Detailed results of RPR324_NMR_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1792
# INTRA-RESIDUE RESTRAINTS (I=J) : 395
# SEQUENTIAL RESTRAINTS (I-J)=1 : 431
# BACKBONE-BACKBONE : 86
# BACKBONE-SIDE CHAIN : 47
# SIDE CHAIN-SIDE CHAIN : 298
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 486
# BACKBONE-BACKBONE : 93
# BACKBONE-SIDE CHAIN : 142
# SIDE CHAIN-SIDE CHAIN : 251
# LONG RANGE RESTRAINTS (I-J)>=5 : 480
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1792
# 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
THR 2 1 3.5 0.0 1.5 2.0 0.0
SER 3 0 2.5 2.0 0.5 0.0 0.0
THR 4 2 14.5 3.5 3.0 8.0 0.0
PHE 5 4 29.0 2.0 7.5 19.5 0.0
ASP 6 0 7.0 2.0 3.0 2.0 0.0
ARG 7 9 14.5 2.5 4.5 7.5 0.0
VAL 8 5 25.5 4.5 8.0 13.0 0.0
ALA 9 1 20.0 6.5 8.5 5.0 0.0
THR 10 3 16.5 7.5 5.0 4.0 0.0
ILE 11 10 21.5 7.0 5.5 9.0 0.0
ILE 12 8 16.5 5.0 4.5 7.0 0.0
ALA 13 1 15.5 5.0 3.5 7.0 0.0
GLU 14 4 7.5 4.0 3.0 0.5 0.0
THR 15 3 13.0 3.0 3.0 7.0 0.0
CYS 16 0 7.5 3.0 4.5 0.0 0.0
ASP 17 0 3.5 2.5 1.0 0.0 0.0
ILE 18 10 18.0 6.0 6.5 5.5 0.0
PRO 19 0 13.0 7.0 5.5 0.5 0.0
ARG 20 10 20.5 4.5 5.0 11.0 0.0
GLU 21 4 11.5 8.0 3.5 0.0 0.0
THR 22 2 13.5 8.0 5.5 0.0 0.0
ILE 23 8 26.0 5.5 7.0 13.5 0.0
THR 24 2 14.5 8.0 3.5 3.0 0.0
PRO 25 0 17.0 7.0 0.5 9.5 0.0
GLU 26 6 10.0 4.5 1.5 4.0 0.0
SER 27 1 11.0 4.0 2.0 5.0 0.0
HIS 28 1 21.5 3.5 9.5 8.5 0.0
ALA 29 0 13.5 4.0 4.0 5.5 0.0
ILE 30 8 14.0 2.5 5.5 6.0 0.0
ASP 31 0 6.0 1.5 4.5 0.0 0.0
ASP 32 0 7.5 5.0 1.5 1.0 0.0
LEU 33 10 21.5 6.5 8.0 7.0 0.0
GLY 34 0 5.5 3.5 1.5 0.5 0.0
ILE 35 9 11.0 2.0 4.0 5.0 0.0
ASP 36 0 8.0 3.5 4.5 0.0 0.0
SER 37 0 9.0 6.5 2.0 0.5 0.0
LEU 38 8 11.0 4.0 7.0 0.0 0.0
ASP 39 0 0.0 0.0 0.0 0.0 0.0
PHE 40 7 23.5 1.5 10.5 11.5 0.0
LEU 41 10 9.5 4.0 3.5 2.0 0.0
ASP 42 0 9.0 5.0 1.5 2.5 0.0
ILE 43 7 25.5 5.5 11.5 8.5 0.0
ALA 44 0 17.0 5.0 5.5 6.5 0.0
PHE 45 4 16.5 5.5 10.5 0.5 0.0
ALA 46 0 12.5 4.5 6.5 1.5 0.0
ILE 47 7 32.0 3.0 15.5 13.5 0.0
ASP 48 1 13.5 4.0 6.5 3.0 0.0
LYS 49 16 13.0 4.5 8.5 0.0 0.0
ALA 50 1 15.5 6.5 6.0 3.0 0.0
PHE 51 6 39.5 6.0 14.5 19.0 0.0
GLY 52 0 7.5 4.5 2.0 1.0 0.0
ILE 53 8 39.5 6.5 10.0 23.0 0.0
LYS 54 10 6.0 5.0 0.0 1.0 0.0
LEU 55 7 21.0 4.0 3.0 14.0 0.0
PRO 56 0 7.0 4.0 2.5 0.5 0.0
LEU 57 7 19.5 4.0 5.0 10.5 0.0
GLU 58 3 7.0 6.0 1.0 0.0 0.0
LYS 59 8 11.0 8.5 2.5 0.0 0.0
TRP 60 2 31.0 8.0 6.0 17.0 0.0
THR 61 2 11.5 5.5 6.0 0.0 0.0
GLN 62 11 11.5 5.5 6.0 0.0 0.0
GLU 63 2 15.0 5.5 3.5 6.0 0.0
VAL 64 5 20.5 6.5 4.5 9.5 0.0
ASN 65 6 12.5 4.5 8.0 0.0 0.0
ASP 66 3 8.0 3.0 5.0 0.0 0.0
GLY 67 0 7.0 4.5 2.5 0.0 0.0
LYS 68 20 11.0 5.5 3.0 2.5 0.0
ALA 69 0 13.0 4.5 3.0 5.5 0.0
THR 70 2 8.5 3.5 3.5 1.5 0.0
THR 71 2 8.5 3.0 1.0 4.5 0.0
GLU 72 3 14.0 4.0 6.0 4.0 0.0
GLN 73 3 11.0 4.0 5.0 2.0 0.0
TYR 74 5 14.5 3.5 0.5 10.5 0.0
PHE 75 2 12.5 4.0 2.0 6.5 0.0
VAL 76 5 23.5 3.5 14.0 6.0 0.0
LEU 77 8 25.0 3.5 2.5 19.0 0.0
LYS 78 9 17.0 4.5 5.0 7.5 0.0
ASN 79 0 15.5 5.5 7.0 3.0 0.0
LEU 80 7 25.0 5.0 9.5 10.5 0.0
ALA 81 1 20.0 4.5 7.0 8.5 0.0
ALA 82 1 11.0 3.0 7.5 0.5 0.0
ARG 83 7 21.5 3.5 5.0 13.0 0.0
ILE 84 8 40.0 5.0 16.5 18.5 0.0
ASP 85 3 12.5 4.5 7.0 1.0 0.0
GLU 86 7 11.0 4.5 6.0 0.5 0.0
LEU 87 10 26.0 6.5 8.0 11.5 0.0
VAL 88 5 30.5 8.5 14.5 7.5 0.0
ALA 89 1 11.0 5.0 5.5 0.5 0.0
ALA 90 1 7.0 2.0 5.0 0.0 0.0
LYS 91 14 18.5 5.5 9.0 4.0 0.0
GLY 92 0 7.5 6.5 1.0 0.0 0.0
ALA 93 1 7.0 4.0 3.0 0.0 0.0
LEU 94 6 5.0 5.0 0.0 0.0 0.0
GLU 95 1 5.5 3.5 2.0 0.0 0.0
HIS 96 0 0.0 0.0 0.0 0.0 0.0
HIS 97 0 0.0 0.0 0.0 0.0 0.0
HIS 98 0 0.0 0.0 0.0 0.0 0.0
HIS 99 0 0.0 0.0 0.0 0.0 0.0
HIS 100 0 0.0 0.0 0.0 0.0 0.0
HIS 101 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 395 1397.0 431.0 486.0 480.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1792.0
List of conformationally-resticting NOE constraints
assign ((resid 68 and name HN )) ( (resid 68 and name HE2 )) 5.50 3.70 0.83
assign ((resid 68 and name HN )) ( (resid 68 and name HE1 )) 5.50 3.70 0.83
assign ((resid 63 and name HA )) ( (resid 66 and name HB1 )) 4.72 2.92 0.71
assign ((resid 88 and name HN )) ( (resid 88 and name HG2* )) 3.63 1.83 0.54
assign ((resid 51 and name HD2 )) ( (resid 88 and name HG2* )) 4.29 2.49 0.64
assign ((resid 85 and name HA )) ( (resid 88 and name HG2* )) 3.94 2.14 0.59
assign ((resid 88 and name HG2* )) ( (resid 89 and name HA )) 3.82 2.02 0.57
assign ((resid 88 and name HA )) ( (resid 88 and name HG2* )) 3.39 1.59 0.51
assign ((resid 53 and name HG2* )) ( (resid 88 and name HG2* )) 4.18 2.38 0.63
assign ((resid 84 and name HG2* )) ( (resid 88 and name HG2* )) 4.42 2.62 0.66
assign ((resid 5 and name HD1 )) ( (resid 77 and name HB2 )) 4.46 2.66 0.67
assign ((resid 25 and name HA )) ( (resid 77 and name HB2 )) 4.28 2.48 0.64
assign ((resid 70 and name HB )) ( (resid 71 and name HN )) 4.18 2.38 0.63
assign ((resid 70 and name HB )) ( (resid 72 and name HN )) 4.71 2.91 0.71
assign ((resid 84 and name HG2* )) ( (resid 85 and name HN )) 3.52 1.72 0.53
assign ((resid 84 and name HG2* )) ( (resid 85 and name HA )) 4.09 2.29 0.61
assign ((resid 81 and name HA )) ( (resid 84 and name HG2* )) 4.30 2.50 0.65
assign ((resid 51 and name HB1 )) ( (resid 84 and name HG2* )) 4.39 2.59 0.66
assign ((resid 51 and name HB2 )) ( (resid 84 and name HG2* )) 4.53 2.73 0.68
assign ((resid 84 and name HG2* )) ( (resid 88 and name HB )) 4.46 2.66 0.67
assign ((resid 84 and name HG2* )) ( (resid 88 and name HG1* )) 3.18 1.38 0.48
assign ((resid 4 and name HG2* )) ( (resid 84 and name HG2* )) 3.21 1.41 0.48
assign ((resid 8 and name HG2* )) ( (resid 84 and name HG2* )) 3.76 1.96 0.56
assign ((resid 53 and name HD1* )) ( (resid 84 and name HG2* )) 3.11 1.31 0.47
assign ((resid 8 and name HN )) ( (resid 84 and name HD1* )) 5.08 3.28 0.76
assign ((resid 81 and name HN )) ( (resid 84 and name HD1* )) 5.34 3.54 0.80
assign ((resid 84 and name HN )) ( (resid 84 and name HD1* )) 3.64 1.84 0.55
assign ((resid 80 and name HA )) ( (resid 84 and name HD1* )) 4.99 3.19 0.75
assign ((resid 81 and name HA )) ( (resid 84 and name HD1* )) 3.53 1.73 0.53
assign ((resid 84 and name HA )) ( (resid 84 and name HD1* )) 4.01 2.21 0.60
assign ((resid 8 and name HB )) ( (resid 84 and name HD1* )) 4.04 2.24 0.61
assign ((resid 80 and name HD1* )) ( (resid 84 and name HD1* )) 3.53 1.73 0.53
assign ((resid 4 and name HG2* )) ( (resid 84 and name HD1* )) 3.47 1.67 0.52
assign ((resid 8 and name HG2* )) ( (resid 84 and name HD1* )) 2.90 1.10 0.44
assign ((resid 47 and name HD1* )) ( (resid 84 and name HD1* )) 3.15 1.35 0.47
assign ((resid 53 and name HD1* )) ( (resid 84 and name HG11 )) 4.18 2.38 0.63
assign ((resid 94 and name HD1* )) ( (resid 95 and name HN )) 4.85 3.05 0.73
assign ((resid 38 and name HN )) ( (resid 38 and name HD1* )) 4.13 2.33 0.62
assign ((resid 94 and name HN )) ( (resid 94 and name HD1* )) 4.37 2.57 0.66
assign ((resid 41 and name HN )) ( (resid 41 and name HD1* )) 3.99 2.19 0.60
assign ((resid 41 and name HD1* )) ( (resid 42 and name HN )) 4.57 2.77 0.69
assign ((resid 53 and name HG11 )) ( (resid 54 and name HA )) 4.64 2.84 0.70
assign ((resid 38 and name HA )) ( (resid 41 and name HD1* )) 3.21 1.41 0.48
assign ((resid 38 and name HB2 )) ( (resid 38 and name HD1* )) 3.36 1.56 0.50
assign ((resid 38 and name HB1 )) ( (resid 38 and name HD1* )) 3.13 1.33 0.47
assign ((resid 41 and name HB1 )) ( (resid 41 and name HD1* )) 3.57 1.77 0.54
assign ((resid 94 and name HB1 )) ( (resid 94 and name HD1* )) 3.56 1.76 0.53
assign ((resid 38 and name HD2* )) ( (resid 40 and name HN )) 5.50 3.70 0.83
assign ((resid 40 and name HN )) ( (resid 41 and name HD2* )) 5.50 3.70 0.83
