 -0.53
78 -1.49
79 -0.44
85 -0.92
86 0.10
87 -1.30
88 -2.00
89 0.01
90 -0.22
91 -0.20
101 0.02
102 0.00
103 -0.04
104 0.17
105 0.35
106 -0.61
110 -0.79
111 0.11
112 -0.97
113 -0.98
114 -0.58
115 -0.38
116 -0.36
#Reported_Model_Average -0.434
#Overall_Average_Reported -0.434
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
15 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71
16 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04
17 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
18 -0.68 -0.68 0.41 -0.42 -0.68 -0.68 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 -0.42 -0.42 -0.68 0.41 -0.68 -0.42 -0.42
19 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
20 1.07 1.50 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.50 1.07 1.50 1.07 1.07 1.07 1.50 1.50 1.07 1.50
21 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
22 -0.80 -0.80 -0.80 -0.74 -0.80 -0.09 -0.74 -0.74 -0.80 -0.80 -0.80 -0.74 -0.74 -0.74 -0.80 -0.74 -0.80 -0.74 -0.80 -0.74
23 0.23 0.23 0.51 0.51 0.51 0.51 0.23 0.23 0.23 0.23 0.51 0.23 0.51 0.23 0.23 0.23 0.51 0.51 0.51 0.23
24 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
25 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
26 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37
27 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
28 0.84 0.84 0.84 0.84 0.19 0.19 0.84 0.84 0.84 0.19 0.19 0.84 0.84 0.84 0.19 0.84 0.84 0.84 0.84 0.84
29 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
30 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.35 0.35 0.55 0.55 0.35 0.35 0.55 0.35 0.55 0.35 0.35 0.55
31 -0.26 -0.33 -0.33 -0.33 -0.26 -0.26 -0.33 -0.26 -0.33 -0.26 -0.26 -0.33 -0.26 -0.26 -0.26 -0.33 -0.33 -0.33 -0.33 -0.26
32 0.08 0.55 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.55 0.55 0.08 0.08 0.08 0.55
34 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04
35 -0.03 -0.03 0.25 0.25 0.25 -0.03 -0.03 0.25 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 0.25 0.25 -0.03 0.25 -0.03
36 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51
37 0.52 0.52 0.52 0.52 0.52 0.10 -0.79 0.52 0.52 0.10 0.52 0.52 0.52 0.52 -0.79 0.52 0.52 0.10 0.52 0.52
42 1.62 1.12 1.12 1.12 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.12 1.12 1.12 1.62 1.62 1.62 1.12 1.62 1.62
43 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
44 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
45 0.26 1.07 -0.35 0.09 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 -0.35 1.07 0.09 0.26
46 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -0.41 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52
47 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
53 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
54 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 0.65 0.49 0.49 0.49 0.49 0.49 0.49
55 1.09 1.30 1.09 1.30 1.30 1.30 1.30 1.30 1.09 1.30 0.17 1.09 1.09 1.30 1.09 1.30 1.09 1.30 1.30 1.09
56 0.55 0.55 0.55 -1.54 -1.54 -1.54 0.55 0.55 0.55 0.55 -1.54 0.55 -1.54 0.55 0.55 0.55 0.55 -1.54 0.55 0.55
57 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52
58 0.08 0.08 0.08 0.55 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08
59 0.34 0.59 0.17 0.17 0.59 0.17 0.34 0.17 0.17 0.34 0.17 0.59 0.17 0.17 0.34 0.59 0.17 0.34 0.17 0.34
60 0.71 0.71 0.71 0.24 0.71 0.71 0.71 0.71 0.24 0.24 0.24 0.24 0.71 0.24 0.71 0.71 0.71 0.71 0.24 0.24
61 1.14 1.25 1.25 1.14 1.14 1.25 1.14 1.25 1.25 1.25 1.14 0.52 1.25 1.14 1.25 1.25 1.14 1.14 1.14 1.14
62 0.08 -1.66 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 -1.66 0.08
63 1.07 1.07 0.36 1.07 0.14 1.07 1.07 1.07 1.07 0.36 0.36 1.07 1.07 0.14 1.07 0.36 0.36 0.36 1.07 0.36
64 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47
65 0.14 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 0.14 -0.25 -0.25 -0.25 0.14 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25
66 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
67 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 -2.38 0.10 0.10 0.10 0.10
68 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 0.95 0.79 0.79 0.79 0.79 0.79
69 0.71 1.18 1.18 0.71 0.71 1.18 0.71 0.71 1.18 1.18 1.18 1.18 1.18 0.71 0.71 0.71 1.18 0.71 0.71 0.71
70 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
71 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
72 0.83 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.83 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07
75 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.41 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.41
76 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
77 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
78 -0.74 -0.74 -0.09 -0.74 -0.09 -0.80 -0.09 -0.74 -0.09 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
79 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
85 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.51 0.51 0.34 0.51 0.51 0.51 0.51 0.34 0.34 0.51 0.51
86 0.36 0.14 1.07 0.36 1.07 1.07 0.36 0.36 0.36 0.36 1.07 0.36 1.07 0.36 1.07 0.36 1.07 0.36 1.07 0.36
87 1.07 1.07 0.26 1.07 1.07 1.07 0.26 1.07 0.26 1.07 0.26 0.26 1.07 0.26 1.07 1.07 1.07 1.07 0.26 0.26
88 1.62 0.96 0.96 0.96 0.96 0.96 0.96 1.62 0.96 1.62 1.62 1.62 0.96 0.96 0.96 1.62 0.96 0.96 1.62 1.62
89 0.47 0.47 -0.10 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10 -0.10 -0.10 0.47
90 0.41 0.51 0.51 0.41 0.51 0.51 0.51 0.41 -0.26 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
91 -0.57 -0.87 -0.57 -0.87 -0.57 -0.57 0.10 -0.87 0.25 -0.57 0.25 0.25 -0.57 -0.87 -0.84 -0.87 -0.57 0.25 -0.84 0.25
101 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.35 0.35 0.35 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
102 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
103 0.26 1.07 0.26 1.07 0.26 1.07 1.07 0.26 1.07 0.26 0.26 0.26 1.07 1.07 0.26 1.07 0.26 0.26 0.26 1.07
104 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
105 0.35 0.35 0.55 0.35 0.35 0.35 0.55 0.35 0.35 0.35 0.55 0.35 0.55 0.55 0.35 0.55 0.35 0.35 0.35 0.35
106 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 0.09 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.56 -0.26
110 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28
111 0.41 -0.42 -0.42 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 -0.68 -0.68 0.41 0.41 0.41 0.41
112 0.08 0.08 0.08 0.08 0.08 0.44 0.44 0.08 0.08 0.08 0.08 0.44 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
113 0.14 0.59 0.14 -0.52 -0.52 0.59 0.14 0.59 -0.52 0.59 -0.52 0.59 0.14 0.59 -0.52 -0.52 0.59 0.59 -0.52 0.59
114 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
115 0.19 0.84 0.19 0.84 0.84 0.19 0.19 0.84 0.84 0.84 0.84 0.19 0.19 0.84 0.19 0.84 0.84 0.84 0.19 0.84
116 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
#Reported_Model_Average 0.468 0.465 0.445 0.427 0.440 0.468 0.464 0.492 0.441 0.432 0.432 0.498 0.471 0.436 0.413 0.423 0.480 0.438 0.409 0.480
#Overall_Average_Reported 0.451
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
15 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71
16 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04 -0.04
17 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
18 -0.68 -0.68 0.41 -0.42 -0.68 -0.68 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 -0.42 -0.42 -0.68 0.41 -0.68 -0.42 -0.42
19 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
20 1.07 1.50 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.50 1.07 1.50 1.07 1.07 1.07 1.50 1.50 1.07 1.50
21 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
22 -0.80 -0.80 -0.80 -0.74 -0.80 -0.09 -0.74 -0.74 -0.80 -0.80 -0.80 -0.74 -0.74 -0.74 -0.80 -0.74 -0.80 -0.74 -0.80 -0.74
23 0.23 0.23 0.51 0.51 0.51 0.51 0.23 0.23 0.23 0.23 0.51 0.23 0.51 0.23 0.23 0.23 0.51 0.51 0.51 0.23
24 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
25 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
26 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37
27 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
28 0.84 0.84 0.84 0.84 0.19 0.19 0.84 0.84 0.84 0.19 0.19 0.84 0.84 0.84 0.19 0.84 0.84 0.84 0.84 0.84
29 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
30 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.35 0.35 0.55 0.55 0.35 0.35 0.55 0.35 0.55 0.35 0.35 0.55
31 -0.26 -0.33 -0.33 -0.33 -0.26 -0.26 -0.33 -0.26 -0.33 -0.26 -0.26 -0.33 -0.26 -0.26 -0.26 -0.33 -0.33 -0.33 -0.33 -0.26
32 0.08 0.55 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.55 0.55 0.08 0.08 0.08 0.55
34 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04
35 -0.03 -0.03 0.25 0.25 0.25 -0.03 -0.03 0.25 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 0.25 0.25 -0.03 0.25 -0.03
36 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51
37 0.52 0.52 0.52 0.52 0.52 0.10 -0.79 0.52 0.52 0.10 0.52 0.52 0.52 0.52 -0.79 0.52 0.52 0.10 0.52 0.52
42 1.62 1.12 1.12 1.12 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.12 1.12 1.12 1.62 1.62 1.62 1.12 1.62 1.62
43 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
44 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
45 0.26 1.07 -0.35 0.09 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 -0.35 1.07 0.09 0.26
46 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -0.41 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52 -1.52
47 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
53 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
54 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 0.65 0.49 0.49 0.49 0.49 0.49 0.49
55 1.09 1.30 1.09 1.30 1.30 1.30 1.30 1.30 1.09 1.30 0.17 1.09 1.09 1.30 1.09 1.30 1.09 1.30 1.30 1.09
56 0.55 0.55 0.55 -1.54 -1.54 -1.54 0.55 0.55 0.55 0.55 -1.54 0.55 -1.54 0.55 0.55 0.55 0.55 -1.54 0.55 0.55
57 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52 0.52
58 0.08 0.08 0.08 0.55 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08
59 0.34 0.59 0.17 0.17 0.59 0.17 0.34 0.17 0.17 0.34 0.17 0.59 0.17 0.17 0.34 0.59 0.17 0.34 0.17 0.34
60 0.71 0.71 0.71 0.24 0.71 0.71 0.71 0.71 0.24 0.24 0.24 0.24 0.71 0.24 0.71 0.71 0.71 0.71 0.24 0.24
61 1.14 1.25 1.25 1.14 1.14 1.25 1.14 1.25 1.25 1.25 1.14 0.52 1.25 1.14 1.25 1.25 1.14 1.14 1.14 1.14
62 0.08 -1.66 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 -1.66 0.08
63 1.07 1.07 0.36 1.07 0.14 1.07 1.07 1.07 1.07 0.36 0.36 1.07 1.07 0.14 1.07 0.36 0.36 0.36 1.07 0.36
64 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47
65 0.14 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 0.14 -0.25 -0.25 -0.25 0.14 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25
66 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
67 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 -2.38 0.10 0.10 0.10 0.10
68 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 0.95 0.79 0.79 0.79 0.79 0.79
69 0.71 1.18 1.18 0.71 0.71 1.18 0.71 0.71 1.18 1.18 1.18 1.18 1.18 0.71 0.71 0.71 1.18 0.71 0.71 0.71
70 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
71 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
72 0.83 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.83 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07
75 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.41 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.41
76 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
77 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
78 -0.74 -0.74 -0.09 -0.74 -0.09 -0.80 -0.09 -0.74 -0.09 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
79 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
85 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.51 0.51 0.34 0.51 0.51 0.51 0.51 0.34 0.34 0.51 0.51
86 0.36 0.14 1.07 0.36 1.07 1.07 0.36 0.36 0.36 0.36 1.07 0.36 1.07 0.36 1.07 0.36 1.07 0.36 1.07 0.36
87 1.07 1.07 0.26 1.07 1.07 1.07 0.26 1.07 0.26 1.07 0.26 0.26 1.07 0.26 1.07 1.07 1.07 1.07 0.26 0.26
88 1.62 0.96 0.96 0.96 0.96 0.96 0.96 1.62 0.96 1.62 1.62 1.62 0.96 0.96 0.96 1.62 0.96 0.96 1.62 1.62
89 0.47 0.47 -0.10 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10 -0.10 -0.10 0.47
90 0.41 0.51 0.51 0.41 0.51 0.51 0.51 0.41 -0.26 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
91 -0.57 -0.87 -0.57 -0.87 -0.57 -0.57 0.10 -0.87 0.25 -0.57 0.25 0.25 -0.57 -0.87 -0.84 -0.87 -0.57 0.25 -0.84 0.25
101 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.35 0.35 0.35 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
102 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
103 0.26 1.07 0.26 1.07 0.26 1.07 1.07 0.26 1.07 0.26 0.26 0.26 1.07 1.07 0.26 1.07 0.26 0.26 0.26 1.07
104 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
105 0.35 0.35 0.55 0.35 0.35 0.35 0.55 0.35 0.35 0.35 0.55 0.35 0.55 0.55 0.35 0.55 0.35 0.35 0.35 0.35
106 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 0.09 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.56 -0.26
110 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28
111 0.41 -0.42 -0.42 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 -0.68 -0.68 0.41 0.41 0.41 0.41
112 0.08 0.08 0.08 0.08 0.08 0.44 0.44 0.08 0.08 0.08 0.08 0.44 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
113 0.14 0.59 0.14 -0.52 -0.52 0.59 0.14 0.59 -0.52 0.59 -0.52 0.59 0.14 0.59 -0.52 -0.52 0.59 0.59 -0.52 0.59
114 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
115 0.19 0.84 0.19 0.84 0.84 0.19 0.19 0.84 0.84 0.84 0.84 0.19 0.19 0.84 0.19 0.84 0.84 0.84 0.19 0.84
116 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
#Reported_Model_Average 0.468 0.465 0.445 0.427 0.440 0.468 0.464 0.492 0.441 0.432 0.432 0.498 0.471 0.436 0.413 0.423 0.480 0.438 0.409 0.480
#Overall_Average_Reported 0.451
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
15.000 1 1 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
16.000 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0
17.000 1 3 4 2 3 2 6 6 1 1 2 3 3 1 0 0 1 2 0 0
18.000 0 0 0 1 0 0 0 0 1 2 0 0 0 0 0 0 0 1 0 0
19.000 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0
20.000 1 2 3 3 1 1 2 1 1 5 2 2 2 0 3 3 3 2 2 2
21.000 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0
22.000 0 0 0 1 0 0 1 1 0 0 0 0 3 0 0 1 1 0 0 0
23.000 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0
24.000 0 1 0 1 1 1 2 1 0 0 0 2 0 2 0 0 0 0 2 1
25.000 0 0 0 0 0 3 0 0 2 0 0 0 0 0 0 2 0 0 0 0