assign ((resid 37 and name HN )) ( (resid 38 and name HD2* )) 4.71 2.91 0.71
assign ((resid 94 and name HD2* )) ( (resid 95 and name HN )) 4.71 2.91 0.71
assign ((resid 38 and name HN )) ( (resid 38 and name HD2* )) 3.95 2.15 0.59
assign ((resid 94 and name HN )) ( (resid 94 and name HD2* )) 4.36 2.56 0.65
assign ((resid 41 and name HN )) ( (resid 41 and name HD2* )) 3.96 2.16 0.59
assign ((resid 41 and name HD2* )) ( (resid 42 and name HN )) 4.74 2.94 0.71
assign ((resid 38 and name HA )) ( (resid 38 and name HD2* )) 2.99 1.19 0.45
assign ((resid 94 and name HA )) ( (resid 94 and name HD2* )) 3.21 1.41 0.48
assign ((resid 41 and name HA )) ( (resid 41 and name HD2* )) 3.13 1.33 0.47
assign ((resid 36 and name HB2 )) ( (resid 38 and name HD2* )) 5.50 3.70 0.83
assign ((resid 38 and name HB1 )) ( (resid 38 and name HD2* )) 3.20 1.40 0.48
assign ((resid 41 and name HB1 )) ( (resid 41 and name HD2* )) 3.52 1.72 0.53
assign ((resid 24 and name HA )) ( (resid 25 and name HA )) 4.82 3.02 0.72
assign ((resid 24 and name HA )) ( (resid 25 and name HG2 )) 4.72 2.92 0.71
assign ((resid 24 and name HA )) ( (resid 25 and name HG1 )) 4.76 2.96 0.71
assign ((resid 56 and name HA )) ( (resid 57 and name HA )) 4.73 2.93 0.71
assign ((resid 5 and name HD2 )) ( (resid 6 and name HA )) 4.78 2.98 0.72
assign ((resid 6 and name HA )) ( (resid 20 and name HH12 )) 5.00 3.20 0.75
assign ((resid 6 and name HA )) ( (resid 20 and name HH21 )) 5.02 3.22 0.75
assign ((resid 6 and name HA )) ( (resid 20 and name HH22 )) 5.02 3.22 0.75
assign ((resid 5 and name HE1 )) ( (resid 77 and name HA )) 4.54 2.74 0.68
assign ((resid 76 and name HA )) ( (resid 77 and name HA )) 4.77 2.97 0.72
assign ((resid 7 and name HA )) ( (resid 10 and name HB )) 4.70 2.90 0.70
assign ((resid 61 and name HB )) ( (resid 62 and name HA )) 5.05 3.25 0.76
assign ((resid 25 and name HA )) ( (resid 77 and name HA )) 5.36 3.56 0.80
assign ((resid 62 and name HA )) ( (resid 62 and name HG1 )) 3.61 1.81 0.54
assign ((resid 88 and name HA )) ( (resid 89 and name HA )) 5.50 3.70 0.83
assign ((resid 8 and name HA )) ( (resid 11 and name HA )) 4.99 3.19 0.75
assign ((resid 8 and name HA )) ( (resid 11 and name HB )) 3.50 1.70 0.53
assign ((resid 8 and name HA )) ( (resid 11 and name HG12 )) 4.04 2.24 0.61
assign ((resid 8 and name HA )) ( (resid 11 and name HG11 )) 3.41 1.61 0.51
assign ((resid 53 and name HG2* )) ( (resid 88 and name HA )) 3.24 1.44 0.49
assign ((resid 9 and name HA )) ( (resid 12 and name HN )) 4.41 2.61 0.66
assign ((resid 6 and name HA )) ( (resid 9 and name HA )) 5.15 3.35 0.77
assign ((resid 9 and name HA )) ( (resid 12 and name HB )) 4.00 2.20 0.60
assign ((resid 9 and name HA )) ( (resid 13 and name HB* )) 4.87 3.07 0.73
assign ((resid 9 and name HB* )) ( (resid 10 and name HA )) 5.02 3.22 0.75
assign ((resid 10 and name HA )) ( (resid 23 and name HD1* )) 5.39 3.59 0.81
assign ((resid 11 and name HA )) ( (resid 11 and name HG12 )) 3.69 1.89 0.55
assign ((resid 10 and name HG2* )) ( (resid 11 and name HA )) 4.23 2.43 0.63
assign ((resid 11 and name HA )) ( (resid 11 and name HG11 )) 3.89 2.09 0.58
assign ((resid 12 and name HA )) ( (resid 15 and name HB )) 4.45 2.65 0.67
assign ((resid 87 and name HA )) ( (resid 90 and name HN )) 4.33 2.53 0.65
assign ((resid 91 and name HA )) ( (resid 93 and name HN )) 4.84 3.04 0.73
assign ((resid 91 and name HA )) ( (resid 92 and name HA2 )) 4.91 3.11 0.74
assign ((resid 87 and name HA )) ( (resid 88 and name HA )) 4.87 3.07 0.73
assign ((resid 84 and name HA )) ( (resid 87 and name HA )) 5.33 3.53 0.80
assign ((resid 91 and name HA )) ( (resid 91 and name HG2 )) 3.92 2.12 0.59
assign ((resid 53 and name HD1* )) ( (resid 87 and name HA )) 5.00 3.20 0.75
assign ((resid 42 and name HA )) ( (resid 45 and name HN )) 5.00 3.20 0.75
assign ((resid 42 and name HA )) ( (resid 45 and name HB1 )) 3.98 2.18 0.60
assign ((resid 42 and name HA )) ( (resid 45 and name HB2 )) 4.34 2.54 0.65
assign ((resid 15 and name HG2* )) ( (resid 42 and name HA )) 4.59 2.79 0.69
assign ((resid 13 and name HB* )) ( (resid 19 and name HA )) 4.52 2.72 0.68
assign ((resid 18 and name HG2* )) ( (resid 19 and name HA )) 4.35 2.55 0.65
assign ((resid 19 and name HA )) ( (resid 20 and name HA )) 4.51 2.71 0.68
assign ((resid 20 and name HA )) ( (resid 20 and name HD1 )) 4.08 2.28 0.61
assign ((resid 20 and name HA )) ( (resid 23 and name HB )) 4.26 2.46 0.64
assign ((resid 20 and name HA )) ( (resid 23 and name HG11 )) 4.26 2.46 0.64
assign ((resid 13 and name HB* )) ( (resid 20 and name HA )) 3.90 2.10 0.59
assign ((resid 21 and name HA )) ( (resid 23 and name HN )) 4.55 2.75 0.68
assign ((resid 60 and name HH2 )) ( (resid 83 and name HA )) 5.30 3.50 0.80
assign ((resid 83 and name HA )) ( (resid 83 and name HD2 )) 4.59 2.79 0.69
assign ((resid 23 and name HA )) ( (resid 24 and name HG2* )) 4.65 2.85 0.70
assign ((resid 23 and name HA )) ( (resid 33 and name HD1* )) 4.77 2.97 0.72
assign ((resid 23 and name HA )) ( (resid 33 and name HD2* )) 3.99 2.19 0.60
assign ((resid 5 and name HD1 )) ( (resid 25 and name HA )) 5.04 3.24 0.76
assign ((resid 25 and name HA )) ( (resid 78 and name HA )) 4.74 2.94 0.71
assign ((resid 25 and name HA )) ( (resid 77 and name HB1 )) 4.28 2.48 0.64
assign ((resid 25 and name HA )) ( (resid 76 and name HG1* )) 4.86 3.06 0.73
assign ((resid 25 and name HA )) ( (resid 77 and name HD1* )) 5.12 3.32 0.77
assign ((resid 26 and name HA )) ( (resid 76 and name HG1* )) 4.17 2.37 0.63
assign ((resid 27 and name HA )) ( (resid 28 and name HB1 )) 4.81 3.01 0.72
assign ((resid 27 and name HA )) ( (resid 32 and name HB2 )) 5.07 3.27 0.76
assign ((resid 27 and name HA )) ( (resid 33 and name HD1* )) 5.48 3.68 0.82
assign ((resid 30 and name HA )) ( (resid 35 and name HB )) 4.59 2.79 0.69
assign ((resid 30 and name HA )) ( (resid 33 and name HB2 )) 4.67 2.87 0.70
assign ((resid 28 and name HB1 )) ( (resid 31 and name HA )) 4.50 2.70 0.68
assign ((resid 29 and name HA )) ( (resid 33 and name HA )) 4.74 2.94 0.71
assign ((resid 40 and name HA )) ( (resid 40 and name HD1 )) 4.96 3.16 0.74
assign ((resid 40 and name HA )) ( (resid 43 and name HB )) 4.16 2.36 0.62
assign ((resid 43 and name HA )) ( (resid 46 and name HN )) 4.65 2.85 0.70
assign ((resid 15 and name HB )) ( (resid 43 and name HA )) 4.69 2.89 0.70
assign ((resid 43 and name HA )) ( (resid 46 and name HB* )) 3.76 1.96 0.56
assign ((resid 44 and name HA )) ( (resid 47 and name HN )) 4.32 2.52 0.65
assign ((resid 81 and name HA )) ( (resid 82 and name HA )) 5.06 3.26 0.76
assign ((resid 44 and name HA )) ( (resid 47 and name HB )) 3.84 2.04 0.58
assign ((resid 81 and name HA )) ( (resid 84 and name HB )) 3.73 1.93 0.56
assign ((resid 44 and name HA )) ( (resid 55 and name HB2 )) 4.54 2.74 0.68
assign ((resid 80 and name HD1* )) ( (resid 81 and name HA )) 4.62 2.82 0.69
assign ((resid 8 and name HG2* )) ( (resid 81 and name HA )) 3.77 1.97 0.57
assign ((resid 45 and name HA )) ( (resid 49 and name HN )) 4.59 2.79 0.69
assign ((resid 45 and name HA )) ( (resid 48 and name HB2 )) 3.80 2.00 0.57
assign ((resid 44 and name HB* )) ( (resid 45 and name HA )) 4.56 2.76 0.68
assign ((resid 45 and name HB1 )) ( (resid 46 and name HA )) 4.75 2.95 0.71
assign ((resid 82 and name HA )) ( (resid 85 and name HB2 )) 4.31 2.51 0.65
assign ((resid 46 and name HA )) ( (resid 49 and name HB2 )) 3.51 1.71 0.53
assign ((resid 46 and name HA )) ( (resid 49 and name HG1 )) 4.39 2.59 0.66
assign ((resid 47 and name HA )) ( (resid 51 and name HN )) 4.80 3.00 0.72
assign ((resid 47 and name HA )) ( (resid 50 and name HN )) 4.49 2.69 0.67