26.000 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0
27.000 0 3 3 3 1 1 2 1 2 0 2 3 4 0 1 2 2 2 2 3
28.000 0 1 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 2 0 0
29.000 3 2 6 1 1 4 4 5 4 4 2 4 4 2 2 2 2 4 2 2
30.000 1 0 0 1 0 1 0 0 2 1 1 0 0 0 0 0 1 1 3 2
31.000 1 1 1 1 1 0 1 0 0 0 0 0 0 1 0 0 1 0 1 0
32.000 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 1
34.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
35.000 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 2 2 0
36.000 0 0 0 0 1 0 0 1 0 0 0 0 3 3 0 0 1 2 1 0
37.000 0 1 1 0 2 0 0 0 0 0 0 0 1 0 0 0 3 0 2 1
42.000 1 0 0 0 3 1 0 0 1 0 3 0 1 0 0 0 0 0 1 0
43.000 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0
44.000 0 2 0 1 0 1 3 0 0 0 2 0 1 0 1 1 1 3 0 1
45.000 4 3 2 2 0 2 3 2 3 4 2 4 3 0 2 1 0 0 1 3
46.000 0 0 1 0 1 3 0 4 2 4 0 3 3 0 3 1 1 0 1 1
47.000 1 0 0 0 1 0 1 0 0 0 4 0 0 1 2 0 1 0 0 0
53.000 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1
54.000 1 1 0 1 0 1 0 2 0 1 1 1 0 0 0 1 0 1 0 1
55.000 1 1 1 1 1 1 0 0 1 0 0 1 0 0 0 1 0 0 1 0
56.000 0 2 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0
57.000 0 0 1 1 1 1 0 0 1 0 3 0 3 0 0 1 4 1 0 0
58.000 0 0 0 0 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0
59.000 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0
60.000 1 1 0 1 3 2 2 1 1 0 2 0 2 0 4 1 2 0 4 1
61.000 0 1 0 1 1 1 3 0 0 0 3 1 1 0 1 2 3 0 1 1
62.000 0 0 0 0 1 0 0 1 0 1 0 0 0 2 0 0 0 1 0 1
63.000 0 1 4 2 2 0 3 3 0 0 2 2 1 1 0 0 1 2 3 0
64.000 0 0 1 2 1 2 0 1 0 0 2 0 2 0 0 0 1 0 0 0
65.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0
66.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
67.000 0 0 4 3 2 4 1 3 0 4 3 0 0 0 2 2 2 0 1 0
68.000 1 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 1 1 2 2
69.000 1 0 1 0 0 1 0 2 1 1 0 0 2 0 0 0 0 0 0 0
70.000 1 1 1 0 0 1 0 0 2 0 1 0 1 2 1 1 0 0 0 0
71.000 0 3 2 3 2 3 1 0 2 1 2 0 4 1 2 0 0 2 0 5
72.000 2 2 0 1 2 0 2 1 0 2 1 1 1 1 0 3 0 0 1 2
75.000 0 3 1 2 1 0 0 0 1 0 0 0 2 1 0 0 0 0 0 0
76.000 1 0 0 0 1 0 1 0 0 2 0 0 2 0 1 1 0 0 0 0
77.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
78.000 1 0 0 0 0 0 0 0 0 1 0 1 1 0 1 0 0 0 0 0
79.000 1 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0
85.000 4 0 0 2 2 1 7 1 5 1 1 1 1 1 4 1 2 0 1 1
86.000 0 1 1 1 4 2 2 0 0 1 3 0 1 1 1 1 1 1 1 3
87.000 2 2 2 2 2 3 2 3 1 5 3 4 2 4 2 4 2 2 4 2
88.000 3 5 4 4 1 3 3 1 3 2 1 4 2 1 1 2 3 0 4 1
89.000 0 0 1 0 0 1 0 0 0 1 3 0 0 2 0 0 0 0 0 2
90.000 1 1 2 1 0 1 2 1 1 2 1 1 2 1 1 1 2 0 0 0
91.000 2 0 0 0 2 0 1 0 1 0 0 0 1 2 0 1 0 0 1 1
101.000 0 4 1 1 1 1 5 1 2 0 1 0 1 1 0 0 0 0 1 1
102.000 1 2 1 0 0 1 3 1 1 2 1 1 2 0 1 0 0 1 0 0
103.000 1 2 0 0 1 1 1 0 1 1 0 1 1 2 1 0 0 0 2 1
104.000 0 1 2 1 2 2 0 2 0 0 1 1 1 1 0 0 1 2 1 2
105.000 0 2 1 1 1 0 0 1 1 1 0 0 1 1 0 0 1 0 1 0
106.000 1 1 1 1 2 0 1 0 3 2 2 1 0 0 0 0 2 2 3 1
110.000 1 1 0 1 2 0 1 1 2 0 1 0 0 0 0 0 2 1 2 1
111.000 0 1 1 1 0 0 0 0 1 1 0 0 1 0 0 0 1 0 1 0
112.000 0 0 1 0 2 0 0 0 0 1 1 0 1 0 0 0 0 1 1 2
113.000 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 1 1 2 4
114.000 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0
115.000 0 0 0 0 0 0 2 0 0 0 2 0 0 1 1 0 1 0 1 0
116.000 0 0 1 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 3 0
#Reported_Model_Average 0.589 0.849 0.863 0.726 0.808 0.822 0.959 0.753 0.740 0.795 0.904 0.589 0.959 0.575 0.575 0.534 0.712 0.562 0.904 0.726
#Overall_Average_Reported 0.747
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 84 THR 2HG2 :A 82 PRO 2HB : -0.837: 64
: 1884:A 82 PRO 1HB :A 85 ASP H : -0.650: 64
: 1884:A 84 THR 2HG2 :A 82 PRO CB : -0.575: 64
: 1884:A 60 ARG NH2 :A 83 PRO 1HD : -0.525: 32
: 1884:A 85 ASP H :A 82 PRO CB : -0.514: 64
: 1884:A 83 PRO C :A 82 PRO 2HB : -0.483: 64
: 1884:A 70 THR O :A 85 ASP 2HB : -0.460: 72
: 1884:A 82 PRO 1HB :A 85 ASP N : -0.438: 64
: 1884:A 82 PRO CB :A 83 PRO C : -0.405: 64
: 1884:A 53 VAL 1HG1 :A 91 GLN 2HG : -0.799: 41
: 1884:A 74 ALA 3HB :A 92 ASN HA : -0.696: 21
: 1884:A 91 GLN NE2 :A 92 ASN O : -0.437: 64
: 1884:A 45 ILE HB :A 103 ILE HB : -0.712: 33
: 1884:A 54 SER 1HB :A 45 ILE 2HG1 : -0.636: 62
: 1884:A 45 ILE 2HD1 :A 45 ILE N : -0.523: 42
: 1884:A 17 ILE 3HD1 :A 102 VAL HB : -0.571: 54
: 1884:A 68 THR 2HG2 :A 30 LYS 2HG : -0.539: 40
: 1884:A 76 ALA 2HB :A 72 TRP 2HB : -0.530: 34
: 1884:A 87 ILE 2HG1 :A 72 TRP 1HB : -0.518: 31
: 1884:A 81 SER H :A 87 ILE 3HD1 : -0.504: 72
: 1884:A 88 TRP 2HB :A 73 ALA HA : -0.514: 65
: 1884:A 55 TYR 1HB :A 88 TRP CE2 : -0.489: 34
: 1884:A 88 TRP HD1 :A 90 ASN H : -0.489: 11
: 1884:A 42 TRP HE1 :A 12 THR HA : -0.477: 64
: 1884:A 106 ASN 1HB :A 110 GLU 2HG : -0.467: 65
: 1884:A 29 LEU N :A 29 LEU 2HD1 : -0.464: 51
: 1884:A 29 LEU 1HB :A 69 VAL 3HG1 : -0.461: 53
: 1884:A 20 ILE 1HG2 :A 100 VAL 1HG1 : -0.454: 31
: 1884:A 47 LYS O :A 100 VAL 3HG2 : -0.442: 33
: 1884:A 14 ASN 2HD2 :A 14 ASN C : -0.440: 45
: 1884:A 33 SER 1HB :A 14 ASN 2HB : -0.424: 34
: 1884:A 48 ILE 3HG2 :A 49 GLY N : -0.436: 4
: 1884:A 94 TRP CD1 :A 48 ILE 2HD1 : -0.418: 31
: 1884:A 15 VAL HA :A 31 ASN HA : -0.421: 64
: 1884:A 23 ASP O :A 95 GLY 1HA : -0.419: 21
: 1884:A 78 VAL 2HG1 :A 79 THR N : -0.407: 53
#sum2 ::19.11 clashscore : 13.74 clashscore B<40
#summary::1884 atoms:946 atoms B<40:213545 potential dots:13350.0 A^2:36 bumps:13 bumps B<40:457.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 120 LYS 1HE :A 120 LYS HA : -0.714: 10
: 1884:A 31 ASN 1HB :A 63 LEU 3HD2 : -0.685: 45
: 1884:A 60 ARG 2HG :A 61 TYR HD1 : -0.647: 71
: 1884:A 29 LEU HA :A 17 ILE HA : -0.592: 53
: 1884:A 16 CYS SG :A 17 ILE N : -0.465: 63
: 1884:A 15 VAL 2HG1 :A 29 LEU 2HB : -0.452: 44
: 1884:A 104 LEU 1HD1 :A 17 ILE 2HG1 : -0.422: 63
: 1884:A 101 LYS 1HB :A 101 LYS NZ : -0.560: 15
: 1884:A 101 LYS 1HB :A 101 LYS 2HZ : -0.411: 15
: 1884:A 71 ILE HA :A 86 LEU O : -0.547: 33
: 1884:A 37 GLN 1HG :A 35 GLN O : -0.547: 23
: 1884:A 88 TRP NE1 :A 55 TYR 1HB : -0.529: 72
: 1884:A 88 TRP NE1 :A 90 ASN 1HB : -0.489: 72
: 1884:A 88 TRP 2HB :A 73 ALA HA : -0.451: 43
: 1884:A 71 ILE 2HG2 :A 88 TRP 1HB : -0.430: 43
: 1884:A 71 ILE CG2 :A 88 TRP 1HB : -0.422: 43
: 1884:A 81 SER H :A 79 THR 2HG2 : -0.546: 52
: 1884:A 92 ASN N :A 92 ASN 2HD2 : -0.541: 52
: 1884:A 82 PRO CD :A 83 PRO HA : -0.525: 31
: 1884:A 82 PRO N :A 83 PRO HA : -0.523: 51
: 1884:A 82 PRO 1HB :A 84 THR N : -0.507: 73
: 1884:A 83 PRO HA :A 82 PRO 1HD : -0.402: 31
: 1884:A 40 GLY 1HA :A 11 MET 2HG : -0.520: 72
: 1884:A 28 ARG HA :A 70 THR HA : -0.508: 51
: 1884:A 45 ILE 2HD1 :A 45 ILE N : -0.500: 73
: 1884:A 103 ILE 1HG2 :A 105 LYS 1HE : -0.495: 33
: 1884:A 45 ILE HB :A 103 ILE HB : -0.437: 74
: 1884:A 105 LYS NZ :A 111 GLU 1HB : -0.428: 54
: 1884:A 110 GLU 1HG :A 106 ASN 1HB : -0.497: 34
: 1884:A 87 ILE 2HG1 :A 72 TRP 1HB : -0.496: 13
: 1884:A 72 TRP O :A 87 ILE HA : -0.444: 20
: 1884:A 102 VAL 1HG2 :A 27 ILE 3HD1 : -0.478: 31
: 1884:A 20 ILE 3HG2 :A 27 ILE 1HG1 : -0.470: 42
: 1884:A 20 ILE 1HG1 :A 27 ILE 3HG2 : -0.435: 44
: 1884:A 44 MET O :A 54 SER HA : -0.422: 62
: 1884:A 44 MET 2HG :A 102 VAL CG1 : -0.419: 63
: 1884:A 75 ASN 1HB :A 93 SER H : -0.440: 55
: 1884:A 75 ASN N :A 75 ASN 2HD2 : -0.432: 52
: 1884:A 48 ILE O :A 48 ILE 1HG1 : -0.422: 65
: 1884:A 99 ASP HA :A 117 THR OG1 : -0.411: 24
: 1884:A 24 GLY 1HA :A 94 TRP CE2 : -0.401: 34
: 1884:A 56 LYS 1HB :A 56 LYS NZ : -0.400: 43
#sum2 ::22.29 clashscore : 14.81 clashscore B<40
#summary::1884 atoms:945 atoms B<40:213365 potential dots:13340.0 A^2:42 bumps:14 bumps B<40:381.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 117 THR 2HG2 :A 20 ILE HB : -0.800: 42
: 1884:A 20 ILE 1HG1 :A 27 ILE 3HG2 : -0.703: 74
: 1884:A 99 ASP HA :A 117 THR OG1 : -0.555: 41
: 1884:A 20 ILE 3HG2 :A 27 ILE 1HG1 : -0.451: 51
: 1884:A 102 VAL 1HG2 :A 27 ILE 3HD1 : -0.406: 52
: 1884:A 88 TRP HH2 :A 46 ARG 1HB : -0.692: 64
: 1884:A 88 TRP HE1 :A 90 ASN 1HB : -0.566: 33
: 1884:A 88 TRP NE1 :A 90 ASN 1HB : -0.484: 33
: 1884:A 88 TRP NE1 :A 55 TYR 1HB : -0.431: 31
: 1884:A 104 LEU 1HD1 :A 17 ILE 2HG1 : -0.626: 51
: 1884:A 29 LEU N :A 29 LEU 2HD1 : -0.455: 74
: 1884:A 17 ILE 2HG1 :A 104 LEU CD1 : -0.438: 51
: 1884:A 17 ILE 1HG1 :A 29 LEU HG : -0.425: 73
: 1884:A 15 VAL 2HG1 :A 29 LEU 2HB : -0.414: 54
: 1884:A 15 VAL CG1 :A 29 LEU 2HB : -0.408: 54
: 1884:A 29 LEU HA :A 17 ILE HA : -0.406: 51
: 1884:A 39 MET 2HB :A 59 SER HA : -0.605: 43
: 1884:A 37 GLN NE2 :A 11 MET 2HB : -0.566: 55
: 1884:A 89 LYS HA :A 74 ALA 2HB : -0.561: 30
: 1884:A 74 ALA 3HB :A 92 ASN HA : -0.456: 71
: 1884:A 69 VAL HB :A 63 LEU 1HD2 : -0.544: 40
: 1884:A 64 LYS 1HB :A 67 GLN 1HB : -0.491: 15
: 1884:A 67 GLN HA :A 67 GLN 2HE2 : -0.479: 73
: 1884:A 67 GLN 2HB :A 63 LEU 3HD1 : -0.447: 13
: 1884:A 63 LEU 2HD2 :A 63 LEU HA : -0.401: 62
: 1884:A 87 ILE N :A 87 ILE 2HD1 : -0.535: 74
: 1884:A 112 VAL 3HG1 :A 106 ASN OD1 : -0.526: 51
: 1884:A 101 LYS HA :A 116 SER HA : -0.515: 54
: 1884:A 45 ILE 2HD1 :A 45 ILE N : -0.507: 43
: 1884:A 86 LEU 1HB :A 71 ILE 3HD1 : -0.466: 54
: 1884:A 57 TYR HE2 :A 71 ILE 1HD1 : -0.458: 40
: 1884:A 82 PRO N :A 83 PRO HA : -0.454: 62
: 1884:A 75 ASN O :A 93 SER 2HB : -0.440: 32
: 1884:A 26 PHE 1HB :A 70 THR CG2 : -0.427: 74
: 1884:A 43 GLU HA :A 56 LYS HA : -0.421: 64
: 1884:A 105 LYS 1HG :A 111 GLU 1HB : -0.414: 41
: 1884:A 66 GLY 1HA :A 31 ASN O : -0.411: 44
#sum2 ::19.64 clashscore : 7.08 clashscore B<40
#summary::1884 atoms:989 atoms B<40:213519 potential dots:13340.0 A^2:37 bumps:7 bumps B<40:354.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 20 ILE 3HG2 :A 27 ILE 1HG1 : -0.774: 54
: 1884:A 20 ILE 1HG1 :A 27 ILE 3HG2 : -0.739: 61
: 1884:A 20 ILE HB :A 117 THR HB : -0.543: 21
: 1884:A 71 ILE HA :A 86 LEU O : -0.528: 74
: 1884:A 71 ILE CG2 :A 88 TRP 1HB : -0.446: 13
: 1884:A 88 TRP HD1 :A 90 ASN H : -0.443: 12
: 1884:A 55 TYR 1HB :A 88 TRP CE2 : -0.434: 3
: 1884:A 27 ILE HB :A 71 ILE HB : -0.433: 32
: 1884:A 72 TRP O :A 88 TRP N : -0.400: 65
: 1884:A 104 LEU 1HD1 :A 17 ILE 2HG1 : -0.754: 70
: 1884:A 29 LEU HA :A 17 ILE HA : -0.471: 13
: 1884:A 119 PHE HA :A 22 VAL 3HG2 : -0.634: 63
: 1884:A 119 PHE HE1 :A 100 VAL 2HG1 : -0.447: 53
: 1884:A 67 GLN HA :A 67 GLN 2HE2 : -0.625: 64
: 1884:A 63 LEU 2HD1 :A 31 ASN 1HB : -0.584: 44
: 1884:A 67 GLN 2HB :A 63 LEU 3HD1 : -0.454: 61
: 1884:A 30 LYS 1HB :A 18 GLU 1HB : -0.605: 44
: 1884:A 85 ASP H :A 84 THR 3HG2 : -0.553: 44
: 1884:A 84 THR 3HG2 :A 85 ASP N : -0.417: 44
: 1884:A 87 ILE N :A 87 ILE 2HD1 : -0.544: 42
: 1884:A 64 LYS 2HB :A 64 LYS NZ : -0.544: 45
: 1884:A 24 GLY 1HA :A 94 TRP CE2 : -0.523: 30
: 1884:A 60 ARG 2HG :A 61 TYR HD1 : -0.516: 32
: 1884:A 75 ASN N :A 75 ASN 2HD2 : -0.509: 76
: 1884:A 45 ILE 2HD1 :A 45 ILE N : -0.495: 76
: 1884:A 39 MET SD :A 57 TYR 2HB : -0.492: 30
: 1884:A 39 MET 2HB :A 59 SER HA : -0.476: 13
: 1884:A 39 MET CE :A 39 MET HA : -0.405: 51
: 1884:A 33 SER 2HB :A 14 ASN 1HB : -0.490: 31
: 1884:A 83 PRO HA :A 82 PRO CB : -0.468: 76
: 1884:A 44 MET O :A 54 SER HA : -0.453: 33
: 1884:A 105 LYS 1HG :A 111 GLU HA : -0.437: 25
: 1884:A 116 SER 1HB :A 101 LYS HA : -0.424: 44
: 1884:A 106 ASN OD1 :A 110 GLU 2HG : -0.415: 74
#sum2 ::18.05 clashscore : 13.82 clashscore B<40
#summary::1884 atoms:941 atoms B<40:213324 potential dots:13330.0 A^2:34 bumps:13 bumps B<40:407.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 86 LEU 3HD2 :A 82 PRO 2HG : -0.701: 53
: 1884:A 60 ARG 1HH1 :A 82 PRO 1HG : -0.685: 53
: 1884:A 60 ARG NH1 :A 82 PRO 1HG : -0.636: 53
: 1884:A 76 ALA 2HB :A 72 TRP 2HB : -0.569: 73
: 1884:A 82 PRO 2HG :A 86 LEU CD2 : -0.537: 53
: 1884:A 86 LEU 1HB :A 71 ILE 3HD1 : -0.521: 73
: 1884:A 85 ASP O :A 82 PRO 2HD : -0.461: 54
: 1884:A 60 ARG 1HD :A 82 PRO 1HG : -0.444: 53
: 1884:A 71 ILE HA :A 86 LEU O : -0.419: 43
: 1884:A 72 TRP CD1 :A 85 ASP 2HB : -0.415: 61
: 1884:A 62 VAL HA :A 38 PRO HA : -0.692: 63
: 1884:A 13 GLY 1HA :A 37 GLN 2HG : -0.501: 62
: 1884:A 38 PRO 2HD :A 37 GLN HA : -0.457: 53
: 1884:A 57 TYR 1HB :A 42 TRP H : -0.678: 50
: 1884:A 112 VAL 1HG2 :A 42 TRP HZ3 : -0.673: 61
: 1884:A 112 VAL 1HG2 :A 42 TRP CZ3 : -0.500: 61
: 1884:A 20 ILE 3HG2 :A 27 ILE 1HG1 : -0.602: 62
: 1884:A 98 GLU H :A 96 THR 3HG2 : -0.599: 33
: 1884:A 63 LEU 2HD1 :A 31 ASN 2HB : -0.580: 44
: 1884:A 63 LEU 3HD2 :A 61 TYR HE2 : -0.436: 73
: 1884:A 106 ASN 1HB :A 110 GLU CG : -0.572: 10
: 1884:A 106 ASN 1HB :A 110 GLU 2HG : -0.522: 10
: 1884:A 104 LEU 1HD2 :A 29 LEU 1HD2 : -0.541: 54
: 1884:A 17 ILE N :A 17 ILE 2HD1 : -0.484: 72
: 1884:A 17 ILE 1HD1 :A 104 LEU HG : -0.454: 55
: 1884:A 87 ILE N :A 87 ILE 2HD1 : -0.522: 34
: 1884:A 94 TRP O :A 24 GLY 2HA : -0.521: 63
: 1884:A 36 ASP OD2 :A 64 LYS 1HG : -0.498: 43
: 1884:A 103 ILE 1HG2 :A 105 LYS 1HE : -0.477: 61
: 1884:A 47 LYS 1HG :A 52 SER 1HB : -0.471: 20
: 1884:A 50 ASP 2HB :A 49 GLY O : -0.466: 44
: 1884:A 91 GLN OE1 :A 53 VAL 1HG1 : -0.464: 42
: 1884:A 46 ARG 2HH2 :A 91 GLN CD : -0.408: 11
: 1884:A 40 GLY 1HA :A 59 SER 2HB : -0.450: 52
: 1884:A 39 MET CE :A 39 MET HA : -0.437: 21
: 1884:A 55 TYR 1HB :A 88 TRP CE2 : -0.431: 34
: 1884:A 10 HIS 1HB :A 9 SER O : -0.427: 61
: 1884:A 67 GLN N :A 67 GLN NE2 : -0.425: 73
: 1884:A 114 GLN OE1 :A 101 LYS NZ : -0.408: 24
: 1884:A 92 ASN 2HB :A 75 ASN ND2 : -0.403: 22
: 1884:A 100 VAL 3HG2 :A 48 ILE HB : -0.402: 62
#sum2 ::21.76 clashscore : 10.25 clashscore B<40
#summary::1884 atoms:976 atoms B<40:213221 potential dots:13330.0 A^2:41 bumps:10 bumps B<40:379.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 101 LYS 1HE :A 103 ILE 1HD1 : -0.892: 61
: 1884:A 102 VAL 2HG2 :A 46 ARG 2HG : -0.734: 54
: 1884:A 100 VAL 1HG1 :A 46 ARG 1HH2 : -0.623: 44
: 1884:A 46 ARG NE :A 100 VAL 1HG2 : -0.409: 61
: 1884:A 82 PRO 1HB :A 60 ARG 1HD : -0.680: 30
: 1884:A 60 ARG 2HG :A 61 TYR HD1 : -0.565: 43
: 1884:A 58 THR 1HG2 :A 82 PRO 1HG : -0.543: 54
: 1884:A 84 THR 2HG2 :A 82 PRO HA : -0.535: 61
: 1884:A 83 PRO HA :A 82 PRO 2HB : -0.510: 5
: 1884:A 83 PRO HA :A 82 PRO CB : -0.487: 5
: 1884:A 58 THR CG2 :A 82 PRO 1HG : -0.423: 54
: 1884:A 67 GLN N :A 67 GLN 2HE2 : -0.652: 54
: 1884:A 67 GLN CA :A 67 GLN 2HE2 : -0.417: 54
: 1884:A 29 LEU 1HB :A 69 VAL 3HG1 : -0.568: 75
: 1884:A 113 ALA 3HB :A 104 LEU 2HD1 : -0.475: 53
: 1884:A 29 LEU HA :A 17 ILE HA : -0.447: 44
: 1884:A 29 LEU 2HD1 :A 29 LEU N : -0.421: 72
: 1884:A 104 LEU 1HD1 :A 17 ILE 2HG1 : -0.403: 42
: 1884:A 21 ASP 2HB :A 26 PHE O : -0.544: 45
: 1884:A 30 LYS HA :A 68 THR HA : -0.533: 13
: 1884:A 87 ILE 2HD1 :A 85 ASP O : -0.523: 43
: 1884:A 87 ILE N :A 87 ILE 2HD1 : -0.456: 51
: 1884:A 45 ILE 2HD1 :A 45 ILE N : -0.512: 64
: 1884:A 28 ARG HA :A 70 THR HA : -0.500: 74
: 1884:A 20 ILE 1HG1 :A 27 ILE 3HG2 : -0.482: 62
: 1884:A 24 GLY C :A 25 LYS 1HD : -0.473: 11
: 1884:A 25 LYS 1HD :A 25 LYS N : -0.458: 42
: 1884:A 57 TYR 1HB :A 42 TRP 1HB : -0.467: 52
: 1884:A 71 ILE CG2 :A 88 TRP 1HB : -0.459: 15
: 1884:A 88 TRP NE1 :A 55 TYR 1HB : -0.443: 74
: 1884:A 88 TRP NE1 :A 90 ASN 1HB : -0.435: 74
: 1884:A 71 ILE HA :A 86 LEU O : -0.420: 50
: 1884:A 86 LEU 1HB :A 71 ILE 3HD1 : -0.420: 14
: 1884:A 64 LYS 2HB :A 64 LYS NZ : -0.457: 2
: 1884:A 1 MET C :A 1 MET SD : -0.427: 63
: 1884:A 99 ASP HA :A 117 THR OG1 : -0.423: 61
: 1884:A 44 MET O :A 54 SER HA : -0.418: 73
: 1884:A 33 SER 1HB :A 14 ASN 2HB : -0.417: 64
: 1884:A 89 LYS 2HD :A 80 ALA 1HB : -0.413: 52
#sum2 ::20.70 clashscore : 8.41 clashscore B<40
#summary::1884 atoms:951 atoms B<40:213360 potential dots:13340.0 A^2:39 bumps:8 bumps B<40:410.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 17 ILE 2HG1 :A 29 LEU HG : -0.834: 72
: 1884:A 17 ILE N :A 17 ILE 2HD1 : -0.554: 45
: 1884:A 29 LEU N :A 29 LEU 2HD1 : -0.496: 31
: 1884:A 29 LEU HA :A 17 ILE HA : -0.450: 51
: 1884:A 17 ILE H :A 17 ILE 2HD1 : -0.434: 45
: 1884:A 76 ALA 2HB :A 72 TRP 2HB : -0.753: 24
: 1884:A 84 THR 2HG2 :A 82 PRO 2HB : -0.660: 15
: 1884:A 82 PRO 1HG :A 85 ASP 1HB : -0.631: 63
: 1884:A 85 ASP H :A 84 THR 3HG2 : -0.612: 43
: 1884:A 85 ASP O :A 82 PRO 1HB : -0.523: 12
: 1884:A 83 PRO C :A 82 PRO 2HB : -0.520: 12
: 1884:A 84 THR 3HG2 :A 85 ASP N : -0.485: 43
: 1884:A 82 PRO 2HB :A 84 THR CG2 : -0.461: 15
: 1884:A 82 PRO 2HB :A 84 THR N : -0.441: 72
: 1884:A 72 TRP CD1 :A 85 ASP 2HB : -0.429: 64
: 1884:A 85 ASP H :A 84 THR CG2 : -0.426: 43
: 1884:A 82 PRO CB :A 85 ASP H : -0.411: 43
: 1884:A 74 ALA 3HB :A 92 ASN HA : -0.719: 72
: 1884:A 92 ASN N :A 92 ASN 2HD2 : -0.559: 70
: 1884:A 92 ASN O :A 91 GLN 1HG : -0.456: 64
: 1884:A 33 SER 1HB :A 14 ASN 1HB : -0.677: 40
: 1884:A 88 TRP HE1 :A 90 ASN 1HB : -0.615: 60
: 1884:A 88 TRP 2HB :A 73 ALA HA : -0.551: 41
: 1884:A 88 TRP NE1 :A 90 ASN 1HB : -0.514: 60
: 1884:A 58 THR 3HG2 :A 60 ARG 1HG : -0.604: 63
: 1884:A 67 GLN 2HB :A 63 LEU 3HD1 : -0.560: 72
: 1884:A 63 LEU 3HD2 :A 61 TYR HE2 : -0.527: 44
: 1884:A 63 LEU 2HD1 :A 31 ASN 1HB : -0.510: 72
: 1884:A 60 ARG 2HG :A 61 TYR HD1 : -0.465: 63
: 1884:A 86 LEU 1HB :A 71 ILE 3HD1 : -0.414: 55
: 1884:A 86 LEU 1HD1 :A 61 TYR CE1 : -0.403: 61
: 1884:A 96 THR 3HG2 :A 97 GLY H : -0.592: 75
: 1884:A 97 GLY 2HA :A 22 VAL 3HG2 : -0.545: 70
: 1884:A 96 THR 3HG2 :A 97 GLY N : -0.420: 75
: 1884:A 115 ARG HE :A 115 ARG HA : -0.580: 74
: 1884:A 20 ILE 1HG1 :A 27 ILE 3HG2 : -0.561: 74
: 1884:A 20 ILE 3HG2 :A 27 ILE 1HG1 : -0.537: 51
: 1884:A 101 LYS 1HB :A 101 LYS NZ : -0.553: 70
: 1884:A 101 LYS 2HB :A 47 LYS 1HB : -0.426: 71
: 1884:A 101 LYS 1HB :A 101 LYS 2HZ : -0.400: 70
: 1884:A 23 ASP O :A 95 GLY 1HA : -0.545: 75
: 1884:A 102 VAL 3HG1 :A 44 MET 2HG : -0.542: 42
: 1884:A 102 VAL 3HG1 :A 44 MET SD : -0.535: 72
: 1884:A 102 VAL 3HG1 :A 44 MET CG : -0.475: 42
: 1884:A 110 GLU 1HG :A 106 ASN 1HB : -0.532: 32
: 1884:A 87 ILE N :A 87 ILE 2HD1 : -0.518: 72
: 1884:A 24 GLY 1HA :A 94 TRP NE1 : -0.506: 61
: 1884:A 24 GLY 1HA :A 94 TRP CE2 : -0.438: 61
: 1884:A 45 ILE 2HD1 :A 45 ILE N : -0.497: 66
: 1884:A 45 ILE HB :A 103 ILE HB : -0.493: 63
#sum2 ::26.54 clashscore : 7.50 clashscore B<40
#summary::1884 atoms:933 atoms B<40:213355 potential dots:13330.0 A^2:50 bumps:7 bumps B<40:370 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 85 ASP H :A 84 THR 3HG2 : -0.653: 51
: 1884:A 101 LYS 1HD :A 114 GLN NE2 : -0.608: 52
: 1884:A 100 VAL 3HG1 :A 46 ARG NH2 : -0.596: 72
: 1884:A 100 VAL 3HG1 :A 46 ARG 1HH2 : -0.573: 72
: 1884:A 102 VAL HA :A 46 ARG HA : -0.514: 40
: 1884:A 100 VAL 2HG2 :A 46 ARG NE : -0.459: 22
: 1884:A 96 THR 1HG2 :A 48 ILE CD1 : -0.458: 73
: 1884:A 100 VAL 3HG2 :A 48 ILE HB : -0.458: 22
: 1884:A 82 PRO 1HB :A 60 ARG CZ : -0.590: 64
: 1884:A 83 PRO O :A 82 PRO 2HB : -0.562: 61
: 1884:A 83 PRO C :A 82 PRO 2HB : -0.429: 63
: 1884:A 87 ILE 2HG1 :A 72 TRP 1HB : -0.573: 54
: 1884:A 87 ILE N :A 87 ILE 2HD1 : -0.466: 74
: 1884:A 67 GLN HA :A 67 GLN 2HE2 : -0.539: 72
: 1884:A 64 LYS 1HB :A 67 GLN 1HB : -0.441: 74
: 1884:A 17 ILE H :A 17 ILE 2HD1 : -0.531: 43
: 1884:A 17 ILE 1HD1 :A 104 LEU HG : -0.517: 25
: 1884:A 17 ILE N :A 17 ILE 2HD1 : -0.511: 43
: 1884:A 63 LEU N :A 63 LEU 2HD2 : -0.449: 71
: 1884:A 29 LEU N :A 29 LEU 2HD1 : -0.418: 73
: 1884:A 17 ILE 2HG1 :A 29 LEU HG : -0.406: 22
: 1884:A 69 VAL CG1 :A 29 LEU 1HB : -0.404: 55
: 1884:A 104 LEU 1HD2 :A 29 LEU 1HD2 : -0.404: 73
: 1884:A 69 VAL HB :A 63 LEU 1HD1 : -0.403: 22
: 1884:A 45 ILE 1HG1 :A 54 SER CB : -0.509: 14
: 1884:A 54 SER 1HB :A 45 ILE 1HG1 : -0.477: 14
: 1884:A 62 VAL HB :A 36 ASP 2HB : -0.499: 64
: 1884:A 22 VAL 2HG2 :A 97 GLY 1HA : -0.483: 73
: 1884:A 24 GLY 1HA :A 94 TRP CE2 : -0.479: 42
: 1884:A 14 ASN O :A 32 THR 2HG2 : -0.477: 33
: 1884:A 99 ASP HA :A 117 THR OG1 : -0.475: 60
: 1884:A 43 GLU HA :A 56 LYS HA : -0.474: 23
: 1884:A 23 ASP O :A 95 GLY 1HA : -0.443: 71
: 1884:A 113 ALA 1HB :A 16 CYS SG : -0.439: 73
: 1884:A 20 ILE 1HG1 :A 27 ILE 3HG2 : -0.412: 72
: 1884:A 90 ASN H :A 88 TRP HD1 : -0.412: 75
: 1884:A 105 LYS HA :A 110 GLU O : -0.410: 24
#sum2 ::19.64 clashscore : 10.73 clashscore B<40
#summary::1884 atoms:932 atoms B<40:213326 potential dots:13330.0 A^2:37 bumps:10 bumps B<40:398.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 84 THR 2HG2 :A 82 PRO 2HB : -0.758: 32
: 1884:A 83 PRO C :A 82 PRO 2HB : -0.568: 53
: 1884:A 82 PRO CB :A 85 ASP H : -0.541: 55
: 1884:A 70 THR O :A 85 ASP 2HB : -0.514: 62
: 1884:A 84 THR 3HG2 :A 85 ASP N : -0.487: 55
: 1884:A 82 PRO 1HB :A 85 ASP H : -0.468: 55
: 1884:A 82 PRO 1HB :A 85 ASP N : -0.449: 55
: 1884:A 82 PRO CB :A 83 PRO C : -0.434: 53
: 1884:A 28 ARG HA :A 70 THR HA : -0.419: 53
: 1884:A 84 THR 2HG2 :A 82 PRO CB : -0.419: 32
: 1884:A 74 ALA 3HB :A 92 ASN HA : -0.693: 74
: 1884:A 117 THR 3HG2 :A 100 VAL 2HG1 : -0.664: 34
: 1884:A 100 VAL O :A 100 VAL 3HG1 : -0.431: 13
: 1884:A 1 MET SD :A 3 HIS NE2 : -0.643: 53
: 1884:A 57 TYR HE2 :A 71 ILE 1HD1 : -0.632: 21
: 1884:A 90 ASN 1HB :A 88 TRP CE2 : -0.506: 44
: 1884:A 88 TRP HE1 :A 55 TYR 1HB : -0.450: 20
: 1884:A 88 TRP 1HB :A 71 ILE 3HG2 : -0.449: 34
: 1884:A 102 VAL 1HG2 :A 27 ILE 3HD1 : -0.613: 51
: 1884:A 20 ILE 1HG1 :A 27 ILE 3HG2 : -0.602: 62
: 1884:A 105 LYS 1HG :A 111 GLU HA : -0.606: 40
: 1884:A 29 LEU 1HB :A 69 VAL 3HG1 : -0.570: 16
: 1884:A 29 LEU N :A 29 LEU 2HD1 : -0.451: 61
: 1884:A 29 LEU HA :A 17 ILE HA : -0.404: 61
: 1884:A 45 ILE HB :A 103 ILE HB : -0.558: 12
: 1884:A 45 ILE 2HD1 :A 45 ILE N : -0.553: 71
: 1884:A 81 SER HA :A 87 ILE 3HD1 : -0.504: 34
: 1884:A 60 ARG NH1 :A 81 SER O : -0.454: 50
: 1884:A 30 LYS HA :A 68 THR HA : -0.502: 73
: 1884:A 30 LYS 1HB :A 18 GLU 1HB : -0.413: 54
: 1884:A 110 GLU 1HG :A 106 ASN 1HB : -0.448: 71
: 1884:A 106 ASN 1HB :A 110 GLU CG : -0.417: 71
: 1884:A 106 ASN HA :A 42 TRP HA : -0.404: 52
: 1884:A 75 ASN N :A 73 ALA O : -0.435: 22
: 1884:A 91 GLN NE2 :A 46 ARG 2HH1 : -0.421: 21
: 1884:A 52 SER HA :A 46 ARG O : -0.405: 51
: 1884:A 25 LYS 2HB :A 25 LYS NZ : -0.415: 75
: 1884:A 101 LYS 1HB :A 101 LYS NZ : -0.412: 13
: 1884:A 32 THR O :A 32 THR 3HG2 : -0.411: 51
: 1884:A 33 SER 1HB :A 14 ASN CB : -0.406: 53
#sum2 ::21.23 clashscore : 13.98 clashscore B<40
#summary::1884 atoms:930 atoms B<40:213339 potential dots:13330.0 A^2:40 bumps:13 bumps B<40:372 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 84 THR H :A 82 PRO 1HB : -0.706: 42
: 1884:A 82 PRO N :A 83 PRO HA : -0.665: 33
: 1884:A 85 ASP O :A 82 PRO 1HD : -0.453: 63
: 1884:A 83 PRO HA :A 81 SER C : -0.451: 34
: 1884:A 45 ILE HB :A 103 ILE HB : -0.703: 53
: 1884:A 45 ILE 2HD1 :A 45 ILE N : -0.512: 73
: 1884:A 54 SER 1HB :A 45 ILE 2HG1 : -0.430: 13
: 1884:A 67 GLN HA :A 67 GLN 2HE2 : -0.684: 55
: 1884:A 67 GLN 2HE2 :A 67 GLN CA : -0.453: 55
: 1884:A 74 ALA 3HB :A 92 ASN HA : -0.674: 74
: 1884:A 89 LYS HA :A 74 ALA 2HB : -0.518: 74
: 1884:A 76 ALA 2HB :A 72 TRP 2HB : -0.600: 74
: 1884:A 72 TRP 2HB :A 76 ALA CB : -0.420: 74
: 1884:A 88 TRP NE1 :A 90 ASN 1HB : -0.581: 74
: 1884:A 88 TRP HE1 :A 90 ASN 1HB : -0.453: 74
: 1884:A 11 MET SD :A 8 HIS NE2 : -0.564: 33
: 1884:A 106 ASN OD1 :A 112 VAL 3HG2 : -0.552: 63
: 1884:A 108 GLN N :A 106 ASN O : -0.501: 34
: 1884:A 78 VAL 3HG2 :A 87 ILE 1HD1 : -0.548: 51
: 1884:A 87 ILE N :A 87 ILE 2HD1 : -0.475: 51
: 1884:A 87 ILE N :A 87 ILE CD1 : -0.403: 51
: 1884:A 16 CYS SG :A 17 ILE N : -0.537: 73
: 1884:A 20 ILE 1HD1 :A 102 VAL 3HG2 : -0.529: 64
: 1884:A 49 GLY H :A 48 ILE 3HG2 : -0.518: 70
: 1884:A 48 ILE 3HG2 :A 49 GLY N : -0.501: 70
: 1884:A 48 ILE HB :A 46 ARG 2HH1 : -0.494: 61
: 1884:A 46 ARG 1HH1 :A 100 VAL 3HG2 : -0.482: 11
: 1884:A 99 ASP O :A 48 ILE HA : -0.473: 62
: 1884:A 117 THR CG2 :A 20 ILE HB : -0.451: 52
: 1884:A 100 VAL 2HG2 :A 20 ILE 3HD1 : -0.438: 55
: 1884:A 102 VAL 3HG2 :A 20 ILE CD1 : -0.431: 64
: 1884:A 21 ASP N :A 20 ILE 2HG2 : -0.415: 35
: 1884:A 46 ARG 1HG :A 46 ARG 1HH1 : -0.410: 11
: 1884:A 86 LEU 1HB :A 71 ILE 3HD1 : -0.497: 62
: 1884:A 19 GLU 1HB :A 18 GLU O : -0.487: 65
: 1884:A 29 LEU N :A 29 LEU 2HD1 : -0.455: 43
: 1884:A 69 VAL CG1 :A 29 LEU 1HB : -0.442: 63
: 1884:A 29 LEU HA :A 18 GLU H : -0.417: 53
: 1884:A 38 PRO 2HB :A 62 VAL HA : -0.458: 44
: 1884:A 30 LYS HA :A 68 THR HA : -0.425: 45
: 1884:A 105 LYS HA :A 111 GLU HA : -0.405: 64
#sum2 ::21.76 clashscore : 9.00 clashscore B<40
#summary::1884 atoms:889 atoms B<40:213531 potential dots:13350.0 A^2:41 bumps:8 bumps B<40:387 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 82 PRO 1HB :A 60 ARG 1HD : -0.674: 42
: 1884:A 83 PRO HA :A 82 PRO 2HB : -0.638: 74
: 1884:A 83 PRO HA :A 82 PRO CB : -0.601: 74
: 1884:A 67 GLN HA :A 67 GLN 2HE2 : -0.586: 41
: 1884:A 60 ARG 2HG :A 61 TYR HD1 : -0.585: 64
: 1884:A 86 LEU 1HB :A 71 ILE 3HD1 : -0.568: 54
: 1884:A 71 ILE HA :A 86 LEU O : -0.501: 70
: 1884:A 63 LEU 3HD2 :A 61 TYR HE2 : -0.473: 31
: 1884:A 64 LYS 1HB :A 67 GLN 1HB : -0.465: 52
: 1884:A 86 LEU 1HD1 :A 61 TYR OH : -0.452: 0
: 1884:A 63 LEU 3HD1 :A 64 LYS N : -0.449: 44
: 1884:A 84 THR 3HG2 :A 83 PRO O : -0.431: 65
: 1884:A 82 PRO 2HG :A 85 ASP O : -0.418: 61
: 1884:A 89 LYS 2HD :A 80 ALA 1HB : -0.590: 43
: 1884:A 17 ILE 1HD1 :A 104 LEU HG : -0.590: 52
: 1884:A 17 ILE 3HD1 :A 102 VAL 3HG1 : -0.510: 64
: 1884:A 89 LYS 1HB :A 89 LYS NZ : -0.483: 42
: 1884:A 87 ILE 2HG1 :A 72 TRP 1HB : -0.588: 10
: 1884:A 87 ILE N :A 87 ILE 2HD1 : -0.550: 62
: 1884:A 106 ASN 1HB :A 110 GLU 2HG : -0.561: 64
: 1884:A 112 VAL 3HG1 :A 106 ASN OD1 : -0.490: 72
: 1884:A 45 ILE 2HD1 :A 45 ILE N : -0.549: 52
: 1884:A 57 TYR 1HB :A 42 TRP H : -0.525: 72
: 1884:A 57 TYR HE1 :A 44 MET 1HB : -0.478: 35
: 1884:A 15 VAL HB :A 42 TRP CH2 : -0.428: 12
: 1884:A 57 TYR CD1 :A 42 TRP 1HB : -0.415: 51
: 1884:A 54 SER HA :A 44 MET O : -0.405: 64
: 1884:A 101 LYS HA :A 116 SER HA : -0.518: 5
: 1884:A 11 MET 2HG :A 38 PRO 1HD : -0.517: 52
: 1884:A 47 LYS 2HB :A 47 LYS NZ : -0.489: 33
: 1884:A 47 LYS 1HG :A 52 SER 1HB : -0.457: 61
: 1884:A 47 LYS O :A 100 VAL 3HG2 : -0.439: 64
: 1884:A 73 ALA 1HB :A 92 ASN HA : -0.487: 32
: 1884:A 20 ILE 1HG1 :A 27 ILE 3HG2 : -0.482: 32
: 1884:A 20 ILE 3HG2 :A 27 ILE 1HG1 : -0.431: 15
: 1884:A 88 TRP NE1 :A 90 ASN 1HB : -0.476: 73
: 1884:A 30 LYS HA :A 68 THR HA : -0.453: 63
: 1884:A 28 ARG HA :A 70 THR HA : -0.441: 43
: 1884:A 81 SER H :A 79 THR 2HG2 : -0.440: 61
: 1884:A 29 LEU N :A 29 LEU 2HD1 : -0.438: 20
: 1884:A 115 ARG 2HG :A 115 ARG 1HH1 : -0.408: 11
: 1884:A 50 ASP 2HB :A 49 GLY O : -0.404: 34
#sum2 ::22.29 clashscore : 13.10 clashscore B<40
#summary::1884 atoms:992 atoms B<40:213346 potential dots:13330.0 A^2:42 bumps:13 bumps B<40:376.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 20 ILE 3HG2 :A 27 ILE 1HG1 : -0.811: 74
: 1884:A 20 ILE 1HG1 :A 27 ILE 3HG2 : -0.725: 61
: 1884:A 102 VAL 1HG2 :A 27 ILE 3HD1 : -0.539: 71
: 1884:A 45 ILE HB :A 103 ILE HB : -0.804: 44
: 1884:A 45 ILE 2HD1 :A 45 ILE N : -0.548: 33
: 1884:A 54 SER OG :A 45 ILE 2HG1 : -0.423: 55
: 1884:A 104 LEU 1HD1 :A 17 ILE 2HG1 : -0.682: 76
: 1884:A 29 LEU HA :A 17 ILE HA : -0.578: 63
: 1884:A 17 ILE 1HG1 :A 29 LEU HG : -0.525: 76
: 1884:A 29 LEU N :A 29 LEU 2HD1 : -0.467: 43
: 1884:A 46 ARG 1HH1 :A 88 TRP HZ3 : -0.673: 44
: 1884:A 88 TRP HZ3 :A 46 ARG NH1 : -0.513: 44
: 1884:A 90 ASN 1HB :A 88 TRP CE2 : -0.501: 35
: 1884:A 94 TRP 2HB :A 46 ARG NH2 : -0.483: 25
: 1884:A 24 GLY 1HA :A 94 TRP NE1 : -0.440: 75
: 1884:A 88 TRP NE1 :A 55 TYR 1HB : -0.410: 63
: 1884:A 93 SER 1HB :A 24 GLY O : -0.400: 76
: 1884:A 82 PRO N :A 83 PRO HA : -0.596: 33
: 1884:A 82 PRO CD :A 83 PRO HA : -0.446: 35
: 1884:A 87 ILE N :A 87 ILE 2HD1 : -0.572: 21
: 1884:A 81 SER H :A 87 ILE 3HD1 : -0.568: 24
: 1884:A 78 VAL 3HG2 :A 87 ILE 1HD1 : -0.439: 21
: 1884:A 100 VAL HB :A 48 ILE 2HD1 : -0.520: 33
: 1884:A 96 THR 2HG2 :A 48 ILE 1HD1 : -0.419: 13
: 1884:A 100 VAL O :A 100 VAL 3HG1 : -0.416: 22
: 1884:A 61 TYR CE2 :A 58 THR 3HG2 : -0.481: 14
: 1884:A 72 TRP CD1 :A 85 ASP 2HB : -0.470: 74
: 1884:A 108 GLN H :A 106 ASN C : -0.430: 72
: 1884:A 63 LEU N :A 63 LEU 2HD2 : -0.423: 44
#sum2 ::15.39 clashscore : 13.04 clashscore B<40
#summary::1884 atoms:920 atoms B<40:213402 potential dots:13340.0 A^2:29 bumps:12 bumps B<40:408.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 104 LEU 1HD1 :A 17 ILE 2HG1 : -0.760: 73
: 1884:A 40 GLY 2HA :A 59 SER 2HB : -0.690: 61
: 1884:A 29 LEU 1HB :A 69 VAL 3HG1 : -0.632: 75
: 1884:A 57 TYR 2HB :A 39 MET 2HG : -0.607: 51
: 1884:A 20 ILE 1HG1 :A 27 ILE 3HG2 : -0.601: 26
: 1884:A 102 VAL 1HG2 :A 27 ILE 3HD1 : -0.534: 64
: 1884:A 29 LEU HA :A 17 ILE HA : -0.519: 55
: 1884:A 20 ILE 3HG2 :A 27 ILE 1HG1 : -0.498: 51
: 1884:A 69 VAL HB :A 63 LEU 1HD2 : -0.478: 50
: 1884:A 27 ILE HB :A 71 ILE HB : -0.453: 64
: 1884:A 44 MET 2HG :A 102 VAL CG1 : -0.452: 31
: 1884:A 17 ILE 1HG1 :A 29 LEU HG : -0.448: 73
: 1884:A 57 TYR O :A 40 GLY 1HA : -0.424: 70
: 1884:A 71 ILE HA :A 86 LEU O : -0.417: 42
: 1884:A 29 LEU 3HD1 :A 71 ILE 1HG1 : -0.413: 64
: 1884:A 39 MET HA :A 39 MET CE : -0.406: 51
: 1884:A 57 TYR HE2 :A 71 ILE 1HD1 : -0.400: 65
: 1884:A 84 THR 2HG2 :A 82 PRO 1HD : -0.733: 72
: 1884:A 82 PRO N :A 83 PRO HA : -0.683: 62
: 1884:A 83 PRO HA :A 81 SER C : -0.584: 62
: 1884:A 60 ARG NH1 :A 81 SER 1HB : -0.427: 32