assign ((resid 85 and name HA )) ( (resid 88 and name HN )) 4.07 2.27 0.61
assign ((resid 85 and name HA )) ( (resid 89 and name HN )) 4.37 2.57 0.66
assign ((resid 48 and name HA )) ( (resid 52 and name HA2 )) 4.76 2.96 0.71
assign ((resid 48 and name HA )) ( (resid 53 and name HG12 )) 4.03 2.23 0.60
assign ((resid 48 and name HA )) ( (resid 53 and name HD1* )) 4.50 2.70 0.68
assign ((resid 77 and name HA )) ( (resid 79 and name HN )) 4.34 2.54 0.65
assign ((resid 5 and name HD1 )) ( (resid 77 and name HA )) 5.07 3.27 0.76
assign ((resid 77 and name HA )) ( (resid 80 and name HB1 )) 3.44 1.64 0.52
assign ((resid 80 and name HA )) ( (resid 80 and name HD1* )) 3.30 1.50 0.50
assign ((resid 77 and name HA )) ( (resid 80 and name HD2* )) 3.57 1.77 0.54
assign ((resid 50 and name HA )) ( (resid 51 and name HD1 )) 4.79 2.99 0.72
assign ((resid 47 and name HA )) ( (resid 50 and name HA )) 5.29 3.49 0.79
assign ((resid 49 and name HB2 )) ( (resid 50 and name HA )) 4.98 3.18 0.75
assign ((resid 49 and name HB1 )) ( (resid 50 and name HA )) 5.32 3.52 0.80
assign ((resid 50 and name HB* )) ( (resid 51 and name HA )) 4.28 2.48 0.64
assign ((resid 51 and name HA )) ( (resid 88 and name HG1* )) 4.66 2.86 0.70
assign ((resid 51 and name HA )) ( (resid 53 and name HG2* )) 4.68 2.88 0.70
assign ((resid 48 and name HA )) ( (resid 53 and name HA )) 5.27 3.47 0.79
assign ((resid 55 and name HB1 )) ( (resid 56 and name HA )) 5.09 3.29 0.76
assign ((resid 57 and name HA )) ( (resid 60 and name HN )) 4.48 2.68 0.67
assign ((resid 57 and name HA )) ( (resid 60 and name HE3 )) 4.50 2.70 0.68
assign ((resid 57 and name HA )) ( (resid 60 and name HB2 )) 4.70 2.90 0.70
assign ((resid 57 and name HA )) ( (resid 60 and name HB1 )) 4.70 2.90 0.70
assign ((resid 58 and name HA )) ( (resid 58 and name HG2 )) 3.68 1.88 0.55
assign ((resid 86 and name HA )) ( (resid 86 and name HG1 )) 3.96 2.16 0.59
assign ((resid 59 and name HA )) ( (resid 62 and name HB1 )) 4.10 2.30 0.62
assign ((resid 86 and name HA )) ( (resid 89 and name HB* )) 3.19 1.39 0.48
assign ((resid 61 and name HA )) ( (resid 64 and name HN )) 4.36 2.56 0.65
assign ((resid 61 and name HA )) ( (resid 64 and name HB )) 3.98 2.18 0.60
assign ((resid 63 and name HA )) ( (resid 68 and name HB2 )) 3.84 2.04 0.58
assign ((resid 62 and name HA )) ( (resid 65 and name HA )) 5.33 3.53 0.80
assign ((resid 68 and name HA )) ( (resid 68 and name HG2 )) 3.43 1.63 0.51
assign ((resid 68 and name HA )) ( (resid 69 and name HA )) 4.60 2.80 0.69
assign ((resid 64 and name HG2* )) ( (resid 69 and name HA )) 4.82 3.02 0.72
assign ((resid 3 and name HB1 )) ( (resid 4 and name HN )) 4.57 2.77 0.69
assign ((resid 72 and name HA )) ( (resid 75 and name HN )) 4.66 2.86 0.70
assign ((resid 73 and name HA )) ( (resid 79 and name HD21 )) 3.60 1.80 0.54
assign ((resid 73 and name HA )) ( (resid 79 and name HD22 )) 4.19 2.39 0.63
assign ((resid 72 and name HA )) ( (resid 73 and name HA )) 4.85 3.05 0.73
assign ((resid 72 and name HB1 )) ( (resid 73 and name HA )) 5.29 3.49 0.79
assign ((resid 73 and name HA )) ( (resid 76 and name HB )) 5.50 3.70 0.83
assign ((resid 5 and name HE1 )) ( (resid 78 and name HA )) 4.93 3.13 0.74
assign ((resid 78 and name HA )) ( (resid 82 and name HN )) 5.50 3.70 0.83
assign ((resid 5 and name HA )) ( (resid 78 and name HA )) 4.85 3.05 0.73
assign ((resid 84 and name HA )) ( (resid 88 and name HN )) 4.71 2.91 0.71
assign ((resid 84 and name HA )) ( (resid 87 and name HN )) 4.28 2.48 0.64
assign ((resid 84 and name HA )) ( (resid 88 and name HG1* )) 4.31 2.51 0.65
assign ((resid 84 and name HA )) ( (resid 87 and name HD1* )) 3.66 1.86 0.55
assign ((resid 89 and name HA )) ( (resid 91 and name HN )) 4.79 2.99 0.72
assign ((resid 88 and name HB )) ( (resid 89 and name HA )) 4.75 2.95 0.71
assign ((resid 93 and name HA )) ( (resid 95 and name HN )) 4.80 3.00 0.72
assign ((resid 92 and name HA1 )) ( (resid 93 and name HA )) 4.87 3.07 0.73
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assign ((resid 26 and name HN )) ( (resid 26 and name HB* )) 3.19 1.39 0.48
assign ((resid 26 and name HN )) ( (resid 26 and name HG* )) 3.17 1.37 0.48
assign ((resid 26 and name HA )) ( (resid 78 and name HE* )) 4.09 2.29 0.61
assign ((resid 26 and name HB* )) ( (resid 27 and name HN )) 3.90 2.10 0.59
assign ((resid 26 and name HG* )) ( (resid 27 and name HN )) 4.11 2.31 0.62
assign ((resid 27 and name HN )) ( (resid 27 and name HB* )) 3.25 1.45 0.49
assign ((resid 27 and name HB* )) ( (resid 32 and name HB1 )) 5.34 3.54 0.80
assign ((resid 27 and name HB* )) ( (resid 33 and name HD1* )) 4.13 2.33 0.62
assign ((resid 27 and name HB* )) ( (resid 77 and name HD1* )) 4.54 2.74 0.68
assign ((resid 28 and name HB2 )) ( (resid 31 and name HB* )) 4.53 2.73 0.68
assign ((resid 28 and name HB1 )) ( (resid 31 and name HB* )) 4.04 2.24 0.61
assign ((resid 28 and name HE1 )) ( (resid 30 and name HG1* )) 3.44 1.64 0.52
assign ((resid 29 and name HB* )) ( (resid 30 and name HG1* )) 3.48 1.68 0.52
assign ((resid 29 and name HB* )) ( (resid 75 and name HB* )) 3.70 1.90 0.56
assign ((resid 30 and name HG2* )) ( (resid 30 and name HG1* )) 3.37 1.57 0.51
assign ((resid 30 and name HG1* )) ( (resid 75 and name HE2 )) 4.23 2.43 0.63
assign ((resid 30 and name HG1* )) ( (resid 75 and name HD2 )) 3.44 1.64 0.52
assign ((resid 36 and name HB* )) ( (resid 37 and name HN )) 3.48 1.68 0.52
assign ((resid 36 and name HB* )) ( (resid 37 and name HB* )) 5.18 3.38 0.78
assign ((resid 36 and name HB* )) ( (resid 38 and name HN )) 4.67 2.87 0.70
assign ((resid 36 and name HB* )) ( (resid 38 and name HB2 )) 3.39 1.59 0.51
assign ((resid 36 and name HB* )) ( (resid 38 and name HD1* )) 4.39 2.59 0.66
assign ((resid 36 and name HB* )) ( (resid 38 and name HD2* )) 4.65 2.85 0.70
assign ((resid 36 and name HB* )) ( (resid 40 and name HN )) 4.88 3.08 0.73
assign ((resid 37 and name HB* )) ( (resid 38 and name HN )) 4.42 2.62 0.66
assign ((resid 38 and name HA )) ( (resid 41 and name HB* )) 4.52 2.72 0.68
assign ((resid 41 and name HB* )) ( (resid 41 and name HD1* )) 3.02 1.22 0.45
assign ((resid 41 and name HB* )) ( (resid 42 and name HN )) 4.09 2.29 0.61
assign ((resid 41 and name HB* )) ( (resid 42 and name HA )) 4.18 2.38 0.63
assign ((resid 42 and name HB* )) ( (resid 43 and name HN )) 3.90 2.10 0.59
assign ((resid 45 and name HA )) ( (resid 49 and name HD* )) 5.34 3.54 0.80
assign ((resid 45 and name HD1 )) ( (resid 49 and name HD* )) 3.86 2.06 0.58
assign ((resid 45 and name HD1 )) ( (resid 49 and name HE* )) 5.30 3.50 0.80
assign ((resid 45 and name HE1 )) ( (resid 49 and name HD* )) 4.55 2.75 0.68
assign ((resid 45 and name HE1 )) ( (resid 49 and name HE* )) 5.34 3.54 0.80
assign ((resid 47 and name HG2* )) ( (resid 84 and name HG1* )) 3.75 1.95 0.56
assign ((resid 49 and name HA )) ( (resid 49 and name HD* )) 4.69 2.89 0.70
assign ((resid 49 and name HA )) ( (resid 49 and name HE* )) 4.83 3.03 0.72
assign ((resid 49 and name HB2 )) ( (resid 49 and name HD* )) 3.39 1.59 0.51
assign ((resid 49 and name HB1 )) ( (resid 49 and name HD* )) 3.47 1.67 0.52
assign ((resid 49 and name HB1 )) ( (resid 49 and name HE* )) 4.72 2.92 0.71
assign ((resid 51 and name HB1 )) ( (resid 91 and name HE* )) 5.20 3.40 0.78
assign ((resid 52 and name HA1 )) ( (resid 91 and name HE* )) 5.34 3.54 0.80
assign ((resid 53 and name HA )) ( (resid 54 and name HB* )) 4.59 2.79 0.69
assign ((resid 53 and name HB )) ( (resid 54 and name HB* )) 5.34 3.54 0.80
assign ((resid 53 and name HB )) ( (resid 87 and name HB* )) 4.03 2.23 0.60