: 1884:A 60 ARG 2HG :A 61 TYR HD1 : -0.400: 71
: 1884:A 82 PRO N :A 83 PRO CA : -0.400: 62
: 1884:A 1 MET SD :A 1 MET N : -0.654: 64
: 1884:A 74 ALA 3HB :A 92 ASN HA : -0.575: 61
: 1884:A 75 ASN 1HD2 :A 92 ASN 2HB : -0.437: 63
: 1884:A 75 ASN ND2 :A 92 ASN 2HB : -0.401: 63
: 1884:A 105 LYS 1HG :A 111 GLU HA : -0.574: 71
: 1884:A 70 THR O :A 85 ASP 2HB : -0.538: 65
: 1884:A 46 ARG NH1 :A 91 GLN 1HE2 : -0.527: 54
: 1884:A 46 ARG 1HH1 :A 46 ARG 2HD : -0.408: 54
: 1884:A 88 TRP NE1 :A 90 ASN 1HB : -0.522: 40
: 1884:A 88 TRP HE1 :A 90 ASN 1HB : -0.427: 40
: 1884:A 45 ILE 2HD1 :A 45 ILE N : -0.491: 72
: 1884:A 45 ILE HB :A 103 ILE HB : -0.422: 62
: 1884:A 87 ILE N :A 87 ILE 2HD1 : -0.478: 44
: 1884:A 99 ASP HA :A 117 THR OG1 : -0.474: 23
: 1884:A 100 VAL 3HG2 :A 48 ILE HB : -0.469: 54
: 1884:A 76 ALA 2HB :A 72 TRP 2HB : -0.467: 73
: 1884:A 76 ALA 1HB :A 78 VAL 2HG2 : -0.409: 35
: 1884:A 36 ASP OD2 :A 64 LYS 1HG : -0.445: 15
: 1884:A 35 GLN 1HG :A 36 ASP N : -0.420: 54
: 1884:A 36 ASP HA :A 64 LYS HA : -0.409: 51
: 1884:A 97 GLY 1HA :A 22 VAL O : -0.426: 72
: 1884:A 22 VAL O :A 22 VAL 2HG2 : -0.419: 72
: 1884:A 112 VAL 1HG2 :A 42 TRP CZ3 : -0.419: 62
: 1884:A 38 PRO 2HD :A 37 GLN HA : -0.416: 52
: 1884:A 101 LYS HA :A 116 SER HA : -0.415: 55
#sum2 ::25.48 clashscore : 6.59 clashscore B<40
#summary::1884 atoms:910 atoms B<40:213433 potential dots:13340.0 A^2:48 bumps:6 bumps B<40:385.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 74 ALA 3HB :A 92 ASN HA : -0.806: 62
: 1884:A 75 ASN 1HD2 :A 92 ASN 2HB : -0.419: 43
: 1884:A 81 SER H :A 79 THR 2HG2 : -0.650: 63
: 1884:A 80 ALA HA :A 87 ILE 3HD1 : -0.590: 61
: 1884:A 87 ILE N :A 87 ILE 2HD1 : -0.447: 61
: 1884:A 87 ILE 2HG1 :A 72 TRP 1HB : -0.446: 32
: 1884:A 84 THR 2HG2 :A 82 PRO 1HB : -0.585: 74
: 1884:A 82 PRO N :A 83 PRO HA : -0.548: 65
: 1884:A 82 PRO CD :A 83 PRO HA : -0.496: 14
: 1884:A 62 VAL CG1 :A 36 ASP 2HB : -0.565: 41
: 1884:A 62 VAL 2HG1 :A 36 ASP 2HB : -0.483: 41
: 1884:A 35 GLN 1HG :A 36 ASP N : -0.464: 33
: 1884:A 24 GLY 1HA :A 94 TRP CE2 : -0.557: 55
: 1884:A 94 TRP O :A 24 GLY 2HA : -0.479: 23
: 1884:A 94 TRP 2HB :A 91 GLN NE2 : -0.472: 64
: 1884:A 91 GLN OE1 :A 53 VAL 1HG1 : -0.419: 60
: 1884:A 63 LEU 2HD1 :A 31 ASN 2HB : -0.532: 72
: 1884:A 47 LYS 1HG :A 52 SER 1HB : -0.527: 74
: 1884:A 14 ASN 1HB :A 33 SER OG : -0.524: 34
: 1884:A 33 SER O :A 65 ALA 2HB : -0.428: 41
: 1884:A 88 TRP HE1 :A 90 ASN 1HB : -0.509: 63
: 1884:A 101 LYS 1HE :A 103 ILE 1HD1 : -0.493: 43
: 1884:A 105 LYS 2HG :A 103 ILE 2HG2 : -0.417: 32
: 1884:A 26 PHE 1HB :A 70 THR CG2 : -0.464: 75
: 1884:A 70 THR O :A 85 ASP 2HB : -0.431: 52
: 1884:A 29 LEU N :A 29 LEU 2HD1 : -0.457: 74
: 1884:A 89 LYS 1HB :A 89 LYS NZ : -0.449: 25
: 1884:A 17 ILE 1HD1 :A 104 LEU HG : -0.432: 62
: 1884:A 115 ARG CZ :A 19 GLU HA : -0.425: 42
: 1884:A 71 ILE HA :A 86 LEU O : -0.413: 63
#sum2 ::15.92 clashscore : 7.50 clashscore B<40
#summary::1884 atoms:933 atoms B<40:213261 potential dots:13330.0 A^2:30 bumps:7 bumps B<40:419.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 44 MET 1HE :A 71 ILE 1HG2 : -0.751: 72
: 1884:A 71 ILE HA :A 86 LEU O : -0.447: 44
: 1884:A 45 ILE HB :A 103 ILE HB : -0.746: 43
: 1884:A 20 ILE 3HD1 :A 46 ARG 2HH1 : -0.658: 74
: 1884:A 20 ILE 1HG2 :A 46 ARG 2HH2 : -0.567: 20
: 1884:A 20 ILE 3HG2 :A 27 ILE 1HG1 : -0.546: 5
: 1884:A 46 ARG N :A 45 ILE 2HG2 : -0.432: 14
: 1884:A 120 LYS 1HE :A 120 LYS HA : -0.716: 24
: 1884:A 76 ALA 1HB :A 78 VAL 2HG2 : -0.681: 63
: 1884:A 82 PRO 2HG :A 85 ASP O : -0.660: 20
: 1884:A 60 ARG 2HG :A 61 TYR HD1 : -0.584: 25
: 1884:A 82 PRO 1HB :A 60 ARG 1HD : -0.554: 40
: 1884:A 84 THR 3HG2 :A 85 ASP N : -0.517: 61
: 1884:A 82 PRO HA :A 83 PRO O : -0.510: 10
: 1884:A 85 ASP H :A 84 THR 3HG2 : -0.476: 61
: 1884:A 82 PRO 1HD :A 60 ARG CZ : -0.412: 71
: 1884:A 60 ARG NH1 :A 82 PRO 1HD : -0.411: 41
: 1884:A 83 PRO C :A 82 PRO HA : -0.408: 32
: 1884:A 70 THR O :A 85 ASP 2HB : -0.404: 74
: 1884:A 21 ASP 2HB :A 26 PHE O : -0.604: 74
: 1884:A 67 GLN HA :A 67 GLN 2HE2 : -0.603: 53
: 1884:A 88 TRP HD1 :A 90 ASN H : -0.529: 52
: 1884:A 43 GLU HA :A 56 LYS HA : -0.524: 42
: 1884:A 47 LYS O :A 100 VAL 3HG2 : -0.498: 64
: 1884:A 47 LYS 1HG :A 52 SER 1HB : -0.446: 24
: 1884:A 87 ILE N :A 87 ILE 2HD1 : -0.494: 43
: 1884:A 29 LEU N :A 29 LEU 2HD1 : -0.480: 61
: 1884:A 39 MET CE :A 39 MET HA : -0.437: 62
: 1884:A 102 VAL 2HG1 :A 115 ARG O : -0.405: 51
: 1884:A 48 ILE 2HD1 :A 94 TRP O : -0.401: 53
#sum2 ::15.92 clashscore : 9.47 clashscore B<40
#summary::1884 atoms:950 atoms B<40:213253 potential dots:13330.0 A^2:30 bumps:9 bumps B<40:406.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 60 ARG 2HG :A 61 TYR HD1 : -0.681: 72
: 1884:A 61 TYR HE1 :A 86 LEU 1HD2 : -0.412: 72
: 1884:A 20 ILE 3HG2 :A 27 ILE 1HG1 : -0.646: 52
: 1884:A 117 THR 2HG2 :A 20 ILE HB : -0.543: 74
: 1884:A 20 ILE 1HG1 :A 27 ILE 3HG2 : -0.433: 44
: 1884:A 82 PRO N :A 83 PRO HA : -0.600: 65
: 1884:A 82 PRO 1HB :A 84 THR N : -0.543: 75
: 1884:A 82 PRO CD :A 83 PRO HA : -0.490: 53
: 1884:A 100 VAL 3HG2 :A 48 ILE HB : -0.572: 50
: 1884:A 100 VAL HB :A 48 ILE 2HD1 : -0.447: 53
: 1884:A 67 GLN HA :A 67 GLN 2HE2 : -0.554: 44
: 1884:A 39 MET 2HB :A 59 SER HA : -0.528: 45
: 1884:A 57 TYR HE2 :A 44 MET 1HB : -0.526: 41
: 1884:A 87 ILE N :A 87 ILE 2HD1 : -0.521: 62
: 1884:A 76 ALA 2HB :A 72 TRP 2HB : -0.492: 31
: 1884:A 87 ILE 2HG1 :A 72 TRP 1HB : -0.475: 50
: 1884:A 87 ILE HA :A 72 TRP 1HB : -0.423: 31
: 1884:A 54 SER 1HB :A 45 ILE 1HG1 : -0.520: 63
: 1884:A 25 LYS 2HB :A 25 LYS NZ : -0.516: 72
: 1884:A 70 THR O :A 85 ASP 2HB : -0.500: 13
: 1884:A 95 GLY O :A 96 THR HB : -0.491: 71
: 1884:A 96 THR 1HG2 :A 22 VAL HA : -0.409: 34
: 1884:A 29 LEU N :A 29 LEU 2HD1 : -0.473: 33
: 1884:A 55 TYR 1HB :A 88 TRP CE2 : -0.450: 53
: 1884:A 88 TRP NE1 :A 90 ASN 1HB : -0.414: 52
: 1884:A 46 ARG 1HD :A 91 GLN 1HE2 : -0.414: 54
: 1884:A 65 ALA 1HB :A 34 GLU HA : -0.408: 25
#sum2 ::14.33 clashscore : 6.47 clashscore B<40
#summary::1884 atoms:927 atoms B<40:213333 potential dots:13330.0 A^2:27 bumps:6 bumps B<40:455.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 39 MET 2HB :A 59 SER HA : -0.821: 62
: 1884:A 57 TYR 2HB :A 39 MET 2HG : -0.613: 63
: 1884:A 57 TYR HE1 :A 44 MET 1HB : -0.608: 64
: 1884:A 57 TYR 2HB :A 39 MET CG : -0.454: 63
: 1884:A 57 TYR O :A 41 GLY 1HA : -0.437: 45
: 1884:A 39 MET CE :A 39 MET HA : -0.431: 53
: 1884:A 39 MET SD :A 86 LEU 1HD1 : -0.407: 64
: 1884:A 20 ILE 1HG1 :A 27 ILE 3HG2 : -0.734: 71
: 1884:A 20 ILE 3HG2 :A 27 ILE 1HG1 : -0.591: 52
: 1884:A 117 THR 2HG2 :A 20 ILE HB : -0.580: 51
: 1884:A 99 ASP HA :A 117 THR OG1 : -0.452: 24
: 1884:A 82 PRO 1HB :A 84 THR N : -0.674: 24
: 1884:A 82 PRO CB :A 84 THR 2HG2 : -0.515: 70
: 1884:A 60 ARG 2HG :A 61 TYR HD2 : -0.506: 33
: 1884:A 83 PRO 2HD :A 61 TYR 2HB : -0.488: 35
: 1884:A 82 PRO CB :A 83 PRO C : -0.484: 62
: 1884:A 60 ARG 2HG :A 61 TYR CD2 : -0.473: 33
: 1884:A 85 ASP OD1 :A 84 THR 3HG2 : -0.452: 70
: 1884:A 82 PRO 1HB :A 85 ASP H : -0.412: 63
: 1884:A 84 THR 2HG2 :A 82 PRO 2HB : -0.405: 70
: 1884:A 74 ALA 3HB :A 92 ASN HA : -0.621: 72
: 1884:A 106 ASN 1HB :A 110 GLU 2HG : -0.619: 23
: 1884:A 106 ASN 1HB :A 110 GLU CG : -0.463: 23
: 1884:A 88 TRP NE1 :A 90 ASN 1HB : -0.599: 33
: 1884:A 88 TRP HE1 :A 90 ASN 1HB : -0.415: 33
: 1884:A 88 TRP 2HB :A 73 ALA HA : -0.404: 63
: 1884:A 113 ALA 3HB :A 104 LEU 1HB : -0.588: 64
: 1884:A 46 ARG HE :A 100 VAL 1HG2 : -0.581: 72
: 1884:A 67 GLN HA :A 67 GLN 2HE2 : -0.516: 53
: 1884:A 36 ASP HA :A 64 LYS HA : -0.513: 62
: 1884:A 105 LYS 1HG :A 111 GLU HA : -0.513: 53
: 1884:A 87 ILE 3HD1 :A 81 SER N : -0.509: 62
: 1884:A 81 SER H :A 87 ILE 3HD1 : -0.454: 62
: 1884:A 29 LEU N :A 29 LEU 2HD1 : -0.481: 5
: 1884:A 50 ASP HA :A 47 LYS 1HE : -0.476: 62
: 1884:A 11 MET 2HB :A 37 GLN 1HE2 : -0.472: 71
: 1884:A 14 ASN 1HD2 :A 37 GLN NE2 : -0.435: 54
: 1884:A 11 MET 2HB :A 37 GLN NE2 : -0.426: 71
: 1884:A 7 HIS 1HB :A 6 HIS O : -0.458: 42
: 1884:A 115 ARG 1HD :A 17 ILE 2HG2 : -0.452: 31
: 1884:A 97 GLY 1HA :A 22 VAL O : -0.426: 23
: 1884:A 30 LYS 1HB :A 68 THR 2HG2 : -0.422: 25
: 1884:A 31 ASN 1HB :A 63 LEU 3HD2 : -0.421: 54
#sum2 ::22.82 clashscore : 14.16 clashscore B<40
#summary::1884 atoms:918 atoms B<40:213374 potential dots:13340.0 A^2:43 bumps:13 bumps B<40:372.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 104 LEU 1HD1 :A 17 ILE 2HG1 : -0.817: 70
: 1884:A 113 ALA 3HB :A 104 LEU 2HD1 : -0.567: 70
: 1884:A 29 LEU HA :A 17 ILE HA : -0.491: 60
: 1884:A 44 MET 1HE :A 29 LEU 1HD1 : -0.483: 51
: 1884:A 102 VAL CG2 :A 44 MET 2HG : -0.472: 42
: 1884:A 44 MET O :A 54 SER HA : -0.456: 73
: 1884:A 29 LEU N :A 29 LEU 2HD1 : -0.421: 51
: 1884:A 62 VAL HA :A 38 PRO HA : -0.622: 60
: 1884:A 82 PRO 1HB :A 84 THR N : -0.563: 75
: 1884:A 82 PRO N :A 83 PRO HA : -0.541: 72
: 1884:A 82 PRO CD :A 83 PRO HA : -0.466: 72
: 1884:A 92 ASN 2HD2 :A 74 ALA 3HB : -0.556: 43
: 1884:A 99 ASP HA :A 117 THR OG1 : -0.526: 65
: 1884:A 100 VAL 3HG2 :A 48 ILE HB : -0.513: 53
: 1884:A 48 ILE 3HD1 :A 49 GLY N : -0.430: 62
: 1884:A 48 ILE HB :A 100 VAL CG2 : -0.400: 53
: 1884:A 30 LYS HA :A 68 THR 2HG2 : -0.506: 61
: 1884:A 35 GLN 1HG :A 36 ASP N : -0.501: 31
: 1884:A 35 GLN 1HG :A 36 ASP H : -0.423: 31
: 1884:A 20 ILE 3HG2 :A 27 ILE 1HG1 : -0.497: 34
: 1884:A 20 ILE 1HG1 :A 27 ILE 3HG2 : -0.484: 52
: 1884:A 87 ILE N :A 87 ILE 2HD1 : -0.475: 25
: 1884:A 19 GLU 1HB :A 18 GLU O : -0.466: 62
: 1884:A 57 TYR HE2 :A 71 ILE 1HD1 : -0.463: 23
: 1884:A 71 ILE CD1 :A 86 LEU 1HB : -0.407: 41
: 1884:A 112 VAL 3HG1 :A 106 ASN OD1 : -0.420: 65
: 1884:A 110 GLU 1HG :A 106 ASN 1HB : -0.402: 60
: 1884:A 63 LEU N :A 63 LEU 2HD2 : -0.411: 52
: 1884:A 28 ARG 1HH1 :A 28 ARG 2HD : -0.411: 43
#sum2 ::15.39 clashscore : 5.14 clashscore B<40
#summary::1884 atoms:973 atoms B<40:213482 potential dots:13340.0 A^2:29 bumps:5 bumps B<40:461.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 40 GLY 2HA :A 59 SER 2HB : -0.818: 60
: 1884:A 60 ARG 1HD :A 82 PRO 1HG : -0.783: 70
: 1884:A 83 PRO HA :A 82 PRO CB : -0.735: 42
: 1884:A 83 PRO HA :A 82 PRO 2HB : -0.725: 42
: 1884:A 82 PRO 1HD :A 60 ARG 1HH1 : -0.698: 31
: 1884:A 82 PRO CB :A 83 PRO CA : -0.532: 42
: 1884:A 60 ARG 1HD :A 82 PRO CG : -0.512: 70
: 1884:A 82 PRO 1HD :A 60 ARG NH1 : -0.460: 31
: 1884:A 82 PRO 2HG :A 85 ASP O : -0.432: 70
: 1884:A 20 ILE 3HG2 :A 27 ILE 1HG1 : -0.638: 71
: 1884:A 20 ILE 1HG1 :A 27 ILE 3HG2 : -0.471: 43
: 1884:A 63 LEU 2HD2 :A 39 MET SD : -0.617: 44
: 1884:A 39 MET 1HB :A 63 LEU 1HB : -0.525: 62
: 1884:A 31 ASN 1HB :A 63 LEU CD2 : -0.407: 44
: 1884:A 88 TRP HZ3 :A 46 ARG HE : -0.594: 52
: 1884:A 88 TRP HH2 :A 53 VAL 3HG1 : -0.460: 45
: 1884:A 53 VAL 2HG2 :A 88 TRP HZ2 : -0.441: 32
: 1884:A 55 TYR 1HB :A 88 TRP CE2 : -0.439: 61
: 1884:A 94 TRP O :A 24 GLY 2HA : -0.556: 65
: 1884:A 94 TRP 2HB :A 91 GLN NE2 : -0.439: 44
: 1884:A 24 GLY 1HA :A 94 TRP CE2 : -0.436: 53
: 1884:A 30 LYS 1HB :A 68 THR 2HG2 : -0.550: 54
: 1884:A 30 LYS 2HB :A 30 LYS NZ : -0.427: 14
: 1884:A 68 THR N :A 67 GLN 2HE2 : -0.427: 44
: 1884:A 110 GLU 1HG :A 106 ASN 1HB : -0.541: 31
: 1884:A 106 ASN HA :A 42 TRP HA : -0.421: 32
: 1884:A 106 ASN 1HB :A 110 GLU CG : -0.413: 31
: 1884:A 101 LYS HA :A 116 SER HA : -0.538: 25
: 1884:A 116 SER 2HB :A 99 ASP 2HB : -0.505: 62
: 1884:A 99 ASP HA :A 117 THR OG1 : -0.494: 35
: 1884:A 116 SER N :A 115 ARG 1HG : -0.457: 62
: 1884:A 80 ALA HA :A 87 ILE 3HD1 : -0.528: 13
: 1884:A 87 ILE N :A 87 ILE 2HD1 : -0.491: 21
: 1884:A 87 ILE 2HG1 :A 72 TRP 1HB : -0.424: 64
: 1884:A 74 ALA 3HB :A 92 ASN HA : -0.523: 11
: 1884:A 113 ALA 3HB :A 104 LEU 2HD1 : -0.516: 71
: 1884:A 112 VAL 3HG2 :A 113 ALA N : -0.411: 63
: 1884:A 114 GLN 1HB :A 103 ILE 3HD1 : -0.481: 12
: 1884:A 45 ILE HB :A 103 ILE HB : -0.446: 74
: 1884:A 61 TYR HE1 :A 86 LEU 1HD2 : -0.477: 34
: 1884:A 38 PRO 2HD :A 37 GLN HA : -0.458: 54
: 1884:A 37 GLN 1HG :A 35 GLN O : -0.435: 72
: 1884:A 35 GLN 1HG :A 36 ASP N : -0.407: 63
: 1884:A 29 LEU N :A 29 LEU 2HD1 : -0.432: 40
: 1884:A 111 GLU 1HB :A 105 LYS 2HE : -0.427: 73
: 1884:A 48 ILE HA :A 100 VAL 3HG2 : -0.423: 54
: 1884:A 120 LYS H :A 118 VAL 2HG1 : -0.420: 44
#sum2 ::24.95 clashscore : 14.27 clashscore B<40
#summary::1884 atoms:981 atoms B<40:213391 potential dots:13340.0 A^2:47 bumps:14 bumps B<40:351.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1884:A 20 ILE 1HG1 :A 27 ILE 3HG2 : -0.795: 64
: 1884:A 20 ILE 3HG2 :A 27 ILE 1HG1 : -0.671: 70
: 1884:A 86 LEU 1HB :A 71 ILE 3HD1 : -0.499: 35
: 1884:A 44 MET 1HE :A 71 ILE 1HG2 : -0.489: 32
: 1884:A 27 ILE HB :A 71 ILE HB : -0.469: 72
: 1884:A 71 ILE HA :A 86 LEU O : -0.425: 40
: 1884:A 71 ILE CD1 :A 86 LEU 1HB : -0.422: 35
: 1884:A 54 SER 1HB :A 45 ILE 2HG1 : -0.674: 41
: 1884:A 45 ILE 2HD1 :A 45 ILE N : -0.517: 61
: 1884:A 62 VAL HA :A 38 PRO HA : -0.671: 75
: 1884:A 11 MET SD :A 37 GLN NE2 : -0.624: 43
: 1884:A 96 THR 3HG2 :A 48 ILE 1HD1 : -0.610: 43
: 1884:A 24 GLY 1HA :A 94 TRP CE2 : -0.580: 64
: 1884:A 48 ILE 2HD1 :A 94 TRP 1HB : -0.462: 33
: 1884:A 82 PRO N :A 83 PRO HA : -0.577: 74
: 1884:A 82 PRO CD :A 83 PRO HA : -0.475: 74
: 1884:A 82 PRO 1HB :A 84 THR N : -0.448: 20
: 1884:A 106 ASN 1HB :A 110 GLU 2HG : -0.528: 32
: 1884:A 113 ALA H :A 112 VAL 3HG2 : -0.501: 75
: 1884:A 113 ALA 3HB :A 104 LEU 2HD1 : -0.479: 74
: 1884:A 113 ALA 3HB :A 104 LEU 1HB : -0.469: 64
: 1884:A 112 VAL 3HG2 :A 113 ALA N : -0.461: 75
: 1884:A 53 VAL 1HG2 :A 91 GLN NE2 : -0.485: 33
: 1884:A 88 TRP CH2 :A 46 ARG 1HB : -0.482: 23
: 1884:A 101 LYS 1HE :A 103 ILE 1HD1 : -0.457: 52
: 1884:A 39 MET HA :A 39 MET 3HE : -0.455: 41
: 1884:A 14 ASN 2HB :A 32 THR O : -0.444: 63
: 1884:A 68 THR 2HG2 :A 30 LYS 2HG : -0.441: 31
: 1884:A 30 LYS HA :A 68 THR HA : -0.401: 63
: 1884:A 60 ARG 2HG :A 61 TYR HD2 : -0.435: 73
: 1884:A 73 ALA O :A 87 ILE 3HG2 : -0.434: 64
: 1884:A 72 TRP CD1 :A 85 ASP 2HB : -0.418: 51
: 1884:A 87 ILE 2HG1 :A 72 TRP 1HB : -0.401: 62
: 1884:A 29 LEU N :A 29 LEU 2HD1 : -0.428: 30
: 1884:A 89 LYS 2HB :A 89 LYS NZ : -0.421: 64
#sum2 ::18.58 clashscore : 10.16 clashscore B<40
#summary::1884 atoms:984 atoms B<40:213387 potential dots:13340.0 A^2:35 bumps:10 bumps B<40:424.2 score
Output from PDB validation software
Summary from PDB validation
May. 10, 10:47:29 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 46 - A HZ3 TRP 88 12 Dist = 1.35
A HE ARG 46 - A HZ3 TRP 88 19 Dist = 1.43
A 1HE LYS 101 - A 3HD1 ILE 103 6 Dist = 1.44
A 1HH1 ARG 60 - A 1HD PRO 82 19 Dist = 1.47
A 1HB PRO 82 - A H THR 84 10 Dist = 1.48
A 1HH1 ARG 60 - A 1HG PRO 82 5 Dist = 1.49
A 1HB ARG 46 - A HH2 TRP 88 3 Dist = 1.51
A 3HD1 ILE 20 - A 2HH1 ARG 46 15 Dist = 1.51
A HZ3 TRP 42 - A 3HG2 VAL 112 5 Dist = 1.52
A 2HA GLY 40 - A 1HB SER 59 19 Dist = 1.52
A 2HG1 ILE 17 - A 1HD1 LEU 104 18 Dist = 1.53
A 2HB MET 39 - A HA SER 59 17 Dist = 1.53
A HD1 TRP 88 - A H ASN 90 15 Dist = 1.53
A H TRP 42 - A 1HB TYR 57 5 Dist = 1.53
A 2HG1 ILE 17 - A HG LEU 29 7 Dist = 1.53
A 1HD ARG 60 - A 1HG PRO 82 19 Dist = 1.54
A 1HG2 ILE 20 - A 1HG1 ILE 27 12 Dist = 1.55
A 1HB PRO 82 - A H ASP 85 1 Dist = 1.55
A HB ILE 45 - A HB ILE 103 12 Dist = 1.55
A HD1 TRP 88 - A H ASN 90 1 Dist = 1.56
A 1HG1 ILE 20 - A 1HG2 ILE 27 20 Dist = 1.56
A 1HH2 ARG 46 - A 3HG1 VAL 100 6 Dist = 1.56
A HH TYR 61 - A 1HG2 VAL 69 14 Dist = 1.57
A 1HB ALA 74 - A HA ASN 92 14 Dist = 1.57
A HE2 TYR 57 - A 2HD1 ILE 71 9 Dist = 1.57
A HB ILE 20 - A 2HG2 THR 117 3 Dist = 1.58
A 1HG2 THR 79 - A H SER 81 14 Dist = 1.58
A HE1 TRP 88 - A 1HB ASN 90 7 Dist = 1.58
A 3HG2 ILE 20 - A 1HG1 ILE 27 4 Dist = 1.59
A 2HG1 VAL 53 - A 2HG GLN 91 1 Dist = 1.59
A 1HB MET 44 - A HE1 TYR 57 17 Dist = 1.60
A 2HG2 THR 96 - A H GLU 98 5 Dist = 1.60
A 2HB PRO 82 - A 1HG2 THR 84 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 0.009 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.7 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-8.1 PRO A 83 1 CA - N - CD 103.9 112.0
5.5 PRO A 83 1 CB - CA - C 115.6 110.1
-4.6 PRO A 83 1 N - CA - CB 98.4 103.0
10.2 PRO A 83 1 N - CA - C 122.0 111.8
6.0 PRO A 82 1 CA - C - N 122.9 116.9
10.0 PRO A 83 1 C - N - CA 132.6 122.6
5.1 THR A 84 1 N - CA - CB 116.6 111.5
4.2 THR A 84 1 C - N - CA 125.9 121.7
-4.9 PRO A 83 5 CA - N - CD 107.1 112.0
9.5 PRO A 83 5 N - CA - C 121.3 111.8
6.5 PRO A 82 5 CA - C - N 123.4 116.9
8.6 PRO A 83 5 C - N - CA 131.2 122.6
-7.5 PRO A 83 7 CA - N - CD 104.5 112.0
4.6 PRO A 83 7 CB - CA - C 114.7 110.1
-4.2 PRO A 83 7 N - CA - CB 98.8 103.0
9.7 PRO A 83 7 N - CA - C 121.5 111.8
5.8 PRO A 82 7 CA - C - N 122.7 116.9
9.5 PRO A 83 7 C - N - CA 132.1 122.6
5.5 THR A 84 7 N - CA - CB 117.0 111.5
4.3 THR A 84 7 C - N - CA 126.0 121.7
-5.4 PRO A 83 8 CA - N - CD 106.6 112.0
9.5 PRO A 83 8 N - CA - C 121.3 111.8
6.1 PRO A 82 8 CA - C - N 123.0 116.9
8.6 PRO A 83 8 C - N - CA 131.2 122.6
-7.9 PRO A 83 9 CA - N - CD 104.1 112.0
5.0 PRO A 83 9 CB - CA - C 115.1 110.1
-4.4 PRO A 83 9 N - CA - CB 98.6 103.0
9.9 PRO A 83 9 N - CA - C 121.7 111.8
6.4 PRO A 82 9 CA - C - N 123.3 116.9
10.0 PRO A 83 9 C - N - CA 132.6 122.6
4.9 THR A 84 9 N - CA - CB 116.4 111.5
4.6 THR A 84 9 C - N - CA 126.3 121.7
5.4 PRO A 82 10 N - CA - C 117.2 111.8
5.5 PRO A 82 10 CA - C - N 122.4 116.9
4.4 PRO A 83 10 C - N - CA 127.0 122.6
4.4 PRO A 82 12 N - CA - C 116.2 111.8
4.5 PRO A 82 12 CA - C - N 121.4 116.9
6.3 PRO A 82 13 N - CA - C 118.1 111.8
5.3 PRO A 82 13 CA - C - N 122.2 116.9
4.3 PRO A 82 14 CA - C - N 121.2 116.9
-6.2 PRO A 83 15 CA - N - CD 105.8 112.0
9.7 PRO A 83 15 N - CA - C 121.5 111.8
4.8 PRO A 82 15 CA - C - N 121.7 116.9
8.0 PRO A 83 15 C - N - CA 130.6 122.6
5.9 THR A 84 15 N - CA - C 117.1 111.2
4.9 THR A 84 15 C - N - CA 126.6 121.7
4.6 PRO A 82 16 CA - C - N 121.5 116.9
4.6 PRO A 82 17 CB - CA - C 114.7 110.1
-8.4 PRO A 83 17 CA - N - CD 103.6 112.0
5.7 PRO A 83 17 CB - CA - C 115.8 110.1
-4.7 PRO A 83 17 N - CA - CB 98.3 103.0
10.4 PRO A 83 17 N - CA - C 122.2 111.8
6.9 PRO A 82 17 CA - C - N 123.8 116.9
-4.4 PRO A 82 17 O - C - N 117.6 122.0
10.8 PRO A 83 17 C - N - CA 133.4 122.6
4.8 THR A 84 17 N - CA - CB 116.3 111.5
4.2 PRO A 82 18 N - CA - C 116.0 111.8
4.4 PRO A 82 18 CA - C - N 121.3 116.9
4.2 PRO A 83 19 C - N - CA 126.8 122.6
4.4 PRO A 82 20 CA - C - N 121.3 116.9
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A ASN 14 1HD2
1 A ASN 14 2HD2
1 A ASN 31 1HD2
1 A ASN 31 2HD2
1 A GLN 35 1HE2
1 A GLN 35 2HE2
1 A GLN 37 1HE2
1 A GLN 37 2HE2
1 A GLN 67 1HE2
1 A GLN 67 2HE2
1 A ASN 75 1HD2
1 A ASN 75 2HD2
1 A ASN 90 1HD2
1 A ASN 90 2HD2
1 A GLN 91 1HE2
1 A GLN 91 2HE2
1 A ASN 92 1HD2
1 A ASN 92 2HD2
1 A ASN 106 1HD2
1 A ASN 106 2HD2
1 A GLN 108 1HE2
1 A GLN 108 2HE2
1 A GLN 114 1HE2
1 A GLN 114 2HE2
2 A ASN 14 1HD2
2 A ASN 14 2HD2
2 A ASN 31 1HD2
2 A ASN 31 2HD2
2 A GLN 35 1HE2
2 A GLN 35 2HE2
2 A GLN 37 1HE2
2 A GLN 37 2HE2
2 A GLN 67 1HE2
2 A GLN 67 2HE2
2 A ASN 75 1HD2
2 A ASN 75 2HD2
2 A ASN 90 1HD2
2 A ASN 90 2HD2
2 A GLN 91 1HE2
2 A GLN 91 2HE2
2 A ASN 92 1HD2
2 A ASN 92 2HD2
2 A ASN 106 1HD2
2 A ASN 106 2HD2
2 A GLN 108 1HE2
2 A GLN 108 2HE2
2 A GLN 114 1HE2
2 A GLN 114 2HE2
3 A ASN 14 1HD2
3 A ASN 14 2HD2
3 A ASN 31 1HD2
3 A ASN 31 2HD2
3 A GLN 35 1HE2
3 A GLN 35 2HE2
3 A GLN 37 1HE2
3 A GLN 37 2HE2
3 A GLN 67 1HE2
3 A GLN 67 2HE2
3 A ASN 75 1HD2
3 A ASN 75 2HD2
3 A ASN 90 1HD2
3 A ASN 90 2HD2
3 A GLN 91 1HE2
3 A GLN 91 2HE2
3 A ASN 92 1HD2
3 A ASN 92 2HD2
3 A ASN 106 1HD2
3 A ASN 106 2HD2
3 A GLN 108 1HE2
3 A GLN 108 2HE2
3 A GLN 114 1HE2
3 A GLN 114 2HE2
4 A ASN 14 1HD2
4 A ASN 14 2HD2
4 A ASN 31 1HD2
4 A ASN 31 2HD2
4 A GLN 35 1HE2
4 A GLN 35 2HE2
4 A GLN 37 1HE2
4 A GLN 37 2HE2
4 A GLN 67 1HE2
4 A GLN 67 2HE2
4 A ASN 75 1HD2
4 A ASN 75 2HD2
4 A ASN 90 1HD2
4 A ASN 90 2HD2
4 A GLN 91 1HE2
4 A GLN 91 2HE2
4 A ASN 92 1HD2
4 A ASN 92 2HD2
4 A ASN 106 1HD2
4 A ASN 106 2HD2
4 A GLN 108 1HE2
4 A GLN 108 2HE2
4 A GLN 114 1HE2
4 A GLN 114 2HE2
5 A ASN 14 1HD2
5 A ASN 14 2HD2
5 A ASN 31 1HD2
5 A ASN 31 2HD2
5 A GLN 35 1HE2
5 A GLN 35 2HE2
5 A GLN 37 1HE2
5 A GLN 37 2HE2
5 A GLN 67 1HE2
5 A GLN 67 2HE2
5 A ASN 75 1HD2
5 A ASN 75 2HD2
5 A ASN 90 1HD2
5 A ASN 90 2HD2
5 A GLN 91 1HE2
5 A GLN 91 2HE2
5 A ASN 92 1HD2
5 A ASN 92 2HD2
5 A ASN 106 1HD2
5 A ASN 106 2HD2
5 A GLN 108 1HE2
5 A GLN 108 2HE2
5 A GLN 114 1HE2
5 A GLN 114 2HE2
6 A ASN 14 1HD2
6 A ASN 14 2HD2
6 A ASN 31 1HD2
6 A ASN 31 2HD2
6 A GLN 35 1HE2
6 A GLN 35 2HE2
6 A GLN 37 1HE2
6 A GLN 37 2HE2
6 A GLN 67 1HE2
6 A GLN 67 2HE2
6 A ASN 75 1HD2
6 A ASN 75 2HD2
6 A ASN 90 1HD2
6 A ASN 90 2HD2
6 A GLN 91 1HE2
6 A GLN 91 2HE2
6 A ASN 92 1HD2
6 A ASN 92 2HD2
6 A ASN 106 1HD2
6 A ASN 106 2HD2
6 A GLN 108 1HE2
6 A GLN 108 2HE2
6 A GLN 114 1HE2
6 A GLN 114 2HE2
7 A ASN 14 1HD2
7 A ASN 14 2HD2
7 A ASN 31 1HD2
7 A ASN 31 2HD2
7 A GLN 35 1HE2
7 A GLN 35 2HE2
7 A GLN 37 1HE2
7 A GLN 37 2HE2
7 A GLN 67 1HE2
7 A GLN 67 2HE2
7 A ASN 75 1HD2
7 A ASN 75 2HD2
7 A ASN 90 1HD2
7 A ASN 90 2HD2
7 A GLN 91 1HE2
7 A GLN 91 2HE2
7 A ASN 92 1HD2
7 A ASN 92 2HD2
7 A ASN 106 1HD2
7 A ASN 106 2HD2
7 A GLN 108 1HE2
7 A GLN 108 2HE2
7 A GLN 114 1HE2
7 A GLN 114 2HE2
8 A ASN 14 1HD2
8 A ASN 14 2HD2
8 A ASN 31 1HD2
8 A ASN 31 2HD2
8 A GLN 35 1HE2
8 A GLN 35 2HE2
8 A GLN 37 1HE2
8 A GLN 37 2HE2
8 A GLN 67 1HE2
8 A GLN 67 2HE2
8 A ASN 75 1HD2
8 A ASN 75 2HD2
8 A ASN 90 1HD2
8 A ASN 90 2HD2
8 A GLN 91 1HE2
8 A GLN 91 2HE2
8 A ASN 92 1HD2
8 A ASN 92 2HD2
8 A ASN 106 1HD2
8 A ASN 106 2HD2
8 A GLN 108 1HE2
8 A GLN 108 2HE2
8 A GLN 114 1HE2
8 A GLN 114 2HE2
9 A ASN 14 1HD2
9 A ASN 14 2HD2
9 A ASN 31 1HD2
9 A ASN 31 2HD2
9 A GLN 35 1HE2
9 A GLN 35 2HE2
9 A GLN 37 1HE2
9 A GLN 37 2HE2
9 A GLN 67 1HE2
9 A GLN 67 2HE2
9 A ASN 75 1HD2
9 A ASN 75 2HD2
9 A ASN 90 1HD2
9 A ASN 90 2HD2
9 A GLN 91 1HE2
9 A GLN 91 2HE2
9 A ASN 92 1HD2
9 A ASN 92 2HD2
9 A ASN 106 1HD2
9 A ASN 106 2HD2
9 A GLN 108 1HE2
9 A GLN 108 2HE2
9 A GLN 114 1HE2
9 A GLN 114 2HE2
10 A ASN 14 1HD2
10 A ASN 14 2HD2
10 A ASN 31 1HD2
10 A ASN 31 2HD2
10 A GLN 35 1HE2
10 A GLN 35 2HE2
10 A GLN 37 1HE2
10 A GLN 37 2HE2
10 A GLN 67 1HE2
10 A GLN 67 2HE2
10 A ASN 75 1HD2
10 A ASN 75 2HD2
10 A ASN 90 1HD2
10 A ASN 90 2HD2
10 A GLN 91 1HE2
10 A GLN 91 2HE2
10 A ASN 92 1HD2
10 A ASN 92 2HD2
10 A ASN 106 1HD2
10 A ASN 106 2HD2
10 A GLN 108 1HE2
10 A GLN 108 2HE2
10 A GLN 114 1HE2
10 A GLN 114 2HE2
11 A ASN 14 1HD2
11 A ASN 14 2HD2
11 A ASN 31 1HD2
11 A ASN 31 2HD2
11 A GLN 35 1HE2
11 A GLN 35 2HE2
11 A GLN 37 1HE2
11 A GLN 37 2HE2
11 A GLN 67 1HE2
11 A GLN 67 2HE2
11 A ASN 75 1HD2
11 A ASN 75 2HD2
11 A ASN 90 1HD2
11 A ASN 90 2HD2
11 A GLN 91 1HE2
11 A GLN 91 2HE2
11 A ASN 92 1HD2
11 A ASN 92 2HD2
11 A ASN 106 1HD2
11 A ASN 106 2HD2
11 A GLN 108 1HE2
11 A GLN 108 2HE2
11 A GLN 114 1HE2
11 A GLN 114 2HE2
12 A ASN 14 1HD2
12 A ASN 14 2HD2
12 A ASN 31 1HD2
12 A ASN 31 2HD2
12 A GLN 35 1HE2
12 A GLN 35 2HE2
12 A GLN 37 1HE2
12 A GLN 37 2HE2
12 A GLN 67 1HE2
12 A GLN 67 2HE2
12 A ASN 75 1HD2
12 A ASN 75 2HD2
12 A ASN 90 1HD2
12 A ASN 90 2HD2
12 A GLN 91 1HE2
12 A GLN 91 2HE2
12 A ASN 92 1HD2
12 A ASN 92 2HD2
12 A ASN 106 1HD2
12 A ASN 106 2HD2
12 A GLN 108 1HE2
12 A GLN 108 2HE2
12 A GLN 114 1HE2
12 A GLN 114 2HE2
13 A ASN 14 1HD2
13 A ASN 14 2HD2
13 A ASN 31 1HD2
13 A ASN 31 2HD2
13 A GLN 35 1HE2
13 A GLN 35 2HE2
13 A GLN 37 1HE2
13 A GLN 37 2HE2
13 A GLN 67 1HE2
13 A GLN 67 2HE2
13 A ASN 75 1HD2
13 A ASN 75 2HD2
13 A ASN 90 1HD2
13 A ASN 90 2HD2
13 A GLN 91 1HE2
13 A GLN 91 2HE2
13 A ASN 92 1HD2
13 A ASN 92 2HD2
13 A ASN 106 1HD2
13 A ASN 106 2HD2
13 A GLN 108 1HE2
13 A GLN 108 2HE2
13 A GLN 114 1HE2
13 A GLN 114 2HE2
14 A ASN 14 1HD2
14 A ASN 14 2HD2
14 A ASN 31 1HD2
14 A ASN 31 2HD2
14 A GLN 35 1HE2
14 A GLN 35 2HE2
14 A GLN 37 1HE2
14 A GLN 37 2HE2
14 A GLN 67 1HE2
14 A GLN 67 2HE2
14 A ASN 75 1HD2
14 A ASN 75 2HD2
14 A ASN 90 1HD2
14 A ASN 90 2HD2
14 A GLN 91 1HE2
14 A GLN 91 2HE2
14 A ASN 92 1HD2
14 A ASN 92 2HD2
14 A ASN 106 1HD2
14 A ASN 106 2HD2
14 A GLN 108 1HE2
14 A GLN 108 2HE2
14 A GLN 114 1HE2
14 A GLN 114 2HE2
15 A ASN 14 1HD2
15 A ASN 14 2HD2
15 A ASN 31 1HD2
15 A ASN 31 2HD2
15 A GLN 35 1HE2
15 A GLN 35 2HE2
15 A GLN 37 1HE2
15 A GLN 37 2HE2
15 A GLN 67 1HE2
15 A GLN 67 2HE2
15 A ASN 75 1HD2
15 A ASN 75 2HD2
15 A ASN 90 1HD2
15 A ASN 90 2HD2
15 A GLN 91 1HE2
15 A GLN 91 2HE2
15 A ASN 92 1HD2
15 A ASN 92 2HD2
15 A ASN 106 1HD2
15 A ASN 106 2HD2
15 A GLN 108 1HE2
15 A GLN 108 2HE2
15 A GLN 114 1HE2
15 A GLN 114 2HE2
16 A ASN 14 1HD2
16 A ASN 14 2HD2
16 A ASN 31 1HD2
16 A ASN 31 2HD2
16 A GLN 35 1HE2
16 A GLN 35 2HE2
16 A GLN 37 1HE2
16 A GLN 37 2HE2
16 A GLN 67 1HE2
16 A GLN 67 2HE2
16 A ASN 75 1HD2
16 A ASN 75 2HD2
16 A ASN 90 1HD2
16 A ASN 90 2HD2
16 A GLN 91 1HE2
16 A GLN 91 2HE2
16 A ASN 92 1HD2
16 A ASN 92 2HD2
16 A ASN 106 1HD2
16 A ASN 106 2HD2
16 A GLN 108 1HE2
16 A GLN 108 2HE2
16 A GLN 114 1HE2
16 A GLN 114 2HE2
17 A ASN 14 1HD2
17 A ASN 14 2HD2
17 A ASN 31 1HD2
17 A ASN 31 2HD2
17 A GLN 35 1HE2
17 A GLN 35 2HE2
17 A GLN 37 1HE2
17 A GLN 37 2HE2
17 A GLN 67 1HE2
17 A GLN 67 2HE2
17 A ASN 75 1HD2
17 A ASN 75 2HD2
17 A ASN 90 1HD2
17 A ASN 90 2HD2
17 A GLN 91 1HE2
17 A GLN 91 2HE2
17 A ASN 92 1HD2
17 A ASN 92 2HD2
17 A ASN 106 1HD2
17 A ASN 106 2HD2
17 A GLN 108 1HE2
17 A GLN 108 2HE2
17 A GLN 114 1HE2
17 A GLN 114 2HE2
18 A ASN 14 1HD2
18 A ASN 14 2HD2
18 A ASN 31 1HD2
18 A ASN 31 2HD2
18 A GLN 35 1HE2
18 A GLN 35 2HE2
18 A GLN 37 1HE2
18 A GLN 37 2HE2
18 A GLN 67 1HE2
18 A GLN 67 2HE2
18 A ASN 75 1HD2
18 A ASN 75 2HD2
18 A ASN 90 1HD2
18 A ASN 90 2HD2
18 A GLN 91 1HE2
18 A GLN 91 2HE2
18 A ASN 92 1HD2
18 A ASN 92 2HD2
18 A ASN 106 1HD2
18 A ASN 106 2HD2
18 A GLN 108 1HE2
18 A GLN 108 2HE2
18 A GLN 114 1HE2
18 A GLN 114 2HE2
19 A ASN 14 1HD2
19 A ASN 14 2HD2
19 A ASN 31 1HD2
19 A ASN 31 2HD2
19 A GLN 35 1HE2
19 A GLN 35 2HE2
19 A GLN 37 1HE2
19 A GLN 37 2HE2
19 A GLN 67 1HE2
19 A GLN 67 2HE2
19 A ASN 75 1HD2
19 A ASN 75 2HD2
19 A ASN 90 1HD2
19 A ASN 90 2HD2
19 A GLN 91 1HE2
19 A GLN 91 2HE2
19 A ASN 92 1HD2
19 A ASN 92 2HD2
19 A ASN 106 1HD2
19 A ASN 106 2HD2
19 A GLN 108 1HE2
19 A GLN 108 2HE2
19 A GLN 114 1HE2
19 A GLN 114 2HE2
20 A ASN 14 1HD2
20 A ASN 14 2HD2
20 A ASN 31 1HD2
20 A ASN 31 2HD2
20 A GLN 35 1HE2
20 A GLN 35 2HE2
20 A GLN 37 1HE2
20 A GLN 37 2HE2
20 A GLN 67 1HE2
20 A GLN 67 2HE2
20 A ASN 75 1HD2
20 A ASN 75 2HD2
20 A ASN 90 1HD2
20 A ASN 90 2HD2
20 A GLN 91 1HE2
20 A GLN 91 2HE2
20 A ASN 92 1HD2
20 A ASN 92 2HD2
20 A ASN 106 1HD2
20 A ASN 106 2HD2
20 A GLN 108 1HE2
20 A GLN 108 2HE2
20 A GLN 114 1HE2
20 A GLN 114 2HE2
OTHER IMPORTANT ISSUES
==> The following residues are missing:
(Note: The SEQ number starts from 1 for each chain according to SEQRES
sequence record.)
RES MOD#C SEQ
MET( 1 A-121 )
GLY( 1 A-120 )
HIS( 1 A-119 )
HIS( 1 A-118 )
HIS( 1 A-117 )
HIS( 1 A-116 )
HIS( 1 A-115 )
HIS( 1 A-114 )
SER( 1 A-113 )
HIS( 1 A-112 )
MET( 1 A-111 )
THR( 1 A-110 )
GLY( 1 A-109 )
ASN( 1 A-108 )
VAL( 1 A-107 )
CYS( 1 A-106 )
ILE( 1 A-105 )
GLU( 1 A-104 )
GLU( 1 A-103 )
ILE( 1 A-102 )
ASP( 1 A-101 )
VAL( 1 A-100 )
ASP( 1 A -99 )
GLY( 1 A -98 )
LYS( 1 A -97 )
PHE( 1 A -96 )
ILE( 1 A -95 )
ARG( 1 A -94 )
LEU( 1 A -93 )
LYS( 1 A -92 )
ASN( 1 A -91 )
THR( 1 A -90 )
SER( 1 A -89 )
GLU( 1 A -88 )
GLN( 1 A -87 )
ASP( 1 A -86 )
GLN( 1 A -85 )
PRO( 1 A -84 )
MET( 1 A -83 )
GLY( 1 A -82 )
GLY( 1 A -81 )
TRP( 1 A -80 )
GLU( 1 A -79 )
MET( 1 A -78 )
ILE( 1 A -77 )
ARG( 1 A -76 )
LYS( 1 A -75 )
ILE( 1 A -74 )
GLY( 1 A -73 )
ASP( 1 A -72 )
THR( 1 A -71 )
SER( 1 A -70 )
VAL( 1 A -69 )
SER( 1 A -68 )
TYR( 1 A -67 )
LYS( 1 A -66 )
TYR( 1 A -65 )
THR( 1 A -64 )
SER( 1 A -63 )
ARG( 1 A -62 )
TYR( 1 A -61 )
VAL( 1 A -60 )
LEU( 1 A -59 )
LYS( 1 A -58 )
ALA( 1 A -57 )
GLY( 1 A -56 )
GLN( 1 A -55 )
THR( 1 A -54 )
VAL( 1 A -53 )
THR( 1 A -52 )
ILE( 1 A -51 )
TRP( 1 A -50 )
ALA( 1 A -49 )
ALA( 1 A -48 )
ASN( 1 A -47 )
ALA( 1 A -46 )
GLY( 1 A -45 )
VAL( 1 A -44 )
THR( 1 A -43 )
ALA( 1 A -42 )
SER( 1 A -41 )
PRO( 1 A -40 )
PRO( 1 A -39 )
THR( 1 A -38 )
ASP( 1 A -37 )
LEU( 1 A -36 )
ILE( 1 A -35 )
TRP( 1 A -34 )
LYS( 1 A -33 )
ASN( 1 A -32 )
GLN( 1 A -31 )
ASN( 1 A -30 )
SER( 1 A -29 )
TRP( 1 A -28 )
GLY( 1 A -27 )
THR( 1 A -26 )
GLY( 1 A -25 )
GLU( 1 A -24 )
ASP( 1 A -23 )
VAL( 1 A -22 )
LYS( 1 A -21 )
VAL( 1 A -20 )
ILE( 1 A -19 )
LEU( 1 A -18 )
LYS( 1 A -17 )
ASN( 1 A -16 )
SER( 1 A -15 )
GLN( 1 A -14 )
GLY( 1 A -13 )
GLU( 1 A -12 )
GLU( 1 A -11 )
VAL( 1 A -10 )
ALA( 1 A -9 )
GLN( 1 A -8 )
ARG( 1 A -7 )
SER( 1 A -6 )
THR( 1 A -5 )
VAL( 1 A -4 )
PHE( 1 A -3 )
LYS( 1 A -2 )
THR( 1 A -1 )
THR( 1 A 0 )
MET( 2 A-121 )
GLY( 2 A-120 )
HIS( 2 A-119 )
HIS( 2 A-118 )
HIS( 2 A-117 )
HIS( 2 A-116 )
HIS( 2 A-115 )
HIS( 2 A-114 )
SER( 2 A-113 )
HIS( 2 A-112 )
MET( 2 A-111 )
THR( 2 A-110 )
GLY( 2 A-109 )
ASN( 2 A-108 )
VAL( 2 A-107 )
CYS( 2 A-106 )
ILE( 2 A-105 )
GLU( 2 A-104 )
GLU( 2 A-103 )
ILE( 2 A-102 )
ASP( 2 A-101 )
VAL( 2 A-100 )
ASP( 2 A -99 )
GLY( 2 A -98 )
LYS( 2 A -97 )
PHE( 2 A -96 )