assign ((resid 53 and name HG2* )) ( (resid 87 and name HB* )) 3.81 2.01 0.57
assign ((resid 53 and name HG2* )) ( (resid 91 and name HG* )) 4.72 2.92 0.71
assign ((resid 53 and name HG2* )) ( (resid 91 and name HD* )) 3.60 1.80 0.54
assign ((resid 53 and name HG2* )) ( (resid 91 and name HE* )) 3.87 2.07 0.58
assign ((resid 53 and name HD1* )) ( (resid 84 and name HG1* )) 3.37 1.57 0.51
assign ((resid 54 and name HN )) ( (resid 54 and name HB* )) 3.18 1.38 0.48
assign ((resid 54 and name HN )) ( (resid 54 and name HG* )) 4.30 2.50 0.65
assign ((resid 54 and name HA )) ( (resid 54 and name HG* )) 3.44 1.64 0.52
assign ((resid 54 and name HA )) ( (resid 54 and name HD* )) 4.78 2.98 0.72
assign ((resid 54 and name HB* )) ( (resid 55 and name HN )) 4.44 2.64 0.67
assign ((resid 55 and name HD1* )) ( (resid 84 and name HG1* )) 4.15 2.35 0.62
assign ((resid 56 and name HG1 )) ( (resid 59 and name HE* )) 5.23 3.43 0.78
assign ((resid 57 and name HA )) ( (resid 60 and name HB* )) 3.99 2.19 0.60
assign ((resid 57 and name HD1* )) ( (resid 60 and name HB* )) 4.58 2.78 0.69
assign ((resid 59 and name HA )) ( (resid 59 and name HD* )) 4.62 2.82 0.69
assign ((resid 59 and name HA )) ( (resid 59 and name HE* )) 5.34 3.54 0.80
assign ((resid 59 and name HB1 )) ( (resid 59 and name HD* )) 3.26 1.46 0.49
assign ((resid 59 and name HG* )) ( (resid 59 and name HE* )) 3.22 1.42 0.48
assign ((resid 59 and name HG* )) ( (resid 60 and name HN )) 4.94 3.14 0.74
assign ((resid 59 and name HG* )) ( (resid 60 and name HD1 )) 4.38 2.58 0.66
assign ((resid 59 and name HG* )) ( (resid 63 and name HG* )) 4.60 2.80 0.69
assign ((resid 59 and name HE* )) ( (resid 63 and name HG* )) 4.79 2.99 0.72
assign ((resid 60 and name HB* )) ( (resid 61 and name HN )) 3.88 2.08 0.58
assign ((resid 60 and name HZ2 )) ( (resid 83 and name HB* )) 3.70 1.90 0.56
assign ((resid 60 and name HZ2 )) ( (resid 83 and name HG* )) 4.68 2.88 0.70
assign ((resid 60 and name HH2 )) ( (resid 83 and name HB* )) 3.40 1.60 0.51
assign ((resid 60 and name HH2 )) ( (resid 83 and name HG* )) 4.02 2.22 0.60
assign ((resid 61 and name HG2* )) ( (resid 65 and name HD2* )) 3.23 1.43 0.48
assign ((resid 62 and name HA )) ( (resid 62 and name HE* )) 4.05 2.25 0.61
assign ((resid 62 and name HA )) ( (resid 65 and name HD2* )) 3.80 2.00 0.57
assign ((resid 62 and name HG1 )) ( (resid 62 and name HE* )) 3.41 1.61 0.51
assign ((resid 62 and name HE* )) ( (resid 65 and name HB2 )) 4.12 2.32 0.62
assign ((resid 63 and name HN )) ( (resid 63 and name HB* )) 3.15 1.35 0.47
assign ((resid 63 and name HN )) ( (resid 63 and name HG* )) 3.24 1.44 0.49
assign ((resid 63 and name HA )) ( (resid 66 and name HB* )) 3.95 2.15 0.59
assign ((resid 63 and name HA )) ( (resid 68 and name HE* )) 5.34 3.54 0.80
assign ((resid 63 and name HB* )) ( (resid 64 and name HG2* )) 4.38 2.58 0.66
assign ((resid 63 and name HB* )) ( (resid 65 and name HN )) 5.34 3.54 0.80
assign ((resid 63 and name HB* )) ( (resid 68 and name HN )) 4.63 2.83 0.69
assign ((resid 63 and name HB* )) ( (resid 69 and name HB* )) 3.26 1.46 0.49
assign ((resid 63 and name HB* )) ( (resid 74 and name HE2 )) 4.06 2.26 0.61
assign ((resid 63 and name HG* )) ( (resid 64 and name HN )) 4.40 2.60 0.66
assign ((resid 63 and name HG* )) ( (resid 68 and name HB2 )) 4.78 2.98 0.72
assign ((resid 63 and name HG* )) ( (resid 69 and name HB* )) 4.49 2.69 0.67
assign ((resid 65 and name HN )) ( (resid 65 and name HD2* )) 4.39 2.59 0.66
assign ((resid 65 and name HA )) ( (resid 65 and name HD2* )) 4.66 2.86 0.70
assign ((resid 65 and name HB2 )) ( (resid 65 and name HD2* )) 3.22 1.42 0.48
assign ((resid 65 and name HB1 )) ( (resid 65 and name HD2* )) 3.48 1.68 0.52
assign ((resid 66 and name HN )) ( (resid 66 and name HB* )) 2.96 1.16 0.44
assign ((resid 66 and name HB* )) ( (resid 67 and name HN )) 3.71 1.91 0.56
assign ((resid 66 and name HB* )) ( (resid 68 and name HB2 )) 4.29 2.49 0.64
assign ((resid 66 and name HB* )) ( (resid 68 and name HG2 )) 4.73 2.93 0.71
assign ((resid 66 and name HB* )) ( (resid 68 and name HG1 )) 4.42 2.62 0.66
assign ((resid 66 and name HB* )) ( (resid 68 and name HD* )) 4.62 2.82 0.69
assign ((resid 66 and name HB* )) ( (resid 68 and name HE* )) 4.72 2.92 0.71
assign ((resid 67 and name HA* )) ( (resid 68 and name HA )) 4.68 2.88 0.70
assign ((resid 67 and name HA* )) ( (resid 68 and name HD* )) 5.18 3.38 0.78
assign ((resid 67 and name HA* )) ( (resid 69 and name HN )) 4.67 2.87 0.70
assign ((resid 68 and name HN )) ( (resid 68 and name HD* )) 4.10 2.30 0.62
assign ((resid 68 and name HA )) ( (resid 68 and name HD* )) 3.49 1.69 0.52
assign ((resid 68 and name HA )) ( (resid 68 and name HE* )) 4.68 2.88 0.70
assign ((resid 68 and name HB1 )) ( (resid 68 and name HD* )) 3.59 1.79 0.54
assign ((resid 68 and name HB1 )) ( (resid 68 and name HE* )) 4.74 2.94 0.71
assign ((resid 68 and name HG1 )) ( (resid 68 and name HD* )) 2.58 0.78 0.39
assign ((resid 68 and name HG1 )) ( (resid 68 and name HE* )) 3.65 1.85 0.55
assign ((resid 69 and name HA )) ( (resid 73 and name HE* )) 4.54 2.74 0.68
assign ((resid 69 and name HB* )) ( (resid 73 and name HE* )) 3.58 1.78 0.54
assign ((resid 70 and name HN )) ( (resid 73 and name HB* )) 4.35 2.55 0.65
assign ((resid 70 and name HN )) ( (resid 73 and name HG* )) 5.34 3.54 0.80
assign ((resid 72 and name HA )) ( (resid 75 and name HB* )) 4.50 2.70 0.68
assign ((resid 73 and name HN )) ( (resid 73 and name HG* )) 4.35 2.55 0.65
assign ((resid 73 and name HA )) ( (resid 79 and name HB* )) 4.28 2.48 0.64
assign ((resid 73 and name HB* )) ( (resid 74 and name HN )) 4.17 2.37 0.63
assign ((resid 74 and name HA )) ( (resid 83 and name HG* )) 4.94 3.14 0.74
assign ((resid 74 and name HD1 )) ( (resid 83 and name HB* )) 4.80 3.00 0.72
assign ((resid 74 and name HD1 )) ( (resid 83 and name HG* )) 3.37 1.57 0.51
assign ((resid 74 and name HE1 )) ( (resid 83 and name HG* )) 4.56 2.76 0.68
assign ((resid 76 and name HN )) ( (resid 79 and name HB* )) 4.26 2.46 0.64
assign ((resid 76 and name HB )) ( (resid 79 and name HB* )) 4.60 2.80 0.69
assign ((resid 76 and name HG1* )) ( (resid 78 and name HB* )) 4.05 2.25 0.61
assign ((resid 76 and name HG1* )) ( (resid 78 and name HG* )) 2.91 1.11 0.44
assign ((resid 76 and name HG1* )) ( (resid 78 and name HE* )) 3.54 1.74 0.53
assign ((resid 76 and name HG1* )) ( (resid 79 and name HB* )) 4.59 2.79 0.69
assign ((resid 78 and name HN )) ( (resid 78 and name HG* )) 3.43 1.63 0.51
assign ((resid 78 and name HB* )) ( (resid 78 and name HD2 )) 3.56 1.76 0.53
assign ((resid 78 and name HB* )) ( (resid 78 and name HE* )) 4.53 2.73 0.68
assign ((resid 78 and name HB* )) ( (resid 79 and name HN )) 4.04 2.24 0.61
assign ((resid 78 and name HG* )) ( (resid 78 and name HE* )) 3.13 1.33 0.47
assign ((resid 78 and name HG* )) ( (resid 79 and name HN )) 3.95 2.15 0.59
assign ((resid 78 and name HE* )) ( (resid 79 and name HN )) 4.34 2.54 0.65
assign ((resid 78 and name HE* )) ( (resid 79 and name HD22 )) 4.51 2.71 0.68
assign ((resid 79 and name HB* )) ( (resid 80 and name HN )) 4.17 2.37 0.63
assign ((resid 79 and name HB* )) ( (resid 80 and name HA )) 5.08 3.28 0.76
assign ((resid 80 and name HA )) ( (resid 83 and name HG* )) 4.47 2.67 0.67
assign ((resid 80 and name HD1* )) ( (resid 83 and name HB* )) 3.75 1.95 0.56
assign ((resid 80 and name HD1* )) ( (resid 84 and name HG1* )) 3.68 1.88 0.55
assign ((resid 82 and name HA )) ( (resid 85 and name HB* )) 3.56 1.76 0.53
assign ((resid 83 and name HN )) ( (resid 83 and name HG* )) 3.44 1.64 0.52
assign ((resid 83 and name HB* )) ( (resid 83 and name HD2 )) 3.66 1.86 0.55
assign ((resid 83 and name HB* )) ( (resid 83 and name HE )) 4.67 2.87 0.70
assign ((resid 83 and name HB* )) ( (resid 84 and name HN )) 3.86 2.06 0.58
assign ((resid 83 and name HB* )) ( (resid 84 and name HA )) 4.63 2.83 0.69
assign ((resid 84 and name HN )) ( (resid 84 and name HG1* )) 3.38 1.58 0.51
assign ((resid 84 and name HA )) ( (resid 84 and name HG1* )) 3.36 1.56 0.50
assign ((resid 84 and name HG2* )) ( (resid 87 and name HB* )) 4.61 2.81 0.69
assign ((resid 84 and name HG1* )) ( (resid 85 and name HN )) 4.65 2.85 0.70
assign ((resid 84 and name HG1* )) ( (resid 87 and name HD1* )) 4.09 2.29 0.61
assign ((resid 85 and name HN )) ( (resid 85 and name HB* )) 3.16 1.36 0.47
assign ((resid 85 and name HB* )) ( (resid 86 and name HN )) 3.69 1.89 0.55
assign ((resid 86 and name HA )) ( (resid 86 and name HG* )) 3.46 1.66 0.52
assign ((resid 86 and name HG* )) ( (resid 87 and name HN )) 4.66 2.86 0.70
assign ((resid 86 and name HG* )) ( (resid 89 and name HB* )) 4.96 3.16 0.74
assign ((resid 87 and name HB* )) ( (resid 87 and name HD1* )) 3.30 1.50 0.50
assign ((resid 87 and name HB* )) ( (resid 88 and name HN )) 3.91 2.11 0.59
assign ((resid 87 and name HB* )) ( (resid 88 and name HG1* )) 4.70 2.90 0.70
assign ((resid 88 and name HA )) ( (resid 91 and name HG* )) 4.29 2.49 0.64
assign ((resid 88 and name HA )) ( (resid 91 and name HD* )) 4.17 2.37 0.63
assign ((resid 88 and name HA )) ( (resid 91 and name HE* )) 4.10 2.30 0.62
assign ((resid 88 and name HG1* )) ( (resid 91 and name HE* )) 4.28 2.48 0.64
assign ((resid 89 and name HA )) ( (resid 91 and name HE* )) 5.34 3.54 0.80
assign ((resid 91 and name HN )) ( (resid 91 and name HG* )) 3.31 1.51 0.50
assign ((resid 91 and name HB2 )) ( (resid 91 and name HD* )) 3.72 1.92 0.56
assign ((resid 91 and name HB2 )) ( (resid 91 and name HE* )) 4.82 3.02 0.72
assign ((resid 91 and name HB1 )) ( (resid 91 and name HE* )) 4.43 2.63 0.66
assign ((resid 91 and name HG* )) ( (resid 91 and name HE* )) 3.15 1.35 0.47
assign ((resid 91 and name HG* )) ( (resid 92 and name HN )) 3.64 1.84 0.55
assign ((resid 91 and name HG* )) ( (resid 92 and name HA1 )) 5.34 3.54 0.80
assign ((resid 92 and name HA2 )) ( (resid 95 and name HB* )) 4.55 2.75 0.68
assign ((resid 93 and name HA )) ( (resid 95 and name HB* )) 5.25 3.45 0.79
assign ((resid 94 and name HB* )) ( (resid 95 and name HN )) 3.63 1.83 0.54
assign ((resid 95 and name HN )) ( (resid 95 and name HB* )) 2.95 1.15 0.44
list of removed NOE constraints
18-> ILE 84 HA - ILE 84 HG2* 1.80 4.01 # NoRestrctn I [2.63 3.78] -- intra
33-> ILE 84 HB - ILE 84 HD1* 1.80 3.85 # NoRestrctn I [2.63 3.78] -- intra
65-> THR 24 HA - PRO 25 HD1 1.80 4.36 # NoRestrctn S [2.00 3.95] -- sequential
66-> THR 24 HA - PRO 25 HD2 1.80 4.14 # NoRestrctn S [2.00 3.95] -- sequential
96-> ILE 12 HA - ILE 12 HG2* 1.80 3.82 # NoRestrctn I [2.63 3.78] -- intra
118-> GLU 21 HA - GLU 21 HG1 1.80 4.62 # NoRestrctn I [2.06 4.60] -- intra
133-> ILE 30 HA - ILE 30 HG12 1.80 4.74 # NoRestrctn I [2.06 4.60] -- intra
134-> ILE 30 HA - ILE 30 HG11 1.80 4.74 # NoRestrctn I [2.06 4.60] -- intra
142-> ILE 43 HA - ILE 43 HG2* 1.80 4.15 # NoRestrctn I [2.63 3.78] -- intra
152-> PHE 45 HA - ALA 46 HB* 1.80 6.33 # NoRestrctn S [2.00 6.01] -- sequential
160-> ILE 47 HA - ILE 47 HG11 1.80 4.69 # NoRestrctn I [2.06 4.60] -- intra
193-> LYS 68 HN - ALA 69 HA 1.80 5.91 # NoRestrctn S [2.00 3.99] -- sequential
221-> ILE 18 HA - ILE 18 HG2* 1.80 3.96 # NoRestrctn I [2.63 3.78] -- intra
257-> THR 22 HN - THR 22 HB 1.80 4.84 # NoRestrctn I [2.00 4.30] -- intra
264-> ALA 29 HN - ALA 29 HB* 1.80 3.94 # NoRestrctn I [2.66 3.68] -- intra
280-> ILE 43 HB - ILE 43 HD1* 1.80 4.22 # NoRestrctn I [2.63 3.78] -- intra
281-> ALA 44 HN - ALA 44 HB* 1.80 3.73 # NoRestrctn I [2.66 3.68] -- intra
292-> ALA 46 HN - ALA 46 HB* 1.80 3.69 # NoRestrctn I [2.66 3.68] -- intra
375-> LYS 68 HN - LYS 68 HB1 1.80 4.76 # NoRestrctn I [2.00 4.30] -- intra
384-> LEU 94 HN - LEU 94 HB2 1.80 4.45 # NoRestrctn I [2.00 4.30] -- intra
386-> GLU 14 HN - GLU 14 HB1 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
388-> ASP 17 HN - ASP 17 HB1 1.80 4.76 # NoRestrctn I [2.00 4.30] -- intra
419-> LEU 87 HN - LEU 87 HB1 1.80 4.70 # NoRestrctn I [2.00 4.30] -- intra
424-> LYS 91 HN - LYS 91 HB2 1.80 4.34 # NoRestrctn I [2.00 4.30] -- intra
427-> LEU 94 HN - LEU 94 HB1 1.80 4.45 # NoRestrctn I [2.00 4.30] -- intra
506-> ILE 11 HA - ILE 11 HG2* 1.80 3.97 # NoRestrctn I [2.63 3.78] -- intra
540-> ILE 23 HA - ILE 23 HG2* 1.80 3.90 # NoRestrctn I [2.63 3.78] -- intra
561-> ILE 35 HA - ILE 35 HG2* 1.80 4.08 # NoRestrctn I [2.63 3.78] -- intra
579-> ILE 47 HA - ILE 47 HG2* 1.80 4.01 # NoRestrctn I [2.63 3.78] -- intra
591-> ILE 53 HA - ILE 53 HG2* 1.80 3.83 # NoRestrctn I [2.63 3.78] -- intra
625-> GLU 21 HB2 - GLU 21 HG1 1.80 3.31 # NoRestrctn I [1.99 3.26] -- intra
634-> GLU 72 HA - GLU 72 HG1 1.80 4.61 # NoRestrctn I [2.06 4.60] -- intra
654-> GLN 62 HA - GLN 62 HG2 1.80 4.63 # NoRestrctn I [2.06 4.60] -- intra
716-> ILE 30 HB - ILE 30 HD1* 1.80 4.27 # NoRestrctn I [2.63 3.78] -- intra
814-> ILE 18 HA - PRO 19 HD2 1.80 4.01 # NoRestrctn S [2.00 3.95] -- sequential
829-> ILE 18 HA - PRO 19 HD1 1.80 4.01 # NoRestrctn S [2.00 3.95] -- sequential
879-> SER 37 HN - LEU 38 HA 1.80 6.24 # NoRestrctn S [2.00 3.99] -- sequential
882-> LEU 38 HA - LEU 38 HG 1.80 4.84 # NoRestrctn I [2.06 4.26] -- intra
925-> ILE 11 HB - ILE 11 HD1* 1.80 3.96 # NoRestrctn I [2.63 3.78] -- intra
1168-> GLU 63 HN - GLU 63 HB2 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
1170-> GLU 63 HN - GLU 63 HB1 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
1197-> THR 4 HN - THR 4 HB 1.80 4.77 # NoRestrctn I [2.00 4.30] -- intra
1207-> LEU 55 HN - LEU 55 HB2 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
1211-> SER 27 HA - HIS 28 HN 1.80 4.07 # NoRestrctn S [2.00 3.99] -- sequential
1212-> HIS 28 HN - HIS 28 HB2 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
1213-> HIS 28 HN - HIS 28 HB1 1.80 4.66 # NoRestrctn I [2.00 4.30] -- intra
1225-> ILE 35 HA - ASP 36 HN 1.80 4.11 # NoRestrctn S [2.00 3.99] -- sequential
1228-> PHE 51 HN - PHE 51 HB2 1.80 4.68 # NoRestrctn I [2.00 4.30] -- intra
1233-> ILE 30 HN - ILE 30 HB 1.80 4.42 # NoRestrctn I [2.00 4.30] -- intra
1236-> THR 61 HN - THR 61 HB 1.80 4.40 # NoRestrctn I [2.00 4.30] -- intra
1241-> ASP 32 HN - ASP 32 HB1 1.80 4.34 # NoRestrctn I [2.00 4.30] -- intra
1242-> ASP 32 HN - ASP 32 HB2 1.80 4.76 # NoRestrctn I [2.00 4.30] -- intra
1257-> GLU 14 HN - GLU 14 HB2 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
1261-> CYS 16 HN - ASP 17 HA 1.80 5.57 # NoRestrctn S [2.00 3.99] -- sequential
1263-> CYS 16 HN - CYS 16 HB2 1.80 4.76 # NoRestrctn I [2.00 4.30] -- intra
1264-> CYS 16 HN - CYS 16 HB1 1.80 4.76 # NoRestrctn I [2.00 4.30] -- intra
1269-> SER 27 HN - SER 27 HB1 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
1270-> SER 27 HN - SER 27 HB2 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
1311-> LEU 33 HN - LEU 33 HB1 1.80 4.52 # NoRestrctn I [2.00 4.30] -- intra
1366-> ASP 17 HA - ILE 18 HN 1.80 4.01 # NoRestrctn S [2.00 3.99] -- sequential
1378-> ASP 17 HN - ASP 17 HB2 1.80 4.76 # NoRestrctn I [2.00 4.30] -- intra
1381-> LYS 91 HN - GLY 92 HA1 1.80 6.33 # NoRestrctn S [2.00 3.99] -- sequential
1382-> LYS 91 HN - GLY 92 HA2 1.80 6.33 # NoRestrctn S [2.00 3.99] -- sequential
1390-> LYS 54 HN - LYS 54 HB1 1.80 4.38 # NoRestrctn I [2.00 4.30] -- intra