ILE( 2 A -95 )
ARG( 2 A -94 )
LEU( 2 A -93 )
LYS( 2 A -92 )
ASN( 2 A -91 )
THR( 2 A -90 )
SER( 2 A -89 )
GLU( 2 A -88 )
GLN( 2 A -87 )
ASP( 2 A -86 )
GLN( 2 A -85 )
PRO( 2 A -84 )
MET( 2 A -83 )
GLY( 2 A -82 )
GLY( 2 A -81 )
TRP( 2 A -80 )
GLU( 2 A -79 )
MET( 2 A -78 )
ILE( 2 A -77 )
ARG( 2 A -76 )
LYS( 2 A -75 )
ILE( 2 A -74 )
GLY( 2 A -73 )
ASP( 2 A -72 )
THR( 2 A -71 )
SER( 2 A -70 )
VAL( 2 A -69 )
SER( 2 A -68 )
TYR( 2 A -67 )
LYS( 2 A -66 )
TYR( 2 A -65 )
THR( 2 A -64 )
SER( 2 A -63 )
ARG( 2 A -62 )
TYR( 2 A -61 )
VAL( 2 A -60 )
LEU( 2 A -59 )
LYS( 2 A -58 )
ALA( 2 A -57 )
GLY( 2 A -56 )
GLN( 2 A -55 )
THR( 2 A -54 )
VAL( 2 A -53 )
THR( 2 A -52 )
ILE( 2 A -51 )
TRP( 2 A -50 )
ALA( 2 A -49 )
ALA( 2 A -48 )
ASN( 2 A -47 )
ALA( 2 A -46 )
GLY( 2 A -45 )
VAL( 2 A -44 )
THR( 2 A -43 )
ALA( 2 A -42 )
SER( 2 A -41 )
PRO( 2 A -40 )
PRO( 2 A -39 )
THR( 2 A -38 )
ASP( 2 A -37 )
LEU( 2 A -36 )
ILE( 2 A -35 )
TRP( 2 A -34 )
LYS( 2 A -33 )
ASN( 2 A -32 )
GLN( 2 A -31 )
ASN( 2 A -30 )
SER( 2 A -29 )
TRP( 2 A -28 )
GLY( 2 A -27 )
THR( 2 A -26 )
GLY( 2 A -25 )
GLU( 2 A -24 )
ASP( 2 A -23 )
VAL( 2 A -22 )
LYS( 2 A -21 )
VAL( 2 A -20 )
ILE( 2 A -19 )
LEU( 2 A -18 )
LYS( 2 A -17 )
ASN( 2 A -16 )
SER( 2 A -15 )
GLN( 2 A -14 )
GLY( 2 A -13 )
GLU( 2 A -12 )
GLU( 2 A -11 )
VAL( 2 A -10 )
ALA( 2 A -9 )
GLN( 2 A -8 )
ARG( 2 A -7 )
SER( 2 A -6 )
THR( 2 A -5 )
VAL( 2 A -4 )
PHE( 2 A -3 )
LYS( 2 A -2 )
THR( 2 A -1 )
THR( 2 A 0 )
MET( 3 A-121 )
GLY( 3 A-120 )
HIS( 3 A-119 )
HIS( 3 A-118 )
HIS( 3 A-117 )
HIS( 3 A-116 )
HIS( 3 A-115 )
HIS( 3 A-114 )
SER( 3 A-113 )
HIS( 3 A-112 )
MET( 3 A-111 )
THR( 3 A-110 )
GLY( 3 A-109 )
ASN( 3 A-108 )
VAL( 3 A-107 )
CYS( 3 A-106 )
ILE( 3 A-105 )
GLU( 3 A-104 )
GLU( 3 A-103 )
ILE( 3 A-102 )
ASP( 3 A-101 )
VAL( 3 A-100 )
ASP( 3 A -99 )
GLY( 3 A -98 )
LYS( 3 A -97 )
PHE( 3 A -96 )
ILE( 3 A -95 )
ARG( 3 A -94 )
LEU( 3 A -93 )
LYS( 3 A -92 )
ASN( 3 A -91 )
THR( 3 A -90 )
SER( 3 A -89 )
GLU( 3 A -88 )
GLN( 3 A -87 )
ASP( 3 A -86 )
GLN( 3 A -85 )
PRO( 3 A -84 )
MET( 3 A -83 )
GLY( 3 A -82 )
GLY( 3 A -81 )
TRP( 3 A -80 )
GLU( 3 A -79 )
MET( 3 A -78 )
ILE( 3 A -77 )
ARG( 3 A -76 )
LYS( 3 A -75 )
ILE( 3 A -74 )
GLY( 3 A -73 )
ASP( 3 A -72 )
THR( 3 A -71 )
SER( 3 A -70 )
VAL( 3 A -69 )
SER( 3 A -68 )
TYR( 3 A -67 )
LYS( 3 A -66 )
TYR( 3 A -65 )
THR( 3 A -64 )
SER( 3 A -63 )
ARG( 3 A -62 )
TYR( 3 A -61 )
VAL( 3 A -60 )
LEU( 3 A -59 )
LYS( 3 A -58 )
ALA( 3 A -57 )
GLY( 3 A -56 )
GLN( 3 A -55 )
THR( 3 A -54 )
VAL( 3 A -53 )
THR( 3 A -52 )
ILE( 3 A -51 )
TRP( 3 A -50 )
ALA( 3 A -49 )
ALA( 3 A -48 )
ASN( 3 A -47 )
ALA( 3 A -46 )
GLY( 3 A -45 )
VAL( 3 A -44 )
THR( 3 A -43 )
ALA( 3 A -42 )
SER( 3 A -41 )
PRO( 3 A -40 )
PRO( 3 A -39 )
THR( 3 A -38 )
ASP( 3 A -37 )
LEU( 3 A -36 )
ILE( 3 A -35 )
TRP( 3 A -34 )
LYS( 3 A -33 )
ASN( 3 A -32 )
GLN( 3 A -31 )
ASN( 3 A -30 )
SER( 3 A -29 )
TRP( 3 A -28 )
GLY( 3 A -27 )
THR( 3 A -26 )
GLY( 3 A -25 )
GLU( 3 A -24 )
ASP( 3 A -23 )
VAL( 3 A -22 )
LYS( 3 A -21 )
VAL( 3 A -20 )
ILE( 3 A -19 )
LEU( 3 A -18 )
LYS( 3 A -17 )
ASN( 3 A -16 )
SER( 3 A -15 )
GLN( 3 A -14 )
GLY( 3 A -13 )
GLU( 3 A -12 )
GLU( 3 A -11 )
VAL( 3 A -10 )
ALA( 3 A -9 )
GLN( 3 A -8 )
ARG( 3 A -7 )
SER( 3 A -6 )
THR( 3 A -5 )
VAL( 3 A -4 )
PHE( 3 A -3 )
LYS( 3 A -2 )
THR( 3 A -1 )
THR( 3 A 0 )
MET( 4 A-121 )
GLY( 4 A-120 )
HIS( 4 A-119 )
HIS( 4 A-118 )
HIS( 4 A-117 )
HIS( 4 A-116 )
HIS( 4 A-115 )
HIS( 4 A-114 )
SER( 4 A-113 )
HIS( 4 A-112 )
MET( 4 A-111 )
THR( 4 A-110 )
GLY( 4 A-109 )
ASN( 4 A-108 )
VAL( 4 A-107 )
CYS( 4 A-106 )
ILE( 4 A-105 )
GLU( 4 A-104 )
GLU( 4 A-103 )
ILE( 4 A-102 )
ASP( 4 A-101 )
VAL( 4 A-100 )
ASP( 4 A -99 )
GLY( 4 A -98 )
LYS( 4 A -97 )
PHE( 4 A -96 )
ILE( 4 A -95 )
ARG( 4 A -94 )
LEU( 4 A -93 )
LYS( 4 A -92 )
ASN( 4 A -91 )
THR( 4 A -90 )
SER( 4 A -89 )
GLU( 4 A -88 )
GLN( 4 A -87 )
ASP( 4 A -86 )
GLN( 4 A -85 )
PRO( 4 A -84 )
MET( 4 A -83 )
GLY( 4 A -82 )
GLY( 4 A -81 )
TRP( 4 A -80 )
GLU( 4 A -79 )
MET( 4 A -78 )
ILE( 4 A -77 )
ARG( 4 A -76 )
LYS( 4 A -75 )
ILE( 4 A -74 )
GLY( 4 A -73 )
ASP( 4 A -72 )
THR( 4 A -71 )
SER( 4 A -70 )
VAL( 4 A -69 )
SER( 4 A -68 )
TYR( 4 A -67 )
LYS( 4 A -66 )
TYR( 4 A -65 )
THR( 4 A -64 )
SER( 4 A -63 )
ARG( 4 A -62 )
TYR( 4 A -61 )
VAL( 4 A -60 )
LEU( 4 A -59 )
LYS( 4 A -58 )
ALA( 4 A -57 )
GLY( 4 A -56 )
GLN( 4 A -55 )
THR( 4 A -54 )
VAL( 4 A -53 )
THR( 4 A -52 )
ILE( 4 A -51 )
TRP( 4 A -50 )
ALA( 4 A -49 )
ALA( 4 A -48 )
ASN( 4 A -47 )
ALA( 4 A -46 )
GLY( 4 A -45 )
VAL( 4 A -44 )
THR( 4 A -43 )
ALA( 4 A -42 )
SER( 4 A -41 )
PRO( 4 A -40 )
PRO( 4 A -39 )
THR( 4 A -38 )
ASP( 4 A -37 )
LEU( 4 A -36 )
ILE( 4 A -35 )
TRP( 4 A -34 )
LYS( 4 A -33 )
ASN( 4 A -32 )
GLN( 4 A -31 )
ASN( 4 A -30 )
SER( 4 A -29 )
TRP( 4 A -28 )
GLY( 4 A -27 )
THR( 4 A -26 )
GLY( 4 A -25 )
GLU( 4 A -24 )
ASP( 4 A -23 )
VAL( 4 A -22 )
LYS( 4 A -21 )
VAL( 4 A -20 )
ILE( 4 A -19 )
LEU( 4 A -18 )
LYS( 4 A -17 )
ASN( 4 A -16 )
SER( 4 A -15 )
GLN( 4 A -14 )
GLY( 4 A -13 )
GLU( 4 A -12 )
GLU( 4 A -11 )
VAL( 4 A -10 )
ALA( 4 A -9 )
GLN( 4 A -8 )
ARG( 4 A -7 )
SER( 4 A -6 )
THR( 4 A -5 )
VAL( 4 A -4 )
PHE( 4 A -3 )
LYS( 4 A -2 )
THR( 4 A -1 )
THR( 4 A 0 )
MET( 5 A-121 )
GLY( 5 A-120 )
HIS( 5 A-119 )
HIS( 5 A-118 )
HIS( 5 A-117 )
HIS( 5 A-116 )
HIS( 5 A-115 )
HIS( 5 A-114 )
SER( 5 A-113 )
HIS( 5 A-112 )
MET( 5 A-111 )
THR( 5 A-110 )
GLY( 5 A-109 )
ASN( 5 A-108 )
VAL( 5 A-107 )
CYS( 5 A-106 )
ILE( 5 A-105 )
GLU( 5 A-104 )
GLU( 5 A-103 )
ILE( 5 A-102 )
ASP( 5 A-101 )
VAL( 5 A-100 )
ASP( 5 A -99 )
GLY( 5 A -98 )
LYS( 5 A -97 )
PHE( 5 A -96 )
ILE( 5 A -95 )
ARG( 5 A -94 )
LEU( 5 A -93 )
LYS( 5 A -92 )
ASN( 5 A -91 )
THR( 5 A -90 )
SER( 5 A -89 )
GLU( 5 A -88 )
GLN( 5 A -87 )
ASP( 5 A -86 )
GLN( 5 A -85 )
PRO( 5 A -84 )
MET( 5 A -83 )
GLY( 5 A -82 )
GLY( 5 A -81 )
TRP( 5 A -80 )
GLU( 5 A -79 )
MET( 5 A -78 )
ILE( 5 A -77 )
ARG( 5 A -76 )
LYS( 5 A -75 )
ILE( 5 A -74 )
GLY( 5 A -73 )
ASP( 5 A -72 )
THR( 5 A -71 )
SER( 5 A -70 )
VAL( 5 A -69 )
SER( 5 A -68 )
TYR( 5 A -67 )
LYS( 5 A -66 )
TYR( 5 A -65 )
THR( 5 A -64 )
SER( 5 A -63 )
ARG( 5 A -62 )
TYR( 5 A -61 )
VAL( 5 A -60 )
LEU( 5 A -59 )
LYS( 5 A -58 )
ALA( 5 A -57 )
GLY( 5 A -56 )
GLN( 5 A -55 )
THR( 5 A -54 )
VAL( 5 A -53 )
THR( 5 A -52 )
ILE( 5 A -51 )
TRP( 5 A -50 )
ALA( 5 A -49 )
ALA( 5 A -48 )
ASN( 5 A -47 )
ALA( 5 A -46 )
GLY( 5 A -45 )
VAL( 5 A -44 )
THR( 5 A -43 )
ALA( 5 A -42 )
SER( 5 A -41 )
PRO( 5 A -40 )
PRO( 5 A -39 )
THR( 5 A -38 )
ASP( 5 A -37 )
LEU( 5 A -36 )
ILE( 5 A -35 )
TRP( 5 A -34 )
LYS( 5 A -33 )
ASN( 5 A -32 )
GLN( 5 A -31 )
ASN( 5 A -30 )
SER( 5 A -29 )
TRP( 5 A -28 )
GLY( 5 A -27 )
THR( 5 A -26 )
GLY( 5 A -25 )
GLU( 5 A -24 )
ASP( 5 A -23 )
VAL( 5 A -22 )
LYS( 5 A -21 )
VAL( 5 A -20 )
ILE( 5 A -19 )
LEU( 5 A -18 )
LYS( 5 A -17 )
ASN( 5 A -16 )
SER( 5 A -15 )
GLN( 5 A -14 )
GLY( 5 A -13 )
GLU( 5 A -12 )
GLU( 5 A -11 )
VAL( 5 A -10 )
ALA( 5 A -9 )
GLN( 5 A -8 )
ARG( 5 A -7 )
SER( 5 A -6 )
THR( 5 A -5 )
VAL( 5 A -4 )
PHE( 5 A -3 )
LYS( 5 A -2 )
THR( 5 A -1 )
THR( 5 A 0 )
MET( 6 A-121 )
GLY( 6 A-120 )
HIS( 6 A-119 )
HIS( 6 A-118 )
HIS( 6 A-117 )
HIS( 6 A-116 )
HIS( 6 A-115 )
HIS( 6 A-114 )
SER( 6 A-113 )
HIS( 6 A-112 )
MET( 6 A-111 )
THR( 6 A-110 )
GLY( 6 A-109 )
ASN( 6 A-108 )
VAL( 6 A-107 )
CYS( 6 A-106 )
ILE( 6 A-105 )
GLU( 6 A-104 )
GLU( 6 A-103 )
ILE( 6 A-102 )
ASP( 6 A-101 )
VAL( 6 A-100 )
ASP( 6 A -99 )
GLY( 6 A -98 )
LYS( 6 A -97 )
PHE( 6 A -96 )
ILE( 6 A -95 )
ARG( 6 A -94 )
LEU( 6 A -93 )
LYS( 6 A -92 )
ASN( 6 A -91 )
THR( 6 A -90 )
SER( 6 A -89 )
GLU( 6 A -88 )
GLN( 6 A -87 )
ASP( 6 A -86 )
GLN( 6 A -85 )
PRO( 6 A -84 )
MET( 6 A -83 )
GLY( 6 A -82 )
GLY( 6 A -81 )
TRP( 6 A -80 )
GLU( 6 A -79 )
MET( 6 A -78 )
ILE( 6 A -77 )
ARG( 6 A -76 )
LYS( 6 A -75 )
ILE( 6 A -74 )
GLY( 6 A -73 )
ASP( 6 A -72 )
THR( 6 A -71 )
SER( 6 A -70 )
VAL( 6 A -69 )
SER( 6 A -68 )
TYR( 6 A -67 )
LYS( 6 A -66 )
TYR( 6 A -65 )
THR( 6 A -64 )
SER( 6 A -63 )
ARG( 6 A -62 )
TYR( 6 A -61 )
VAL( 6 A -60 )
LEU( 6 A -59 )
LYS( 6 A -58 )
ALA( 6 A -57 )
GLY( 6 A -56 )
GLN( 6 A -55 )
THR( 6 A -54 )
VAL( 6 A -53 )
THR( 6 A -52 )
ILE( 6 A -51 )
TRP( 6 A -50 )
ALA( 6 A -49 )
ALA( 6 A -48 )
ASN( 6 A -47 )
ALA( 6 A -46 )
GLY( 6 A -45 )
VAL( 6 A -44 )
THR( 6 A -43 )
ALA( 6 A -42 )
SER( 6 A -41 )
PRO( 6 A -40 )
PRO( 6 A -39 )
THR( 6 A -38 )
ASP( 6 A -37 )
LEU( 6 A -36 )
ILE( 6 A -35 )
TRP( 6 A -34 )
LYS( 6 A -33 )
ASN( 6 A -32 )
GLN( 6 A -31 )
ASN( 6 A -30 )
SER( 6 A -29 )
TRP( 6 A -28 )
GLY( 6 A -27 )
THR( 6 A -26 )
GLY( 6 A -25 )
GLU( 6 A -24 )
ASP( 6 A -23 )
VAL( 6 A -22 )
LYS( 6 A -21 )
VAL( 6 A -20 )
ILE( 6 A -19 )
LEU( 6 A -18 )
LYS( 6 A -17 )
ASN( 6 A -16 )
SER( 6 A -15 )
GLN( 6 A -14 )
GLY( 6 A -13 )
GLU( 6 A -12 )
GLU( 6 A -11 )
VAL( 6 A -10 )
ALA( 6 A -9 )
GLN( 6 A -8 )
ARG( 6 A -7 )
SER( 6 A -6 )
THR( 6 A -5 )
VAL( 6 A -4 )
PHE( 6 A -3 )
LYS( 6 A -2 )
THR( 6 A -1 )
THR( 6 A 0 )
MET( 7 A-121 )
GLY( 7 A-120 )
HIS( 7 A-119 )
HIS( 7 A-118 )
HIS( 7 A-117 )
HIS( 7 A-116 )
HIS( 7 A-115 )
HIS( 7 A-114 )
SER( 7 A-113 )
HIS( 7 A-112 )
MET( 7 A-111 )
THR( 7 A-110 )
GLY( 7 A-109 )
ASN( 7 A-108 )
VAL( 7 A-107 )
CYS( 7 A-106 )
ILE( 7 A-105 )
GLU( 7 A-104 )
GLU( 7 A-103 )
ILE( 7 A-102 )
ASP( 7 A-101 )
VAL( 7 A-100 )
ASP( 7 A -99 )
GLY( 7 A -98 )
LYS( 7 A -97 )
PHE( 7 A -96 )
ILE( 7 A -95 )
ARG( 7 A -94 )
LEU( 7 A -93 )
LYS( 7 A -92 )
ASN( 7 A -91 )
THR( 7 A -90 )
SER( 7 A -89 )
GLU( 7 A -88 )
GLN( 7 A -87 )
ASP( 7 A -86 )
GLN( 7 A -85 )
PRO( 7 A -84 )
MET( 7 A -83 )
GLY( 7 A -82 )
GLY( 7 A -81 )
TRP( 7 A -80 )
GLU( 7 A -79 )
MET( 7 A -78 )
ILE( 7 A -77 )
ARG( 7 A -76 )
LYS( 7 A -75 )
ILE( 7 A -74 )
GLY( 7 A -73 )
ASP( 7 A -72 )
THR( 7 A -71 )
SER( 7 A -70 )
VAL( 7 A -69 )
SER( 7 A -68 )
TYR( 7 A -67 )
LYS( 7 A -66 )
TYR( 7 A -65 )
THR( 7 A -64 )
SER( 7 A -63 )
ARG( 7 A -62 )
TYR( 7 A -61 )
VAL( 7 A -60 )
LEU( 7 A -59 )
LYS( 7 A -58 )
ALA( 7 A -57 )
GLY( 7 A -56 )
GLN( 7 A -55 )
THR( 7 A -54 )
VAL( 7 A -53 )
THR( 7 A -52 )
ILE( 7 A -51 )
TRP( 7 A -50 )
ALA( 7 A -49 )
ALA( 7 A -48 )
ASN( 7 A -47 )
ALA( 7 A -46 )
GLY( 7 A -45 )
VAL( 7 A -44 )
THR( 7 A -43 )
ALA( 7 A -42 )
SER( 7 A -41 )
PRO( 7 A -40 )
PRO( 7 A -39 )
THR( 7 A -38 )
ASP( 7 A -37 )
LEU( 7 A -36 )
ILE( 7 A -35 )
TRP( 7 A -34 )
LYS( 7 A -33 )
ASN( 7 A -32 )
GLN( 7 A -31 )
ASN( 7 A -30 )
SER( 7 A -29 )
TRP( 7 A -28 )
GLY( 7 A -27 )
THR( 7 A -26 )
GLY( 7 A -25 )
GLU( 7 A -24 )
ASP( 7 A -23 )
VAL( 7 A -22 )
LYS( 7 A -21 )
VAL( 7 A -20 )
ILE( 7 A -19 )
LEU( 7 A -18 )
LYS( 7 A -17 )
ASN( 7 A -16 )
SER( 7 A -15 )
GLN( 7 A -14 )
GLY( 7 A -13 )
GLU( 7 A -12 )
GLU( 7 A -11 )
VAL( 7 A -10 )
ALA( 7 A -9 )
GLN( 7 A -8 )
ARG( 7 A -7 )
SER( 7 A -6 )
THR( 7 A -5 )
VAL( 7 A -4 )
PHE( 7 A -3 )
LYS( 7 A -2 )
THR( 7 A -1 )
THR( 7 A 0 )
MET( 8 A-121 )
GLY( 8 A-120 )
HIS( 8 A-119 )
HIS( 8 A-118 )
HIS( 8 A-117 )
HIS( 8 A-116 )
HIS( 8 A-115 )
HIS( 8 A-114 )
SER( 8 A-113 )
HIS( 8 A-112 )
MET( 8 A-111 )
THR( 8 A-110 )
GLY( 8 A-109 )
ASN( 8 A-108 )
VAL( 8 A-107 )
CYS( 8 A-106 )
ILE( 8 A-105 )
GLU( 8 A-104 )
GLU( 8 A-103 )
ILE( 8 A-102 )
ASP( 8 A-101 )
VAL( 8 A-100 )
ASP( 8 A -99 )
GLY( 8 A -98 )
LYS( 8 A -97 )
PHE( 8 A -96 )
ILE( 8 A -95 )
ARG( 8 A -94 )
LEU( 8 A -93 )
LYS( 8 A -92 )
ASN( 8 A -91 )
THR( 8 A -90 )
SER( 8 A -89 )
GLU( 8 A -88 )
GLN( 8 A -87 )
ASP( 8 A -86 )
GLN( 8 A -85 )
PRO( 8 A -84 )
MET( 8 A -83 )
GLY( 8 A -82 )
GLY( 8 A -81 )
TRP( 8 A -80 )
GLU( 8 A -79 )
MET( 8 A -78 )
ILE( 8 A -77 )
ARG( 8 A -76 )
LYS( 8 A -75 )
ILE( 8 A -74 )
GLY( 8 A -73 )
ASP( 8 A -72 )
THR( 8 A -71 )
SER( 8 A -70 )
VAL( 8 A -69 )
SER( 8 A -68 )
TYR( 8 A -67 )
LYS( 8 A -66 )
TYR( 8 A -65 )
THR( 8 A -64 )
SER( 8 A -63 )
ARG( 8 A -62 )
TYR( 8 A -61 )
VAL( 8 A -60 )
LEU( 8 A -59 )
LYS( 8 A -58 )
ALA( 8 A -57 )
GLY( 8 A -56 )
GLN( 8 A -55 )
THR( 8 A -54 )
VAL( 8 A -53 )
THR( 8 A -52 )
ILE( 8 A -51 )
TRP( 8 A -50 )
ALA( 8 A -49 )
ALA( 8 A -48 )
ASN( 8 A -47 )
ALA( 8 A -46 )
GLY( 8 A -45 )
VAL( 8 A -44 )
THR( 8 A -43 )
ALA( 8 A -42 )
SER( 8 A -41 )
PRO( 8 A -40 )
PRO( 8 A -39 )
THR( 8 A -38 )
ASP( 8 A -37 )
LEU( 8 A -36 )
ILE( 8 A -35 )
TRP( 8 A -34 )
LYS( 8 A -33 )
ASN( 8 A -32 )
GLN( 8 A -31 )
ASN( 8 A -30 )
SER( 8 A -29 )
TRP( 8 A -28 )
GLY( 8 A -27 )
THR( 8 A -26 )
GLY( 8 A -25 )
GLU( 8 A -24 )
ASP( 8 A -23 )
VAL( 8 A -22 )
LYS( 8 A -21 )
VAL( 8 A -20 )
ILE( 8 A -19 )
LEU( 8 A -18 )
LYS( 8 A -17 )
ASN( 8 A -16 )
SER( 8 A -15 )
GLN( 8 A -14 )
GLY( 8 A -13 )
GLU( 8 A -12 )
GLU( 8 A -11 )
VAL( 8 A -10 )
ALA( 8 A -9 )
GLN( 8 A -8 )
ARG( 8 A -7 )
SER( 8 A -6 )
THR( 8 A -5 )
VAL( 8 A -4 )
PHE( 8 A -3 )
LYS( 8 A -2 )
THR( 8 A -1 )
THR( 8 A 0 )
MET( 9 A-121 )
GLY( 9 A-120 )
HIS( 9 A-119 )
HIS( 9 A-118 )
HIS( 9 A-117 )
HIS( 9 A-116 )
HIS( 9 A-115 )
HIS( 9 A-114 )
SER( 9 A-113 )
HIS( 9 A-112 )
MET( 9 A-111 )
THR( 9 A-110 )
GLY( 9 A-109 )
ASN( 9 A-108 )
VAL( 9 A-107 )
CYS( 9 A-106 )
ILE( 9 A-105 )
GLU( 9 A-104 )
GLU( 9 A-103 )
ILE( 9 A-102 )
ASP( 9 A-101 )
VAL( 9 A-100 )
ASP( 9 A -99 )
GLY( 9 A -98 )
LYS( 9 A -97 )
PHE( 9 A -96 )
ILE( 9 A -95 )
ARG( 9 A -94 )
LEU( 9 A -93 )
LYS( 9 A -92 )
ASN( 9 A -91 )
THR( 9 A -90 )
SER( 9 A -89 )
GLU( 9 A -88 )
GLN( 9 A -87 )
ASP( 9 A -86 )
GLN( 9 A -85 )
PRO( 9 A -84 )
MET( 9 A -83 )
GLY( 9 A -82 )
GLY( 9 A -81 )
TRP( 9 A -80 )
GLU( 9 A -79 )
MET( 9 A -78 )
ILE( 9 A -77 )
ARG( 9 A -76 )
LYS( 9 A -75 )
ILE( 9 A -74 )
GLY( 9 A -73 )
ASP( 9 A -72 )
THR( 9 A -71 )
SER( 9 A -70 )
VAL( 9 A -69 )
SER( 9 A -68 )
TYR( 9 A -67 )
LYS( 9 A -66 )
TYR( 9 A -65 )
THR( 9 A -64 )
SER( 9 A -63 )
ARG( 9 A -62 )
TYR( 9 A -61 )
VAL( 9 A -60 )
LEU( 9 A -59 )
LYS( 9 A -58 )
ALA( 9 A -57 )
GLY( 9 A -56 )
GLN( 9 A -55 )
THR( 9 A -54 )
VAL( 9 A -53 )
THR( 9 A -52 )
ILE( 9 A -51 )
TRP( 9 A -50 )
ALA( 9 A -49 )
ALA( 9 A -48 )
ASN( 9 A -47 )
ALA( 9 A -46 )
GLY( 9 A -45 )
VAL( 9 A -44 )
THR( 9 A -43 )
ALA( 9 A -42 )
SER( 9 A -41 )
PRO( 9 A -40 )
PRO( 9 A -39 )
THR( 9 A -38 )
ASP( 9 A -37 )
LEU( 9 A -36 )
ILE( 9 A -35 )
TRP( 9 A -34 )
LYS( 9 A -33 )
ASN( 9 A -32 )
GLN( 9 A -31 )
ASN( 9 A -30 )
SER( 9 A -29 )
TRP( 9 A -28 )
GLY( 9 A -27 )
THR( 9 A -26 )
GLY( 9 A -25 )
GLU( 9 A -24 )
ASP( 9 A -23 )
VAL( 9 A -22 )
LYS( 9 A -21 )
VAL( 9 A -20 )
ILE( 9 A -19 )
LEU( 9 A -18 )
LYS( 9 A -17 )
ASN( 9 A -16 )
SER( 9 A -15 )
GLN( 9 A -14 )
GLY( 9 A -13 )
GLU( 9 A -12 )
GLU( 9 A -11 )
VAL( 9 A -10 )
ALA( 9 A -9 )
GLN( 9 A -8 )
ARG( 9 A -7 )
SER( 9 A -6 )
THR( 9 A -5 )
VAL( 9 A -4 )
PHE( 9 A -3 )
LYS( 9 A -2 )
THR( 9 A -1 )
THR( 9 A 0 )
MET( 10 A-121 )
GLY( 10 A-120 )
HIS( 10 A-119 )
HIS( 10 A-118 )
HIS( 10 A-117 )
HIS( 10 A-116 )
HIS( 10 A-115 )
HIS( 10 A-114 )