1395-> ARG 7 HN - ARG 7 HB2 1.80 4.34 # NoRestrctn I [2.00 4.30] -- intra
1396-> ARG 7 HN - ARG 7 HB1 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
1422-> ALA 69 HN - ALA 69 HB* 1.80 3.88 # NoRestrctn I [2.66 3.68] -- intra
1480-> LEU 87 HN - LEU 87 HB2 1.80 4.70 # NoRestrctn I [2.00 4.30] -- intra
1493-> ILE 84 HN - ASP 85 HA 1.80 6.29 # NoRestrctn S [2.00 3.99] -- sequential
1520-> LEU 80 HN - LEU 80 HB1 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
1528-> LEU 41 HN - LEU 41 HB1 1.80 4.60 # NoRestrctn I [2.00 4.30] -- intra
1547-> GLU 72 HN - GLU 72 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
1549-> GLU 72 HN - GLU 72 HB2 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
1559-> PHE 5 HN - PHE 5 HB2 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
1560-> PHE 5 HN - PHE 5 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
1582-> LEU 41 HN - LEU 41 HB2 1.80 4.60 # NoRestrctn I [2.00 4.30] -- intra
1600-> LYS 54 HN - LYS 54 HB2 1.80 4.38 # NoRestrctn I [2.00 4.30] -- intra
1631-> ASN 79 HN - ASN 79 HB2 1.80 4.34 # NoRestrctn I [2.00 4.30] -- intra
1632-> ASN 79 HN - ASN 79 HB1 1.80 4.34 # NoRestrctn I [2.00 4.30] -- intra
1655-> ILE 12 HA - ILE 12 HG1* 1.80 4.21 # NoRestrctn I [2.23 4.01] -- intra
1665-> GLU 14 HA - GLU 14 HG* 1.80 4.08 # NoRestrctn I [2.23 4.01] -- intra
1669-> CYS 16 HN - CYS 16 HB* 1.80 4.07 # NoRestrctn I [2.29 3.93] -- intra
1674-> ASP 17 HN - ASP 17 HB* 1.80 4.17 # NoRestrctn I [2.29 3.93] -- intra
1688-> ARG 20 HB* - ARG 20 HD* 1.80 3.82 # NoRestrctn I [2.53 3.73] -- intra
1714-> ILE 30 HA - ILE 30 HG1* 1.80 4.11 # NoRestrctn I [2.23 4.01] -- intra
1727-> LEU 41 HN - LEU 41 HB* 1.80 3.97 # NoRestrctn I [2.29 3.93] -- intra
1758-> LYS 54 HG* - LYS 54 HE* 1.80 3.81 # NoRestrctn I [2.52 3.73] -- intra
1783-> GLU 63 HA - GLU 63 HG* 1.80 4.13 # NoRestrctn I [2.23 4.01] -- intra
1827-> PHE 75 HN - PHE 75 HB* 1.80 4.24 # NoRestrctn I [2.29 3.93] -- intra
1848-> ARG 83 HN - ARG 83 HB* 1.80 4.19 # NoRestrctn I [2.29 3.93] -- intra
1864-> LEU 87 HN - LEU 87 HB* 1.80 4.12 # NoRestrctn I [2.29 3.93] -- intra
====== TOTAL ======: 91
table of distance constraints violations
Residual Violations greater than 0.10
35-> THR 4 HG2* - ILE 84 HD1* [ 1.80 3.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.04 - 2 [ 0.04 .. 0.13]
61-> ASP 36 HB2 - LEU 38 HD2* [ 1.80 6.33] 0.11 0.19 0.02 0.16 0.00 0.04 0.15 0.01 0.00 0.01 0.00 0.00 0.13 0.00 0.00 0.13 0.11 0.17 0.00 0.00 - 12 [ 0.01 .. 0.19]
71-> ASP 6 HA - ARG 20 HH12 [ 1.80 5.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
239-> GLU 58 HB2 - THR 61 HB [ 1.80 5.43] 0.09 0.13 0.17 0.18 0.16 0.00 0.12 0.00 0.17 0.23 0.00 0.08 0.13 0.00 0.03 0.15 0.10 0.00 0.00 0.00 - 13 [ 0.03 .. 0.23]
494-> THR 70 HG2* - GLN 73 HN [ 1.80 5.32] 0.00 0.01 0.00 0.08 0.00 0.06 0.00 0.00 0.09 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.04 0.00 0.06 0.00 - 7 [ 0.01 .. 0.10]
499-> THR 10 HG2* - ILE 11 HB [ 1.80 4.91] 0.26 0.00 0.00 0.00 0.17 0.12 0.11 0.17 0.00 0.09 0.18 0.27 0.00 0.00 0.00 0.25 0.00 0.20 0.13 0.26 - 12 [ 0.09 .. 0.27]
514-> THR 15 HG2* - ASP 42 HN [ 1.80 5.12] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.13 0.00 - 3 [ 0.07 .. 0.13]
518-> THR 15 HG2* - ASP 42 HB2 [ 1.80 4.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.23 0.06 0.00 0.14 0.21 0.00 - 5 [ 0.06 .. 0.23]
550-> ILE 23 HG2* - THR 24 HG2* [ 1.80 4.47] 0.00 0.17 0.00 0.08 0.10 0.05 0.08 0.00 0.16 0.00 0.14 0.15 0.03 0.07 0.12 0.07 0.00 0.04 0.00 0.07 - 15 [ 0.00 .. 0.17]
605-> THR 70 HA - THR 71 HG2* [ 1.80 5.08] 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.34 0.00 0.00 0.34 - 4 [ 0.25 .. 0.34]
646-> THR 2 HG2* - ARG 7 HG3 [ 1.80 4.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
678-> VAL 8 HA - ILE 11 HD1* [ 1.80 4.46] 0.00 0.00 0.08 0.01 0.04 0.00 0.00 0.05 0.00 0.00 0.01 0.12 0.11 0.01 0.02 0.11 0.00 0.03 0.00 0.06 - 12 [ 0.01 .. 0.12]
686-> THR 10 HG2* - ILE 11 HD1* [ 1.80 3.89] 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.19 .. 0.38]
818-> ILE 23 HG2* - PRO 25 HD3 [ 1.80 4.73] 0.00 0.00 0.00 0.00 0.00 0.05 0.11 0.07 0.00 0.00 0.01 0.00 0.05 0.12 0.00 0.05 0.00 0.00 0.00 0.00 - 7 [ 0.01 .. 0.12]
872-> THR 4 HG2* - ARG 7 HG3 [ 1.80 5.24] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.07 .. 0.10]
877-> ASP 32 HB2 - LEU 33 HD2* [ 1.80 4.93] 0.01 0.00 0.00 0.02 0.00 0.00 0.01 0.00 0.00 0.03 0.00 0.09 0.00 0.11 0.05 0.00 0.00 0.06 0.00 0.01 - 10 [ 0.00 .. 0.11]
884-> THR 2 HG2* - ASP 6 HB2 [ 1.80 4.76] 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.26 0.22 0.12 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.07 .. 0.26]
885-> THR 2 HG2* - ASP 6 HB3 [ 1.80 4.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 - 2 [ 0.06 .. 0.19]
1046-> PHE 5 HZ - PRO 25 HD2 [ 1.80 4.42] 0.05 0.04 0.00 0.03 0.05 0.00 0.00 0.00 0.00 0.10 0.00 0.04 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.03 .. 0.10]
1091-> HIS 28 HD2 - VAL 76 HA [ 1.80 4.13] 0.11 0.02 0.08 0.05 0.07 0.07 0.00 0.12 0.00 0.10 0.10 0.00 0.14 0.13 0.05 0.18 0.09 0.00 0.13 0.00 - 15 [ 0.02 .. 0.18]
1094-> HIS 28 HD2 - GLU 72 HG3 [ 1.80 4.07] 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.10]
1626-> ARG 20 HH11 - ILE 23 HB [ 1.80 6.33] 0.00 0.00 0.00 0.00 0.03 0.00 0.07 0.00 0.00 0.00 0.00 0.07 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.03 .. 0.17]
1627-> THR 10 HB - ARG 20 HH11 [ 1.80 6.33] 0.00 0.09 0.00 0.00 0.00 0.12 0.00 0.05 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.05 .. 0.12]
1642-> ARG 7 HD* - THR 10 HG2* [ 1.80 6.14] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
1648-> THR 10 HB - ARG 20 HD* [ 1.80 5.18] 0.00 0.06 0.00 0.00 0.00 0.03 0.27 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.15 0.00 - 6 [ 0.03 .. 0.27]
1750-> ILE 53 HG2* - LYS 91 HD* [ 1.80 4.14] 0.00 0.00 0.03 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.13]
-------------------------------------------
Number of Violations greater than 0.10 3 5 1 2 3 2 6 4 4 3 3 4 6 5 4 7 3 4 6 2
-------------------------------------------
---- Summary Of Residual Distance Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 2 4 1 2 3 2 5 4 3 1 3 2 5 5 2 6 2 3 5 0 3.00
0.2 - 0.5 ang: 1 1 0 0 0 0 1 0 1 2 0 2 1 0 2 1 1 1 1 2 0.85
> 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 : 19 23 28 20 15 17 17 16 19 18 16 14 15 15 19 20 18 17 24 14 18.20
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 : 0.256 0.329 0.171 0.180 0.166 0.124 0.271 0.166 0.379 0.227 0.188 0.271 0.221 0.167 0.251 0.246 0.335 0.204 0.214 0.338 0.379
Max Intra Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.020 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.020
Max Seque Viol : 0.256 0.329 0.039 0.079 0.166 0.121 0.105 0.166 0.379 0.090 0.183 0.271 0.029 0.111 0.251 0.246 0.335 0.204 0.131 0.338 0.379
Max Medium Viol : 0.110 0.190 0.171 0.180 0.158 0.057 0.146 0.068 0.165 0.227 0.022 0.258 0.221 0.167 0.103 0.153 0.109 0.167 0.190 0.057 0.258
Max Long Viol : 0.110 0.090 0.096 0.062 0.069 0.124 0.271 0.166 0.055 0.102 0.188 0.081 0.137 0.130 0.234 0.177 0.114 0.142 0.214 0.045 0.271
Average Violation : 0.001 0.001 0.001 0.001 0.000 0.000 0.001 0.001 0.001 0.001 0.000 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.00061
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 : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.000 0.001 0.002 0.001 0.001 0.001 0.001 0.000 0.001 0.000 0.00091
Avge Mediu Viol : 0.001 0.002 0.000 0.000 0.001 0.000 0.000 0.000 0.001 0.001 0.001 0.001 0.000 0.000 0.001 0.001 0.001 0.001 0.000 0.002 0.00068