SER( 10 A-113 )
HIS( 10 A-112 )
MET( 10 A-111 )
THR( 10 A-110 )
GLY( 10 A-109 )
ASN( 10 A-108 )
VAL( 10 A-107 )
CYS( 10 A-106 )
ILE( 10 A-105 )
GLU( 10 A-104 )
GLU( 10 A-103 )
ILE( 10 A-102 )
ASP( 10 A-101 )
VAL( 10 A-100 )
ASP( 10 A -99 )
GLY( 10 A -98 )
LYS( 10 A -97 )
PHE( 10 A -96 )
ILE( 10 A -95 )
ARG( 10 A -94 )
LEU( 10 A -93 )
LYS( 10 A -92 )
ASN( 10 A -91 )
THR( 10 A -90 )
SER( 10 A -89 )
GLU( 10 A -88 )
GLN( 10 A -87 )
ASP( 10 A -86 )
GLN( 10 A -85 )
PRO( 10 A -84 )
MET( 10 A -83 )
GLY( 10 A -82 )
GLY( 10 A -81 )
TRP( 10 A -80 )
GLU( 10 A -79 )
MET( 10 A -78 )
ILE( 10 A -77 )
ARG( 10 A -76 )
LYS( 10 A -75 )
ILE( 10 A -74 )
GLY( 10 A -73 )
ASP( 10 A -72 )
THR( 10 A -71 )
SER( 10 A -70 )
VAL( 10 A -69 )
SER( 10 A -68 )
TYR( 10 A -67 )
LYS( 10 A -66 )
TYR( 10 A -65 )
THR( 10 A -64 )
SER( 10 A -63 )
ARG( 10 A -62 )
TYR( 10 A -61 )
VAL( 10 A -60 )
LEU( 10 A -59 )
LYS( 10 A -58 )
ALA( 10 A -57 )
GLY( 10 A -56 )
GLN( 10 A -55 )
THR( 10 A -54 )
VAL( 10 A -53 )
THR( 10 A -52 )
ILE( 10 A -51 )
TRP( 10 A -50 )
ALA( 10 A -49 )
ALA( 10 A -48 )
ASN( 10 A -47 )
ALA( 10 A -46 )
GLY( 10 A -45 )
VAL( 10 A -44 )
THR( 10 A -43 )
ALA( 10 A -42 )
SER( 10 A -41 )
PRO( 10 A -40 )
PRO( 10 A -39 )
THR( 10 A -38 )
ASP( 10 A -37 )
LEU( 10 A -36 )
ILE( 10 A -35 )
TRP( 10 A -34 )
LYS( 10 A -33 )
ASN( 10 A -32 )
GLN( 10 A -31 )
ASN( 10 A -30 )
SER( 10 A -29 )
TRP( 10 A -28 )
GLY( 10 A -27 )
THR( 10 A -26 )
GLY( 10 A -25 )
GLU( 10 A -24 )
ASP( 10 A -23 )
VAL( 10 A -22 )
LYS( 10 A -21 )
VAL( 10 A -20 )
ILE( 10 A -19 )
LEU( 10 A -18 )
LYS( 10 A -17 )
ASN( 10 A -16 )
SER( 10 A -15 )
GLN( 10 A -14 )
GLY( 10 A -13 )
GLU( 10 A -12 )
GLU( 10 A -11 )
VAL( 10 A -10 )
ALA( 10 A -9 )
GLN( 10 A -8 )
ARG( 10 A -7 )
SER( 10 A -6 )
THR( 10 A -5 )
VAL( 10 A -4 )
PHE( 10 A -3 )
LYS( 10 A -2 )
THR( 10 A -1 )
THR( 10 A 0 )
MET( 11 A-121 )
GLY( 11 A-120 )
HIS( 11 A-119 )
HIS( 11 A-118 )
HIS( 11 A-117 )
HIS( 11 A-116 )
HIS( 11 A-115 )
HIS( 11 A-114 )
SER( 11 A-113 )
HIS( 11 A-112 )
MET( 11 A-111 )
THR( 11 A-110 )
GLY( 11 A-109 )
ASN( 11 A-108 )
VAL( 11 A-107 )
CYS( 11 A-106 )
ILE( 11 A-105 )
GLU( 11 A-104 )
GLU( 11 A-103 )
ILE( 11 A-102 )
ASP( 11 A-101 )
VAL( 11 A-100 )
ASP( 11 A -99 )
GLY( 11 A -98 )
LYS( 11 A -97 )
PHE( 11 A -96 )
ILE( 11 A -95 )
ARG( 11 A -94 )
LEU( 11 A -93 )
LYS( 11 A -92 )
ASN( 11 A -91 )
THR( 11 A -90 )
SER( 11 A -89 )
GLU( 11 A -88 )
GLN( 11 A -87 )
ASP( 11 A -86 )
GLN( 11 A -85 )
PRO( 11 A -84 )
MET( 11 A -83 )
GLY( 11 A -82 )
GLY( 11 A -81 )
TRP( 11 A -80 )
GLU( 11 A -79 )
MET( 11 A -78 )
ILE( 11 A -77 )
ARG( 11 A -76 )
LYS( 11 A -75 )
ILE( 11 A -74 )
GLY( 11 A -73 )
ASP( 11 A -72 )
THR( 11 A -71 )
SER( 11 A -70 )
VAL( 11 A -69 )
SER( 11 A -68 )
TYR( 11 A -67 )
LYS( 11 A -66 )
TYR( 11 A -65 )
THR( 11 A -64 )
SER( 11 A -63 )
ARG( 11 A -62 )
TYR( 11 A -61 )
VAL( 11 A -60 )
LEU( 11 A -59 )
LYS( 11 A -58 )
ALA( 11 A -57 )
GLY( 11 A -56 )
GLN( 11 A -55 )
THR( 11 A -54 )
VAL( 11 A -53 )
THR( 11 A -52 )
ILE( 11 A -51 )
TRP( 11 A -50 )
ALA( 11 A -49 )
ALA( 11 A -48 )
ASN( 11 A -47 )
ALA( 11 A -46 )
GLY( 11 A -45 )
VAL( 11 A -44 )
THR( 11 A -43 )
ALA( 11 A -42 )
SER( 11 A -41 )
PRO( 11 A -40 )
PRO( 11 A -39 )
THR( 11 A -38 )
ASP( 11 A -37 )
LEU( 11 A -36 )
ILE( 11 A -35 )
TRP( 11 A -34 )
LYS( 11 A -33 )
ASN( 11 A -32 )
GLN( 11 A -31 )
ASN( 11 A -30 )
SER( 11 A -29 )
TRP( 11 A -28 )
GLY( 11 A -27 )
THR( 11 A -26 )
GLY( 11 A -25 )
GLU( 11 A -24 )
ASP( 11 A -23 )
VAL( 11 A -22 )
LYS( 11 A -21 )
VAL( 11 A -20 )
ILE( 11 A -19 )
LEU( 11 A -18 )
LYS( 11 A -17 )
ASN( 11 A -16 )
SER( 11 A -15 )
GLN( 11 A -14 )
GLY( 11 A -13 )
GLU( 11 A -12 )
GLU( 11 A -11 )
VAL( 11 A -10 )
ALA( 11 A -9 )
GLN( 11 A -8 )
ARG( 11 A -7 )
SER( 11 A -6 )
THR( 11 A -5 )
VAL( 11 A -4 )
PHE( 11 A -3 )
LYS( 11 A -2 )
THR( 11 A -1 )
THR( 11 A 0 )
MET( 12 A-121 )
GLY( 12 A-120 )
HIS( 12 A-119 )
HIS( 12 A-118 )
HIS( 12 A-117 )
HIS( 12 A-116 )
HIS( 12 A-115 )
HIS( 12 A-114 )
SER( 12 A-113 )
HIS( 12 A-112 )
MET( 12 A-111 )
THR( 12 A-110 )
GLY( 12 A-109 )
ASN( 12 A-108 )
VAL( 12 A-107 )
CYS( 12 A-106 )
ILE( 12 A-105 )
GLU( 12 A-104 )
GLU( 12 A-103 )
ILE( 12 A-102 )
ASP( 12 A-101 )
VAL( 12 A-100 )
ASP( 12 A -99 )
GLY( 12 A -98 )
LYS( 12 A -97 )
PHE( 12 A -96 )
ILE( 12 A -95 )
ARG( 12 A -94 )
LEU( 12 A -93 )
LYS( 12 A -92 )
ASN( 12 A -91 )
THR( 12 A -90 )
SER( 12 A -89 )
GLU( 12 A -88 )
GLN( 12 A -87 )
ASP( 12 A -86 )
GLN( 12 A -85 )
PRO( 12 A -84 )
MET( 12 A -83 )
GLY( 12 A -82 )
GLY( 12 A -81 )
TRP( 12 A -80 )
GLU( 12 A -79 )
MET( 12 A -78 )
ILE( 12 A -77 )
ARG( 12 A -76 )
LYS( 12 A -75 )
ILE( 12 A -74 )
GLY( 12 A -73 )
ASP( 12 A -72 )
THR( 12 A -71 )
SER( 12 A -70 )
VAL( 12 A -69 )
SER( 12 A -68 )
TYR( 12 A -67 )
LYS( 12 A -66 )
TYR( 12 A -65 )
THR( 12 A -64 )
SER( 12 A -63 )
ARG( 12 A -62 )
TYR( 12 A -61 )
VAL( 12 A -60 )
LEU( 12 A -59 )
LYS( 12 A -58 )
ALA( 12 A -57 )
GLY( 12 A -56 )
GLN( 12 A -55 )
THR( 12 A -54 )
VAL( 12 A -53 )
THR( 12 A -52 )
ILE( 12 A -51 )
TRP( 12 A -50 )
ALA( 12 A -49 )
ALA( 12 A -48 )
ASN( 12 A -47 )
ALA( 12 A -46 )
GLY( 12 A -45 )
VAL( 12 A -44 )
THR( 12 A -43 )
ALA( 12 A -42 )
SER( 12 A -41 )
PRO( 12 A -40 )
PRO( 12 A -39 )
THR( 12 A -38 )
ASP( 12 A -37 )
LEU( 12 A -36 )
ILE( 12 A -35 )
TRP( 12 A -34 )
LYS( 12 A -33 )
ASN( 12 A -32 )
GLN( 12 A -31 )
ASN( 12 A -30 )
SER( 12 A -29 )
TRP( 12 A -28 )
GLY( 12 A -27 )
THR( 12 A -26 )
GLY( 12 A -25 )
GLU( 12 A -24 )
ASP( 12 A -23 )
VAL( 12 A -22 )
LYS( 12 A -21 )
VAL( 12 A -20 )
ILE( 12 A -19 )
LEU( 12 A -18 )
LYS( 12 A -17 )
ASN( 12 A -16 )
SER( 12 A -15 )
GLN( 12 A -14 )
GLY( 12 A -13 )
GLU( 12 A -12 )
GLU( 12 A -11 )
VAL( 12 A -10 )
ALA( 12 A -9 )
GLN( 12 A -8 )
ARG( 12 A -7 )
SER( 12 A -6 )
THR( 12 A -5 )
VAL( 12 A -4 )
PHE( 12 A -3 )
LYS( 12 A -2 )
THR( 12 A -1 )
THR( 12 A 0 )
MET( 13 A-121 )
GLY( 13 A-120 )
HIS( 13 A-119 )
HIS( 13 A-118 )
HIS( 13 A-117 )
HIS( 13 A-116 )
HIS( 13 A-115 )
HIS( 13 A-114 )
SER( 13 A-113 )
HIS( 13 A-112 )
MET( 13 A-111 )
THR( 13 A-110 )
GLY( 13 A-109 )
ASN( 13 A-108 )
VAL( 13 A-107 )
CYS( 13 A-106 )
ILE( 13 A-105 )
GLU( 13 A-104 )
GLU( 13 A-103 )
ILE( 13 A-102 )
ASP( 13 A-101 )
VAL( 13 A-100 )
ASP( 13 A -99 )
GLY( 13 A -98 )
LYS( 13 A -97 )
PHE( 13 A -96 )
ILE( 13 A -95 )
ARG( 13 A -94 )
LEU( 13 A -93 )
LYS( 13 A -92 )
ASN( 13 A -91 )
THR( 13 A -90 )
SER( 13 A -89 )
GLU( 13 A -88 )
GLN( 13 A -87 )
ASP( 13 A -86 )
GLN( 13 A -85 )
PRO( 13 A -84 )
MET( 13 A -83 )
GLY( 13 A -82 )
GLY( 13 A -81 )
TRP( 13 A -80 )
GLU( 13 A -79 )
MET( 13 A -78 )
ILE( 13 A -77 )
ARG( 13 A -76 )
LYS( 13 A -75 )
ILE( 13 A -74 )
GLY( 13 A -73 )
ASP( 13 A -72 )
THR( 13 A -71 )
SER( 13 A -70 )
VAL( 13 A -69 )
SER( 13 A -68 )
TYR( 13 A -67 )
LYS( 13 A -66 )
TYR( 13 A -65 )
THR( 13 A -64 )
SER( 13 A -63 )
ARG( 13 A -62 )
TYR( 13 A -61 )
VAL( 13 A -60 )
LEU( 13 A -59 )
LYS( 13 A -58 )
ALA( 13 A -57 )
GLY( 13 A -56 )
GLN( 13 A -55 )
THR( 13 A -54 )
VAL( 13 A -53 )
THR( 13 A -52 )
ILE( 13 A -51 )
TRP( 13 A -50 )
ALA( 13 A -49 )
ALA( 13 A -48 )
ASN( 13 A -47 )
ALA( 13 A -46 )
GLY( 13 A -45 )
VAL( 13 A -44 )
THR( 13 A -43 )
ALA( 13 A -42 )
SER( 13 A -41 )
PRO( 13 A -40 )
PRO( 13 A -39 )
THR( 13 A -38 )
ASP( 13 A -37 )
LEU( 13 A -36 )
ILE( 13 A -35 )
TRP( 13 A -34 )
LYS( 13 A -33 )
ASN( 13 A -32 )
GLN( 13 A -31 )
ASN( 13 A -30 )
SER( 13 A -29 )
TRP( 13 A -28 )
GLY( 13 A -27 )
THR( 13 A -26 )
GLY( 13 A -25 )
GLU( 13 A -24 )
ASP( 13 A -23 )
VAL( 13 A -22 )
LYS( 13 A -21 )
VAL( 13 A -20 )
ILE( 13 A -19 )
LEU( 13 A -18 )
LYS( 13 A -17 )
ASN( 13 A -16 )
SER( 13 A -15 )
GLN( 13 A -14 )
GLY( 13 A -13 )
GLU( 13 A -12 )
GLU( 13 A -11 )
VAL( 13 A -10 )
ALA( 13 A -9 )
GLN( 13 A -8 )
ARG( 13 A -7 )
SER( 13 A -6 )
THR( 13 A -5 )
VAL( 13 A -4 )
PHE( 13 A -3 )
LYS( 13 A -2 )
THR( 13 A -1 )
THR( 13 A 0 )
MET( 14 A-121 )
GLY( 14 A-120 )
HIS( 14 A-119 )
HIS( 14 A-118 )
HIS( 14 A-117 )
HIS( 14 A-116 )
HIS( 14 A-115 )
HIS( 14 A-114 )
SER( 14 A-113 )
HIS( 14 A-112 )
MET( 14 A-111 )
THR( 14 A-110 )
GLY( 14 A-109 )
ASN( 14 A-108 )
VAL( 14 A-107 )
CYS( 14 A-106 )
ILE( 14 A-105 )
GLU( 14 A-104 )
GLU( 14 A-103 )
ILE( 14 A-102 )
ASP( 14 A-101 )
VAL( 14 A-100 )
ASP( 14 A -99 )
GLY( 14 A -98 )
LYS( 14 A -97 )
PHE( 14 A -96 )
ILE( 14 A -95 )
ARG( 14 A -94 )
LEU( 14 A -93 )
LYS( 14 A -92 )
ASN( 14 A -91 )
THR( 14 A -90 )
SER( 14 A -89 )
GLU( 14 A -88 )
GLN( 14 A -87 )
ASP( 14 A -86 )
GLN( 14 A -85 )
PRO( 14 A -84 )
MET( 14 A -83 )
GLY( 14 A -82 )
GLY( 14 A -81 )
TRP( 14 A -80 )
GLU( 14 A -79 )
MET( 14 A -78 )
ILE( 14 A -77 )
ARG( 14 A -76 )
LYS( 14 A -75 )
ILE( 14 A -74 )
GLY( 14 A -73 )
ASP( 14 A -72 )
THR( 14 A -71 )
SER( 14 A -70 )
VAL( 14 A -69 )
SER( 14 A -68 )
TYR( 14 A -67 )
LYS( 14 A -66 )
TYR( 14 A -65 )
THR( 14 A -64 )
SER( 14 A -63 )
ARG( 14 A -62 )
TYR( 14 A -61 )
VAL( 14 A -60 )
LEU( 14 A -59 )
LYS( 14 A -58 )
ALA( 14 A -57 )
GLY( 14 A -56 )
GLN( 14 A -55 )
THR( 14 A -54 )
VAL( 14 A -53 )
THR( 14 A -52 )
ILE( 14 A -51 )
TRP( 14 A -50 )
ALA( 14 A -49 )
ALA( 14 A -48 )
ASN( 14 A -47 )
ALA( 14 A -46 )
GLY( 14 A -45 )
VAL( 14 A -44 )
THR( 14 A -43 )
ALA( 14 A -42 )
SER( 14 A -41 )
PRO( 14 A -40 )
PRO( 14 A -39 )
THR( 14 A -38 )
ASP( 14 A -37 )
LEU( 14 A -36 )
ILE( 14 A -35 )
TRP( 14 A -34 )
LYS( 14 A -33 )
ASN( 14 A -32 )
GLN( 14 A -31 )
ASN( 14 A -30 )
SER( 14 A -29 )
TRP( 14 A -28 )
GLY( 14 A -27 )
THR( 14 A -26 )
GLY( 14 A -25 )
GLU( 14 A -24 )
ASP( 14 A -23 )
VAL( 14 A -22 )
LYS( 14 A -21 )
VAL( 14 A -20 )
ILE( 14 A -19 )
LEU( 14 A -18 )
LYS( 14 A -17 )
ASN( 14 A -16 )
SER( 14 A -15 )
GLN( 14 A -14 )
GLY( 14 A -13 )
GLU( 14 A -12 )
GLU( 14 A -11 )
VAL( 14 A -10 )
ALA( 14 A -9 )
GLN( 14 A -8 )
ARG( 14 A -7 )
SER( 14 A -6 )
THR( 14 A -5 )
VAL( 14 A -4 )
PHE( 14 A -3 )
LYS( 14 A -2 )
THR( 14 A -1 )
THR( 14 A 0 )
MET( 15 A-121 )
GLY( 15 A-120 )
HIS( 15 A-119 )
HIS( 15 A-118 )
HIS( 15 A-117 )
HIS( 15 A-116 )
HIS( 15 A-115 )
HIS( 15 A-114 )
SER( 15 A-113 )
HIS( 15 A-112 )
MET( 15 A-111 )
THR( 15 A-110 )
GLY( 15 A-109 )
ASN( 15 A-108 )
VAL( 15 A-107 )
CYS( 15 A-106 )
ILE( 15 A-105 )
GLU( 15 A-104 )
GLU( 15 A-103 )
ILE( 15 A-102 )
ASP( 15 A-101 )
VAL( 15 A-100 )
ASP( 15 A -99 )
GLY( 15 A -98 )
LYS( 15 A -97 )
PHE( 15 A -96 )
ILE( 15 A -95 )
ARG( 15 A -94 )
LEU( 15 A -93 )
LYS( 15 A -92 )
ASN( 15 A -91 )
THR( 15 A -90 )
SER( 15 A -89 )
GLU( 15 A -88 )
GLN( 15 A -87 )
ASP( 15 A -86 )
GLN( 15 A -85 )
PRO( 15 A -84 )
MET( 15 A -83 )
GLY( 15 A -82 )
GLY( 15 A -81 )
TRP( 15 A -80 )
GLU( 15 A -79 )
MET( 15 A -78 )
ILE( 15 A -77 )
ARG( 15 A -76 )
LYS( 15 A -75 )
ILE( 15 A -74 )
GLY( 15 A -73 )
ASP( 15 A -72 )
THR( 15 A -71 )
SER( 15 A -70 )
VAL( 15 A -69 )
SER( 15 A -68 )
TYR( 15 A -67 )
LYS( 15 A -66 )
TYR( 15 A -65 )
THR( 15 A -64 )
SER( 15 A -63 )
ARG( 15 A -62 )
TYR( 15 A -61 )
VAL( 15 A -60 )
LEU( 15 A -59 )
LYS( 15 A -58 )
ALA( 15 A -57 )
GLY( 15 A -56 )
GLN( 15 A -55 )
THR( 15 A -54 )
VAL( 15 A -53 )
THR( 15 A -52 )
ILE( 15 A -51 )
TRP( 15 A -50 )
ALA( 15 A -49 )
ALA( 15 A -48 )
ASN( 15 A -47 )
ALA( 15 A -46 )
GLY( 15 A -45 )
VAL( 15 A -44 )
THR( 15 A -43 )
ALA( 15 A -42 )
SER( 15 A -41 )
PRO( 15 A -40 )
PRO( 15 A -39 )
THR( 15 A -38 )
ASP( 15 A -37 )
LEU( 15 A -36 )
ILE( 15 A -35 )
TRP( 15 A -34 )
LYS( 15 A -33 )
ASN( 15 A -32 )
GLN( 15 A -31 )
ASN( 15 A -30 )
SER( 15 A -29 )
TRP( 15 A -28 )
GLY( 15 A -27 )
THR( 15 A -26 )
GLY( 15 A -25 )
GLU( 15 A -24 )
ASP( 15 A -23 )
VAL( 15 A -22 )
LYS( 15 A -21 )
VAL( 15 A -20 )
ILE( 15 A -19 )
LEU( 15 A -18 )
LYS( 15 A -17 )
ASN( 15 A -16 )
SER( 15 A -15 )
GLN( 15 A -14 )
GLY( 15 A -13 )
GLU( 15 A -12 )
GLU( 15 A -11 )
VAL( 15 A -10 )
ALA( 15 A -9 )
GLN( 15 A -8 )
ARG( 15 A -7 )
SER( 15 A -6 )
THR( 15 A -5 )
VAL( 15 A -4 )
PHE( 15 A -3 )
LYS( 15 A -2 )
THR( 15 A -1 )
THR( 15 A 0 )
MET( 16 A-121 )
GLY( 16 A-120 )
HIS( 16 A-119 )
HIS( 16 A-118 )
HIS( 16 A-117 )
HIS( 16 A-116 )
HIS( 16 A-115 )
HIS( 16 A-114 )
SER( 16 A-113 )
HIS( 16 A-112 )
MET( 16 A-111 )
THR( 16 A-110 )
GLY( 16 A-109 )
ASN( 16 A-108 )
VAL( 16 A-107 )
CYS( 16 A-106 )
ILE( 16 A-105 )
GLU( 16 A-104 )
GLU( 16 A-103 )
ILE( 16 A-102 )
ASP( 16 A-101 )
VAL( 16 A-100 )
ASP( 16 A -99 )
GLY( 16 A -98 )
LYS( 16 A -97 )
PHE( 16 A -96 )
ILE( 16 A -95 )
ARG( 16 A -94 )
LEU( 16 A -93 )
LYS( 16 A -92 )
ASN( 16 A -91 )
THR( 16 A -90 )
SER( 16 A -89 )
GLU( 16 A -88 )
GLN( 16 A -87 )
ASP( 16 A -86 )
GLN( 16 A -85 )
PRO( 16 A -84 )
MET( 16 A -83 )
GLY( 16 A -82 )
GLY( 16 A -81 )
TRP( 16 A -80 )
GLU( 16 A -79 )
MET( 16 A -78 )
ILE( 16 A -77 )
ARG( 16 A -76 )
LYS( 16 A -75 )
ILE( 16 A -74 )
GLY( 16 A -73 )
ASP( 16 A -72 )
THR( 16 A -71 )
SER( 16 A -70 )
VAL( 16 A -69 )
SER( 16 A -68 )
TYR( 16 A -67 )
LYS( 16 A -66 )
TYR( 16 A -65 )
THR( 16 A -64 )
SER( 16 A -63 )
ARG( 16 A -62 )
TYR( 16 A -61 )
VAL( 16 A -60 )
LEU( 16 A -59 )
LYS( 16 A -58 )
ALA( 16 A -57 )
GLY( 16 A -56 )
GLN( 16 A -55 )
THR( 16 A -54 )
VAL( 16 A -53 )
THR( 16 A -52 )
ILE( 16 A -51 )
TRP( 16 A -50 )
ALA( 16 A -49 )
ALA( 16 A -48 )
ASN( 16 A -47 )
ALA( 16 A -46 )
GLY( 16 A -45 )
VAL( 16 A -44 )
THR( 16 A -43 )
ALA( 16 A -42 )
SER( 16 A -41 )
PRO( 16 A -40 )
PRO( 16 A -39 )
THR( 16 A -38 )
ASP( 16 A -37 )
LEU( 16 A -36 )
ILE( 16 A -35 )
TRP( 16 A -34 )
LYS( 16 A -33 )
ASN( 16 A -32 )
GLN( 16 A -31 )
ASN( 16 A -30 )
SER( 16 A -29 )
TRP( 16 A -28 )
GLY( 16 A -27 )
THR( 16 A -26 )
GLY( 16 A -25 )
GLU( 16 A -24 )
ASP( 16 A -23 )
VAL( 16 A -22 )
LYS( 16 A -21 )
VAL( 16 A -20 )
ILE( 16 A -19 )
LEU( 16 A -18 )
LYS( 16 A -17 )
ASN( 16 A -16 )
SER( 16 A -15 )
GLN( 16 A -14 )
GLY( 16 A -13 )
GLU( 16 A -12 )
GLU( 16 A -11 )
VAL( 16 A -10 )
ALA( 16 A -9 )
GLN( 16 A -8 )
ARG( 16 A -7 )
SER( 16 A -6 )
THR( 16 A -5 )
VAL( 16 A -4 )
PHE( 16 A -3 )
LYS( 16 A -2 )
THR( 16 A -1 )
THR( 16 A 0 )
MET( 17 A-121 )
GLY( 17 A-120 )
HIS( 17 A-119 )
HIS( 17 A-118 )
HIS( 17 A-117 )
HIS( 17 A-116 )
HIS( 17 A-115 )
HIS( 17 A-114 )
SER( 17 A-113 )
HIS( 17 A-112 )
MET( 17 A-111 )
THR( 17 A-110 )
GLY( 17 A-109 )
ASN( 17 A-108 )
VAL( 17 A-107 )
CYS( 17 A-106 )
ILE( 17 A-105 )
GLU( 17 A-104 )
GLU( 17 A-103 )
ILE( 17 A-102 )
ASP( 17 A-101 )
VAL( 17 A-100 )
ASP( 17 A -99 )
GLY( 17 A -98 )
LYS( 17 A -97 )
PHE( 17 A -96 )
ILE( 17 A -95 )
ARG( 17 A -94 )
LEU( 17 A -93 )
LYS( 17 A -92 )
ASN( 17 A -91 )
THR( 17 A -90 )
SER( 17 A -89 )
GLU( 17 A -88 )
GLN( 17 A -87 )
ASP( 17 A -86 )
GLN( 17 A -85 )
PRO( 17 A -84 )
MET( 17 A -83 )
GLY( 17 A -82 )
GLY( 17 A -81 )
TRP( 17 A -80 )
GLU( 17 A -79 )
MET( 17 A -78 )
ILE( 17 A -77 )
ARG( 17 A -76 )
LYS( 17 A -75 )
ILE( 17 A -74 )
GLY( 17 A -73 )
ASP( 17 A -72 )
THR( 17 A -71 )