Avge Long Viol : 0.001 0.001 0.001 0.001 0.000 0.001 0.001 0.001 0.000 0.001 0.001 0.000 0.000 0.001 0.001 0.002 0.001 0.001 0.002 0.000 0.00088
RMS Violation : 0.008 0.012 0.007 0.007 0.006 0.006 0.009 0.007 0.012 0.009 0.008 0.010 0.008 0.007 0.010 0.010 0.010 0.008 0.010 0.010 0.00891
RMS Intra : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.00021
RMS Sequential : 0.007 0.012 0.010 0.013 0.008 0.005 0.011 0.005 0.013 0.016 0.001 0.014 0.016 0.011 0.006 0.012 0.007 0.008 0.011 0.003 0.01029
RMS Medium range : 0.012 0.019 0.002 0.004 0.009 0.006 0.006 0.008 0.019 0.006 0.010 0.015 0.001 0.006 0.013 0.012 0.015 0.010 0.006 0.020 0.01131
RMS Long range : 0.006 0.006 0.009 0.005 0.004 0.008 0.014 0.012 0.003 0.008 0.011 0.004 0.007 0.007 0.013 0.013 0.010 0.010 0.015 0.003 0.00916
Final --global-- Summary for 20 models, 1883 NOEs/model, 37660 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 23.101
Summ sq. viol : 2.991
Maximum viol : 0.379
Average viol : 0.00061
RMSD viol : 0.00891
Std. Dev. viol : 0.00889
RMS Intra : 0.00021
RMS Seque : 0.01029
RMS Medi : 0.01131
RMS Long : 0.00916
table of dihedral angle constraints violations
2-> [THR A 2] PSI 103.5 155.4 0.7 0.0 1.8 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 2.9]
25-> [GLU A 14] PHI -86.5 -46.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.1 0.0 - 1 [ 0.0 .. 2.1]
28-> [THR A 15] PSI -62.0 -22.0 0.4 0.1 0.0 0.0 0.4 0.6 0.0 0.0 1.3 0.0 1.0 1.8 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 - 8 [ 0.0 .. 1.8]
33-> [PRO A 19] PSI 119.9 159.9 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.3]
44-> [PRO A 25] PSI -41.6 -1.6 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.6]
56-> [ILE A 35] PSI 99.9 169.3 0.0 0.0 0.0 1.4 0.0 1.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.4]
60-> [SER A 37] PSI -58.6 -18.6 0.0 1.3 1.6 0.0 0.0 0.3 1.6 1.3 0.0 2.6 0.6 2.2 0.0 3.0 0.7 3.2 2.7 0.0 2.1 1.2 - 14 [ 0.0 .. 3.2]
61-> [LEU A 38] PHI -85.0 -45.0 0.0 0.0 0.0 0.3 0.0 0.0 1.9 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 1.2 0.0 0.7 0.2 0.0 - 6 [ 0.0 .. 1.9]
66-> [PHE A 40] PSI -65.2 -25.2 3.2 3.7 6.5 5.0 2.0 3.6 4.9 4.4 3.0 4.4 3.8 3.0 4.2 4.5 3.9 6.0 4.0 2.7 4.3 2.9 - 20 [ 2.0 .. 6.5]
88-> [PHE A 51] PSI -27.0 16.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 1.0 - 3 [ 0.0 .. 1.4]
92-> [ILE A 53] PSI 136.6 -172.6 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.1 - 3 [ 0.0 .. 1.7]
97-> [PRO A 56] PSI 86.9 -168.4 5.0 5.9 1.4 2.3 5.1 1.8 3.9 5.4 5.6 2.9 2.0 2.9 5.4 5.1 4.0 1.0 2.6 5.3 0.5 6.4 - 20 [ 0.5 .. 6.4]
98-> [LEU A 57] PHI -74.7 -34.7 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.2]
102-> [LYS A 59] PHI -84.9 -44.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.9]
161-> [GLY A 92] PSI -54.3 -14.0 0.0 0.0 1.1 0.0 2.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 - 3 [ 0.0 .. 2.5]
162-> [ALA A 93] PHI -86.5 -44.7 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.5]
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 3 4 6 3 4 2 5 3 3 3 5 4 2 3 3 4 3 3 4 4 3.55
> 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 6 7 6 5 5 6 6 4 5 4 9 4 3 3 5 5 5 6 8 7 5.45
Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Maximum Violation : 5.0 5.9 6.5 5.0 5.1 3.6 4.9 5.4 5.6 4.4 3.8 3.0 5.4 5.1 4.0 6.0 4.0 5.3 4.3 6.4 6.47
Max PHI Viol : 0.8 1.2 0.0 0.3 1.1 0.5 1.9 0.0 0.0 0.0 1.5 0.0 0.1 0.0 2.9 1.2 0.0 0.7 2.1 0.0 2.87
Max PSI Viol : 5.0 5.9 6.5 5.0 5.1 3.6 4.9 5.4 5.6 4.4 3.8 3.0 5.4 5.1 4.0 6.0 4.0 5.3 4.3 6.4 6.47
Average Violation : 0.1 0.1 0.1 0.1 0.1 0.0 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.069
Avge PHI Viol : 0.100 0.162 0.000 0.066 0.115 0.081 0.154 0.000 0.000 0.000 0.144 0.000 0.035 0.000 0.188 0.158 0.000 0.129 0.183 0.000 0.104
Avge PSI Viol : 0.359 0.370 0.408 0.333 0.345 0.293 0.405 0.379 0.355 0.349 0.335 0.343 0.337 0.388 0.322 0.349 0.349 0.334 0.321 0.387 0.354
RMS Violation : 0.485 0.567 0.569 0.446 0.477 0.330 0.573 0.560 0.505 0.456 0.379 0.393 0.529 0.579 0.491 0.549 0.428 0.478 0.421 0.565 0.494
RMS PHI Viol : 0.090 0.168 0.000 0.039 0.120 0.060 0.214 0.000 0.000 0.000 0.165 0.000 0.011 0.000 0.319 0.162 0.000 0.106 0.237 0.000 0.127
RMS PSI Viol : 0.673 0.777 0.798 0.624 0.658 0.459 0.776 0.785 0.708 0.639 0.506 0.551 0.741 0.812 0.613 0.753 0.600 0.661 0.541 0.791 0.681
Final --global-- Summary for 20 models, 165 ACOs/model, 3300 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 228.11
Summ. Sq. Viol. : 805.76
Max. Viol. : 6.466
Avg. Viol. : 0.06912
RMS Viol. : 0.49413
Std. Dev. Viol. : 0.48928
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 0.094 0.258 0.638 0.213
THR A 2 0.940 0.968 0.714 2 2
SER A 3 0.913 0.953 0.298 3 3
THR A 4 0.998 0.995 0.997 4 4
PHE A 5 0.998 0.993 0.998 0.999 5 5
ASP A 6 0.997 0.995 0.670 0.898 6 6
ARG A 7 0.997 0.996 0.994 0.922 0.414 0.719 0.998 7 7
VAL A 8 0.999 0.999 0.999 8 8
ALA A 9 0.999 0.999 9 9
THR A 10 0.993 0.989 0.692 10 10
ILE A 11 0.999 0.998 0.999 0.835 11 11
ILE A 12 0.999 0.998 0.999 0.999 12 12
ALA A 13 0.999 0.999 13 13
GLU A 14 0.997 0.986 0.924 0.473 0.312 14 14
THR A 15 0.996 0.996 0.764 15 15
CYS A 16 0.996 0.993 0.503 16 16
ASP A 17 0.998 0.920 0.603 0.649 17 17
ILE A 18 0.926 0.994 0.997 0.999 18 18
PRO A 19 0.996 0.986 0.931 0.843 19 19
ARG A 20 0.998 0.997 0.591 0.359 0.532 0.384 0.996 20 20
GLU A 21 0.999 0.995 0.999 0.994 0.518 21 21
THR A 22 0.989 0.980 0.998 22 22
ILE A 23 0.976 0.991 0.998 0.999 23 23
THR A 24 0.979 0.995 0.994 24 24
PRO A 25 0.997 0.996 0.916 0.823 25 25
GLU A 26 0.996 0.990 0.508 0.915 0.270 26 26
SER A 27 0.997 0.975 0.212 27 27
HIS A 28 0.982 0.999 0.999 0.997 28 28
ALA A 29 1.000 0.998 29 29
ILE A 30 0.999 0.990 0.998 0.999 30 30
ASP A 31 0.994 0.985 0.928 0.903 31 31
ASP A 32 0.980 0.997 0.869 0.409 32 32
LEU A 33 0.996 0.992 0.999 0.999 33 33
GLY A 34 0.985 0.973 34 34
ILE A 35 0.986 0.978 0.997 0.999 35 35
ASP A 36 0.986 0.995 0.582 0.269 36 36
SER A 37 0.992 0.994 0.219 37 37
LEU A 38 0.995 0.995 0.997 0.998 38 38
ASP A 39 0.998 0.997 0.996 0.684 39 39
PHE A 40 0.998 1.000 0.999 0.216 40 40
LEU A 41 1.000 0.998 0.997 0.998 41 41
ASP A 42 0.997 0.998 0.593 0.375 42 42
ILE A 43 0.999 0.998 0.999 0.999 43 43
ALA A 44 0.999 0.999 44 44
PHE A 45 0.998 0.998 0.994 0.794 45 45
ALA A 46 0.999 0.999 46 46
ILE A 47 0.998 1.000 0.999 1.000 47 47
ASP A 48 0.999 0.998 0.761 0.684 48 48
LYS A 49 0.997 0.990 0.999 0.996 0.767 0.496 49 49
ALA A 50 0.994 0.998 50 50
PHE A 51 0.999 0.996 0.999 0.800 51 51
GLY A 52 0.997 0.984 52 52
ILE A 53 0.985 0.988 0.999 1.000 53 53
LYS A 54 0.980 0.992 0.997 0.991 0.078 0.712 54 54
LEU A 55 0.986 0.996 0.999 0.998 55 55
PRO A 56 0.999 1.000 1.000 1.000 56 56
LEU A 57 0.999 0.998 0.999 0.999 57 57
GLU A 58 0.999 0.999 0.999 0.993 0.213 58 58
LYS A 59 0.996 0.995 0.985 0.993 0.597 0.545 59 59
TRP A 60 0.998 0.998 0.999 0.994 60 60
THR A 61 0.996 0.996 0.999 61 61
GLN A 62 0.998 0.997 0.994 0.997 0.125 62 62
GLU A 63 0.997 0.996 0.995 0.513 0.705 63 63
VAL A 64 0.999 0.999 0.998 64 64
ASN A 65 0.996 0.989 0.995 0.912 65 65
ASP A 66 0.995 0.995 0.752 0.547 66 66
GLY A 67 0.995 0.995 67 67
LYS A 68 0.990 0.975 0.995 0.993 0.425 0.420 68 68
ALA A 69 0.949 0.998 69 69
THR A 70 0.998 0.998 0.466 70 70
THR A 71 0.998 0.999 0.808 71 71
GLU A 72 0.998 0.997 0.998 0.906 0.235 72 72
GLN A 73 0.998 0.998 0.997 0.944 0.596 73 73
TYR A 74 0.993 0.860 0.997 0.993 74
PHE A 75 0.869 0.996 0.998 0.996 75
VAL A 76 0.999 0.999 0.999 76 76
LEU A 77 0.999 0.999 0.998 0.998 77 77