SER( 17 A -70 )
VAL( 17 A -69 )
SER( 17 A -68 )
TYR( 17 A -67 )
LYS( 17 A -66 )
TYR( 17 A -65 )
THR( 17 A -64 )
SER( 17 A -63 )
ARG( 17 A -62 )
TYR( 17 A -61 )
VAL( 17 A -60 )
LEU( 17 A -59 )
LYS( 17 A -58 )
ALA( 17 A -57 )
GLY( 17 A -56 )
GLN( 17 A -55 )
THR( 17 A -54 )
VAL( 17 A -53 )
THR( 17 A -52 )
ILE( 17 A -51 )
TRP( 17 A -50 )
ALA( 17 A -49 )
ALA( 17 A -48 )
ASN( 17 A -47 )
ALA( 17 A -46 )
GLY( 17 A -45 )
VAL( 17 A -44 )
THR( 17 A -43 )
ALA( 17 A -42 )
SER( 17 A -41 )
PRO( 17 A -40 )
PRO( 17 A -39 )
THR( 17 A -38 )
ASP( 17 A -37 )
LEU( 17 A -36 )
ILE( 17 A -35 )
TRP( 17 A -34 )
LYS( 17 A -33 )
ASN( 17 A -32 )
GLN( 17 A -31 )
ASN( 17 A -30 )
SER( 17 A -29 )
TRP( 17 A -28 )
GLY( 17 A -27 )
THR( 17 A -26 )
GLY( 17 A -25 )
GLU( 17 A -24 )
ASP( 17 A -23 )
VAL( 17 A -22 )
LYS( 17 A -21 )
VAL( 17 A -20 )
ILE( 17 A -19 )
LEU( 17 A -18 )
LYS( 17 A -17 )
ASN( 17 A -16 )
SER( 17 A -15 )
GLN( 17 A -14 )
GLY( 17 A -13 )
GLU( 17 A -12 )
GLU( 17 A -11 )
VAL( 17 A -10 )
ALA( 17 A -9 )
GLN( 17 A -8 )
ARG( 17 A -7 )
SER( 17 A -6 )
THR( 17 A -5 )
VAL( 17 A -4 )
PHE( 17 A -3 )
LYS( 17 A -2 )
THR( 17 A -1 )
THR( 17 A 0 )
MET( 18 A-121 )
GLY( 18 A-120 )
HIS( 18 A-119 )
HIS( 18 A-118 )
HIS( 18 A-117 )
HIS( 18 A-116 )
HIS( 18 A-115 )
HIS( 18 A-114 )
SER( 18 A-113 )
HIS( 18 A-112 )
MET( 18 A-111 )
THR( 18 A-110 )
GLY( 18 A-109 )
ASN( 18 A-108 )
VAL( 18 A-107 )
CYS( 18 A-106 )
ILE( 18 A-105 )
GLU( 18 A-104 )
GLU( 18 A-103 )
ILE( 18 A-102 )
ASP( 18 A-101 )
VAL( 18 A-100 )
ASP( 18 A -99 )
GLY( 18 A -98 )
LYS( 18 A -97 )
PHE( 18 A -96 )
ILE( 18 A -95 )
ARG( 18 A -94 )
LEU( 18 A -93 )
LYS( 18 A -92 )
ASN( 18 A -91 )
THR( 18 A -90 )
SER( 18 A -89 )
GLU( 18 A -88 )
GLN( 18 A -87 )
ASP( 18 A -86 )
GLN( 18 A -85 )
PRO( 18 A -84 )
MET( 18 A -83 )
GLY( 18 A -82 )
GLY( 18 A -81 )
TRP( 18 A -80 )
GLU( 18 A -79 )
MET( 18 A -78 )
ILE( 18 A -77 )
ARG( 18 A -76 )
LYS( 18 A -75 )
ILE( 18 A -74 )
GLY( 18 A -73 )
ASP( 18 A -72 )
THR( 18 A -71 )
SER( 18 A -70 )
VAL( 18 A -69 )
SER( 18 A -68 )
TYR( 18 A -67 )
LYS( 18 A -66 )
TYR( 18 A -65 )
THR( 18 A -64 )
SER( 18 A -63 )
ARG( 18 A -62 )
TYR( 18 A -61 )
VAL( 18 A -60 )
LEU( 18 A -59 )
LYS( 18 A -58 )
ALA( 18 A -57 )
GLY( 18 A -56 )
GLN( 18 A -55 )
THR( 18 A -54 )
VAL( 18 A -53 )
THR( 18 A -52 )
ILE( 18 A -51 )
TRP( 18 A -50 )
ALA( 18 A -49 )
ALA( 18 A -48 )
ASN( 18 A -47 )
ALA( 18 A -46 )
GLY( 18 A -45 )
VAL( 18 A -44 )
THR( 18 A -43 )
ALA( 18 A -42 )
SER( 18 A -41 )
PRO( 18 A -40 )
PRO( 18 A -39 )
THR( 18 A -38 )
ASP( 18 A -37 )
LEU( 18 A -36 )
ILE( 18 A -35 )
TRP( 18 A -34 )
LYS( 18 A -33 )
ASN( 18 A -32 )
GLN( 18 A -31 )
ASN( 18 A -30 )
SER( 18 A -29 )
TRP( 18 A -28 )
GLY( 18 A -27 )
THR( 18 A -26 )
GLY( 18 A -25 )
GLU( 18 A -24 )
ASP( 18 A -23 )
VAL( 18 A -22 )
LYS( 18 A -21 )
VAL( 18 A -20 )
ILE( 18 A -19 )
LEU( 18 A -18 )
LYS( 18 A -17 )
ASN( 18 A -16 )
SER( 18 A -15 )
GLN( 18 A -14 )
GLY( 18 A -13 )
GLU( 18 A -12 )
GLU( 18 A -11 )
VAL( 18 A -10 )
ALA( 18 A -9 )
GLN( 18 A -8 )
ARG( 18 A -7 )
SER( 18 A -6 )
THR( 18 A -5 )
VAL( 18 A -4 )
PHE( 18 A -3 )
LYS( 18 A -2 )
THR( 18 A -1 )
THR( 18 A 0 )
MET( 19 A-121 )
GLY( 19 A-120 )
HIS( 19 A-119 )
HIS( 19 A-118 )
HIS( 19 A-117 )
HIS( 19 A-116 )
HIS( 19 A-115 )
HIS( 19 A-114 )
SER( 19 A-113 )
HIS( 19 A-112 )
MET( 19 A-111 )
THR( 19 A-110 )
GLY( 19 A-109 )
ASN( 19 A-108 )
VAL( 19 A-107 )
CYS( 19 A-106 )
ILE( 19 A-105 )
GLU( 19 A-104 )
GLU( 19 A-103 )
ILE( 19 A-102 )
ASP( 19 A-101 )
VAL( 19 A-100 )
ASP( 19 A -99 )
GLY( 19 A -98 )
LYS( 19 A -97 )
PHE( 19 A -96 )
ILE( 19 A -95 )
ARG( 19 A -94 )
LEU( 19 A -93 )
LYS( 19 A -92 )
ASN( 19 A -91 )
THR( 19 A -90 )
SER( 19 A -89 )
GLU( 19 A -88 )
GLN( 19 A -87 )
ASP( 19 A -86 )
GLN( 19 A -85 )
PRO( 19 A -84 )
MET( 19 A -83 )
GLY( 19 A -82 )
GLY( 19 A -81 )
TRP( 19 A -80 )
GLU( 19 A -79 )
MET( 19 A -78 )
ILE( 19 A -77 )
ARG( 19 A -76 )
LYS( 19 A -75 )
ILE( 19 A -74 )
GLY( 19 A -73 )
ASP( 19 A -72 )
THR( 19 A -71 )
SER( 19 A -70 )
VAL( 19 A -69 )
SER( 19 A -68 )
TYR( 19 A -67 )
LYS( 19 A -66 )
TYR( 19 A -65 )
THR( 19 A -64 )
SER( 19 A -63 )
ARG( 19 A -62 )
TYR( 19 A -61 )
VAL( 19 A -60 )
LEU( 19 A -59 )
LYS( 19 A -58 )
ALA( 19 A -57 )
GLY( 19 A -56 )
GLN( 19 A -55 )
THR( 19 A -54 )
VAL( 19 A -53 )
THR( 19 A -52 )
ILE( 19 A -51 )
TRP( 19 A -50 )
ALA( 19 A -49 )
ALA( 19 A -48 )
ASN( 19 A -47 )
ALA( 19 A -46 )
GLY( 19 A -45 )
VAL( 19 A -44 )
THR( 19 A -43 )
ALA( 19 A -42 )
SER( 19 A -41 )
PRO( 19 A -40 )
PRO( 19 A -39 )
THR( 19 A -38 )
ASP( 19 A -37 )
LEU( 19 A -36 )
ILE( 19 A -35 )
TRP( 19 A -34 )
LYS( 19 A -33 )
ASN( 19 A -32 )
GLN( 19 A -31 )
ASN( 19 A -30 )
SER( 19 A -29 )
TRP( 19 A -28 )
GLY( 19 A -27 )
THR( 19 A -26 )
GLY( 19 A -25 )
GLU( 19 A -24 )
ASP( 19 A -23 )
VAL( 19 A -22 )
LYS( 19 A -21 )
VAL( 19 A -20 )
ILE( 19 A -19 )
LEU( 19 A -18 )
LYS( 19 A -17 )
ASN( 19 A -16 )
SER( 19 A -15 )
GLN( 19 A -14 )
GLY( 19 A -13 )
GLU( 19 A -12 )
GLU( 19 A -11 )
VAL( 19 A -10 )
ALA( 19 A -9 )
GLN( 19 A -8 )
ARG( 19 A -7 )
SER( 19 A -6 )
THR( 19 A -5 )
VAL( 19 A -4 )
PHE( 19 A -3 )
LYS( 19 A -2 )
THR( 19 A -1 )
THR( 19 A 0 )
MET( 20 A-121 )
GLY( 20 A-120 )
HIS( 20 A-119 )
HIS( 20 A-118 )
HIS( 20 A-117 )
HIS( 20 A-116 )
HIS( 20 A-115 )
HIS( 20 A-114 )
SER( 20 A-113 )
HIS( 20 A-112 )
MET( 20 A-111 )
THR( 20 A-110 )
GLY( 20 A-109 )
ASN( 20 A-108 )
VAL( 20 A-107 )
CYS( 20 A-106 )
ILE( 20 A-105 )
GLU( 20 A-104 )
GLU( 20 A-103 )
ILE( 20 A-102 )
ASP( 20 A-101 )
VAL( 20 A-100 )
ASP( 20 A -99 )
GLY( 20 A -98 )
LYS( 20 A -97 )
PHE( 20 A -96 )
ILE( 20 A -95 )
ARG( 20 A -94 )
LEU( 20 A -93 )
LYS( 20 A -92 )
ASN( 20 A -91 )
THR( 20 A -90 )
SER( 20 A -89 )
GLU( 20 A -88 )
GLN( 20 A -87 )
ASP( 20 A -86 )
GLN( 20 A -85 )
PRO( 20 A -84 )
MET( 20 A -83 )
GLY( 20 A -82 )
GLY( 20 A -81 )
TRP( 20 A -80 )
GLU( 20 A -79 )
MET( 20 A -78 )
ILE( 20 A -77 )
ARG( 20 A -76 )
LYS( 20 A -75 )
ILE( 20 A -74 )
GLY( 20 A -73 )
ASP( 20 A -72 )
THR( 20 A -71 )
SER( 20 A -70 )
VAL( 20 A -69 )
SER( 20 A -68 )
TYR( 20 A -67 )
LYS( 20 A -66 )
TYR( 20 A -65 )
THR( 20 A -64 )
SER( 20 A -63 )
ARG( 20 A -62 )
TYR( 20 A -61 )
VAL( 20 A -60 )
LEU( 20 A -59 )
LYS( 20 A -58 )
ALA( 20 A -57 )
GLY( 20 A -56 )
GLN( 20 A -55 )
THR( 20 A -54 )
VAL( 20 A -53 )
THR( 20 A -52 )
ILE( 20 A -51 )
TRP( 20 A -50 )
ALA( 20 A -49 )
ALA( 20 A -48 )
ASN( 20 A -47 )
ALA( 20 A -46 )
GLY( 20 A -45 )
VAL( 20 A -44 )
THR( 20 A -43 )
ALA( 20 A -42 )
SER( 20 A -41 )
PRO( 20 A -40 )
PRO( 20 A -39 )
THR( 20 A -38 )
ASP( 20 A -37 )
LEU( 20 A -36 )
ILE( 20 A -35 )
TRP( 20 A -34 )
LYS( 20 A -33 )
ASN( 20 A -32 )
GLN( 20 A -31 )
ASN( 20 A -30 )
SER( 20 A -29 )
TRP( 20 A -28 )
GLY( 20 A -27 )
THR( 20 A -26 )
GLY( 20 A -25 )
GLU( 20 A -24 )
ASP( 20 A -23 )
VAL( 20 A -22 )
LYS( 20 A -21 )
VAL( 20 A -20 )
ILE( 20 A -19 )
LEU( 20 A -18 )
LYS( 20 A -17 )
ASN( 20 A -16 )
SER( 20 A -15 )
GLN( 20 A -14 )
GLY( 20 A -13 )
GLU( 20 A -12 )
GLU( 20 A -11 )
VAL( 20 A -10 )
ALA( 20 A -9 )
GLN( 20 A -8 )
ARG( 20 A -7 )
SER( 20 A -6 )
THR( 20 A -5 )
VAL( 20 A -4 )
PHE( 20 A -3 )
LYS( 20 A -2 )
THR( 20 A -1 )
THR( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET GLY HIS HIS HIS HIS HIS HIS SER HIS MET THR GLY ASN VAL
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: CYS ILE GLU GLU ILE ASP VAL ASP GLY LYS PHE ILE ARG LEU LYS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: ASN THR SER GLU GLN ASP GLN PRO MET GLY GLY TRP GLU MET ILE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: ARG LYS ILE GLY ASP THR SER VAL SER TYR LYS TYR THR SER ARG
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: TYR VAL LEU LYS ALA GLY GLN THR VAL THR ILE TRP ALA ALA ASN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: ALA GLY VAL THR ALA SER PRO PRO THR ASP LEU ILE TRP LYS ASN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: GLN ASN SER TRP GLY THR GLY GLU ASP VAL LYS VAL ILE LEU LYS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
106 120
SEQRES: ASN SER GLN GLY GLU GLU VAL ALA GLN ARG SER THR VAL PHE LYS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
121 135
SEQRES: THR THR MET GLY HIS HIS HIS HIS HIS HIS SER HIS MET THR GLY
COORDS: ... ... MET GLY HIS HIS HIS HIS HIS HIS SER HIS MET THR GLY
1 13
136 150
SEQRES: ASN VAL CYS ILE GLU GLU ILE ASP VAL ASP GLY LYS PHE ILE ARG
COORDS: ASN VAL CYS ILE GLU GLU ILE ASP VAL ASP GLY LYS PHE ILE ARG
14 28
151 165
SEQRES: LEU LYS ASN THR SER GLU GLN ASP GLN PRO MET GLY GLY TRP GLU
COORDS: LEU LYS ASN THR SER GLU GLN ASP GLN PRO MET GLY GLY TRP GLU
29 43
166 180
SEQRES: MET ILE ARG LYS ILE GLY ASP THR SER VAL SER TYR LYS TYR THR
COORDS: MET ILE ARG LYS ILE GLY ASP THR SER VAL SER TYR LYS TYR THR
44 58
181 195
SEQRES: SER ARG TYR VAL LEU LYS ALA GLY GLN THR VAL THR ILE TRP ALA
COORDS: SER ARG TYR VAL LEU LYS ALA GLY GLN THR VAL THR ILE TRP ALA
59 73
196 210
SEQRES: ALA ASN ALA GLY VAL THR ALA SER PRO PRO THR ASP LEU ILE TRP
COORDS: ALA ASN ALA GLY VAL THR ALA SER PRO PRO THR ASP LEU ILE TRP
74 88
211 225
SEQRES: LYS ASN GLN ASN SER TRP GLY THR GLY GLU ASP VAL LYS VAL ILE
COORDS: LYS ASN GLN ASN SER TRP GLY THR GLY GLU ASP VAL LYS VAL ILE
89 103
226 240
SEQRES: LEU LYS ASN SER GLN GLY GLU GLU VAL ALA GLN ARG SER THR VAL
COORDS: LEU LYS ASN SER GLN GLY GLU GLU VAL ALA GLN ARG SER THR VAL
104 118
241 244
SEQRES: PHE LYS THR THR
COORDS: PHE LYS THR THR
119 122
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 18) HE2
GLU( 1 A 19) HE2
ASP( 1 A 21) HD2
ASP( 1 A 23) HD2
GLU( 1 A 34) HE2
ASP( 1 A 36) HD2
GLU( 1 A 43) HE2
ASP( 1 A 50) HD2
ASP( 1 A 85) HD2
GLU( 1 A 98) HE2
ASP( 1 A 99) HD2
GLU( 1 A 110) HE2
GLU( 1 A 111) HE2
GLU( 2 A 18) HE2
GLU( 2 A 19) HE2
ASP( 2 A 21) HD2
ASP( 2 A 23) HD2
GLU( 2 A 34) HE2
ASP( 2 A 36) HD2
GLU( 2 A 43) HE2
ASP( 2 A 50) HD2
ASP( 2 A 85) HD2
GLU( 2 A 98) HE2
ASP( 2 A 99) HD2
GLU( 2 A 110) HE2
GLU( 2 A 111) HE2
GLU( 3 A 18) HE2
GLU( 3 A 19) HE2
ASP( 3 A 21) HD2
ASP( 3 A 23) HD2
GLU( 3 A 34) HE2
ASP( 3 A 36) HD2
GLU( 3 A 43) HE2
ASP( 3 A 50) HD2
ASP( 3 A 85) HD2
GLU( 3 A 98) HE2
ASP( 3 A 99) HD2
GLU( 3 A 110) HE2
GLU( 3 A 111) HE2
GLU( 4 A 18) HE2
GLU( 4 A 19) HE2
ASP( 4 A 21) HD2
ASP( 4 A 23) HD2
GLU( 4 A 34) HE2
ASP( 4 A 36) HD2
GLU( 4 A 43) HE2
ASP( 4 A 50) HD2
ASP( 4 A 85) HD2
GLU( 4 A 98) HE2
ASP( 4 A 99) HD2
GLU( 4 A 110) HE2
GLU( 4 A 111) HE2
GLU( 5 A 18) HE2
GLU( 5 A 19) HE2
ASP( 5 A 21) HD2
ASP( 5 A 23) HD2
GLU( 5 A 34) HE2
ASP( 5 A 36) HD2
GLU( 5 A 43) HE2
ASP( 5 A 50) HD2
ASP( 5 A 85) HD2
GLU( 5 A 98) HE2
ASP( 5 A 99) HD2
GLU( 5 A 110) HE2
GLU( 5 A 111) HE2
GLU( 6 A 18) HE2
GLU( 6 A 19) HE2
ASP( 6 A 21) HD2
ASP( 6 A 23) HD2
GLU( 6 A 34) HE2
ASP( 6 A 36) HD2
GLU( 6 A 43) HE2
ASP( 6 A 50) HD2
ASP( 6 A 85) HD2
GLU( 6 A 98) HE2
ASP( 6 A 99) HD2
GLU( 6 A 110) HE2
GLU( 6 A 111) HE2
GLU( 7 A 18) HE2
GLU( 7 A 19) HE2
ASP( 7 A 21) HD2
ASP( 7 A 23) HD2
GLU( 7 A 34) HE2
ASP( 7 A 36) HD2
GLU( 7 A 43) HE2
ASP( 7 A 50) HD2
ASP( 7 A 85) HD2
GLU( 7 A 98) HE2
ASP( 7 A 99) HD2
GLU( 7 A 110) HE2
GLU( 7 A 111) HE2
GLU( 8 A 18) HE2
GLU( 8 A 19) HE2
ASP( 8 A 21) HD2
ASP( 8 A 23) HD2
GLU( 8 A 34) HE2
ASP( 8 A 36) HD2
GLU( 8 A 43) HE2
ASP( 8 A 50) HD2
ASP( 8 A 85) HD2
GLU( 8 A 98) HE2
ASP( 8 A 99) HD2
GLU( 8 A 110) HE2
GLU( 8 A 111) HE2
GLU( 9 A 18) HE2
GLU( 9 A 19) HE2
ASP( 9 A 21) HD2
ASP( 9 A 23) HD2
GLU( 9 A 34) HE2
ASP( 9 A 36) HD2
GLU( 9 A 43) HE2
ASP( 9 A 50) HD2
ASP( 9 A 85) HD2
GLU( 9 A 98) HE2
ASP( 9 A 99) HD2
GLU( 9 A 110) HE2
GLU( 9 A 111) HE2
GLU( 10 A 18) HE2
GLU( 10 A 19) HE2
ASP( 10 A 21) HD2
ASP( 10 A 23) HD2
GLU( 10 A 34) HE2
ASP( 10 A 36) HD2
GLU( 10 A 43) HE2
ASP( 10 A 50) HD2
ASP( 10 A 85) HD2
GLU( 10 A 98) HE2
ASP( 10 A 99) HD2
GLU( 10 A 110) HE2
GLU( 10 A 111) HE2
GLU( 11 A 18) HE2
GLU( 11 A 19) HE2
ASP( 11 A 21) HD2
ASP( 11 A 23) HD2
GLU( 11 A 34) HE2
ASP( 11 A 36) HD2
GLU( 11 A 43) HE2
ASP( 11 A 50) HD2
ASP( 11 A 85) HD2
GLU( 11 A 98) HE2
ASP( 11 A 99) HD2
GLU( 11 A 110) HE2
GLU( 11 A 111) HE2
GLU( 12 A 18) HE2
GLU( 12 A 19) HE2
ASP( 12 A 21) HD2
ASP( 12 A 23) HD2
GLU( 12 A 34) HE2
ASP( 12 A 36) HD2
GLU( 12 A 43) HE2
ASP( 12 A 50) HD2
ASP( 12 A 85) HD2
GLU( 12 A 98) HE2
ASP( 12 A 99) HD2
GLU( 12 A 110) HE2
GLU( 12 A 111) HE2
GLU( 13 A 18) HE2
GLU( 13 A 19) HE2
ASP( 13 A 21) HD2
ASP( 13 A 23) HD2
GLU( 13 A 34) HE2
ASP( 13 A 36) HD2
GLU( 13 A 43) HE2
ASP( 13 A 50) HD2
ASP( 13 A 85) HD2
GLU( 13 A 98) HE2
ASP( 13 A 99) HD2
GLU( 13 A 110) HE2
GLU( 13 A 111) HE2
GLU( 14 A 18) HE2
GLU( 14 A 19) HE2
ASP( 14 A 21) HD2
ASP( 14 A 23) HD2
GLU( 14 A 34) HE2
ASP( 14 A 36) HD2
GLU( 14 A 43) HE2
ASP( 14 A 50) HD2
ASP( 14 A 85) HD2
GLU( 14 A 98) HE2
ASP( 14 A 99) HD2
GLU( 14 A 110) HE2
GLU( 14 A 111) HE2
GLU( 15 A 18) HE2
GLU( 15 A 19) HE2
ASP( 15 A 21) HD2
ASP( 15 A 23) HD2
GLU( 15 A 34) HE2
ASP( 15 A 36) HD2
GLU( 15 A 43) HE2
ASP( 15 A 50) HD2
ASP( 15 A 85) HD2
GLU( 15 A 98) HE2
ASP( 15 A 99) HD2
GLU( 15 A 110) HE2
GLU( 15 A 111) HE2
GLU( 16 A 18) HE2
GLU( 16 A 19) HE2
ASP( 16 A 21) HD2
ASP( 16 A 23) HD2
GLU( 16 A 34) HE2
ASP( 16 A 36) HD2
GLU( 16 A 43) HE2
ASP( 16 A 50) HD2
ASP( 16 A 85) HD2
GLU( 16 A 98) HE2
ASP( 16 A 99) HD2
GLU( 16 A 110) HE2
GLU( 16 A 111) HE2
GLU( 17 A 18) HE2
GLU( 17 A 19) HE2
ASP( 17 A 21) HD2
ASP( 17 A 23) HD2
GLU( 17 A 34) HE2
ASP( 17 A 36) HD2
GLU( 17 A 43) HE2
ASP( 17 A 50) HD2
ASP( 17 A 85) HD2
GLU( 17 A 98) HE2
ASP( 17 A 99) HD2
GLU( 17 A 110) HE2
GLU( 17 A 111) HE2
GLU( 18 A 18) HE2
GLU( 18 A 19) HE2
ASP( 18 A 21) HD2
ASP( 18 A 23) HD2
GLU( 18 A 34) HE2
ASP( 18 A 36) HD2
GLU( 18 A 43) HE2
ASP( 18 A 50) HD2
ASP( 18 A 85) HD2
GLU( 18 A 98) HE2
ASP( 18 A 99) HD2
GLU( 18 A 110) HE2
GLU( 18 A 111) HE2
GLU( 19 A 18) HE2
GLU( 19 A 19) HE2
ASP( 19 A 21) HD2
ASP( 19 A 23) HD2
GLU( 19 A 34) HE2
ASP( 19 A 36) HD2
GLU( 19 A 43) HE2
ASP( 19 A 50) HD2
ASP( 19 A 85) HD2
GLU( 19 A 98) HE2
ASP( 19 A 99) HD2
GLU( 19 A 110) HE2
GLU( 19 A 111) HE2
GLU( 20 A 18) HE2
GLU( 20 A 19) HE2
ASP( 20 A 21) HD2
ASP( 20 A 23) HD2
GLU( 20 A 34) HE2
ASP( 20 A 36) HD2
GLU( 20 A 43) HE2
ASP( 20 A 50) HD2
ASP( 20 A 85) HD2
GLU( 20 A 98) HE2
ASP( 20 A 99) HD2
GLU( 20 A 110) HE2
GLU( 20 A 111) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
THR( 1 A 122) O2
THR( 2 A 122) O2
THR( 3 A 122) O2
THR( 4 A 122) O2
THR( 5 A 122) O2
THR( 6 A 122) O2
THR( 7 A 122) O2
THR( 8 A 122) O2
THR( 9 A 122) O2
THR( 10 A 122) O2
THR( 11 A 122) O2
THR( 12 A 122) O2
THR( 13 A 122) O2
THR( 14 A 122) O2
THR( 15 A 122) O2
THR( 16 A 122) O2
THR( 17 A 122) O2
THR( 18 A 122) O2
THR( 19 A 122) O2
THR( 20 A 122) O2
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