LYS A 78 0.998 0.999 0.999 0.939 0.998 0.497 78 78
ASN A 79 0.998 0.999 0.997 0.878 79 79
LEU A 80 1.000 0.999 0.997 0.999 80 80
ALA A 81 0.999 0.998 81 81
ALA A 82 0.999 0.999 82 82
ARG A 83 0.998 0.996 0.998 0.998 0.998 0.865 0.998 83 83
ILE A 84 0.999 0.999 0.999 0.999 84 84
ASP A 85 0.999 0.999 0.998 0.992 85 85
GLU A 86 0.997 0.998 0.947 0.432 0.396 86 86
LEU A 87 0.999 0.999 0.998 0.998 87 87
VAL A 88 0.999 0.998 1.000 88 88
ALA A 89 0.998 0.994 89 89
ALA A 90 0.998 0.997 90 90
LYS A 91 0.997 0.999 0.989 0.995 0.806 0.504 91 91
GLY A 92 0.998 0.989 92 92
ALA A 93 0.990 0.994 93 93
LEU A 94 0.976 0.971 0.996 0.999 94 94
GLU A 95 0.807 0.458 0.504 0.209 0.274
HIS A 96 0.806 0.723 0.256 0.330
HIS A 97 0.512 0.485 0.165 0.146
HIS A 98 0.577 0.634 0.378 0.291
HIS A 99 0.891 0.684 0.374 0.462
HIS A 100 0.610 0.464 0.356 0.313
HIS A 101 0.654 0.347 0.321
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 `RPR324_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 1 is: 0.475
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 2 is: 0.499
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 3 is: 0.539
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 4 is: 0.695
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 5 is: 0.400
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 6 is: 0.433
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 7 is: 0.393
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 8 is: 0.504
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 9 is: 0.538
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 10 is: 0.344 (*)
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 11 is: 0.432
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 12 is: 0.385
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 13 is: 0.405
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 14 is: 0.358
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 15 is: 0.474
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 16 is: 0.593
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 17 is: 0.590
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 18 is: 0.475
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 19 is: 0.505
> Kabsch RMSD of backbone atoms in res. A[2..73],A[76..94],for model 20 is: 0.486
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[2..73],[76..94], is: 0.476
> Range of RMSD values to reference struct. is 0.344 to 0.695
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 1 is: 0.777
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 2 is: 0.809
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 3 is: 0.798
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 4 is: 0.874
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 5 is: 0.672
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 6 is: 0.718
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 7 is: 0.689
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 8 is: 0.779
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 9 is: 0.859
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 10 is: 0.743
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 11 is: 0.682
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 12 is: 0.681
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 13 is: 0.699
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 14 is: 0.643 (*)
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 15 is: 0.673
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 16 is: 0.832
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 17 is: 0.790
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 18 is: 0.706
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 19 is: 0.728
> Kabsch RMSD of heavy atoms in res. A[2..73],A[76..94],for model 20 is: 0.697
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[2..73],[76..94], is: 0.742
> Range of RMSD values to reference struct. is 0.643 to 0.874
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..101],for model 1 is: 1.600
> Kabsch RMSD of backb atoms in res. *[1..101],for model 2 is: 1.466
> Kabsch RMSD of backb atoms in res. *[1..101],for model 3 is: 2.303
> Kabsch RMSD of backb atoms in res. *[1..101],for model 4 is: 3.648
> Kabsch RMSD of backb atoms in res. *[1..101],for model 5 is: 1.412
> Kabsch RMSD of backb atoms in res. *[1..101],for model 6 is: 2.771
> Kabsch RMSD of backb atoms in res. *[1..101],for model 7 is: 1.946
> Kabsch RMSD of backb atoms in res. *[1..101],for model 8 is: 1.281
> Kabsch RMSD of backb atoms in res. *[1..101],for model 9 is: 1.434
> Kabsch RMSD of backb atoms in res. *[1..101],for model 10 is: 1.894
> Kabsch RMSD of backb atoms in res. *[1..101],for model 11 is: 1.343
> Kabsch RMSD of backb atoms in res. *[1..101],for model 12 is: 2.227
> Kabsch RMSD of backb atoms in res. *[1..101],for model 13 is: 1.893
> Kabsch RMSD of backb atoms in res. *[1..101],for model 14 is: 1.234 (*)
> Kabsch RMSD of backb atoms in res. *[1..101],for model 15 is: 2.055
> Kabsch RMSD of backb atoms in res. *[1..101],for model 16 is: 3.249
> Kabsch RMSD of backb atoms in res. *[1..101],for model 17 is: 1.768
> Kabsch RMSD of backb atoms in res. *[1..101],for model 18 is: 1.975
> Kabsch RMSD of backb atoms in res. *[1..101],for model 19 is: 1.624
> Kabsch RMSD of backb atoms in res. *[1..101],for model 20 is: 1.788
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..101], is: 1.946
> Range of RMSD values to reference struct. is 1.234 to 3.648
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 1 is: 2.291
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 2 is: 1.987
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 3 is: 2.819
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 4 is: 4.203
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 5 is: 1.871
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 6 is: 3.450
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 7 is: 2.619
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 8 is: 1.818 (*)
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 9 is: 1.988
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 10 is: 2.445
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 11 is: 1.983
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 12 is: 2.826
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 13 is: 2.631
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 14 is: 1.849
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 15 is: 2.464
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 16 is: 3.796
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 17 is: 2.204
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 18 is: 2.482
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 19 is: 2.078
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 20 is: 2.438
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..101], is: 2.512
> Range of RMSD values to reference struct. is 1.818 to 4.203
Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues
RMSD Values
all residues ordered residues selected residues
All backbone atoms 1.9 0.5 0.5
All heavy atoms 2.5 0.7 0.7
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 >>>----------+
| |
| RPR324_NMR_em_bcr3_020.rin 0.0 1860 residues |
| |
| Ramachandran plot: 94.1% core 5.9% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 30 labelled residues (out of1860) |
| Chi1-chi2 plots: 0 labelled residues (out of1140) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
2 -1.00
3 -0.50
4 0.22
5 0.92
6 1.08
7 0.61
8 0.82
9 0.88
10 0.85
11 0.57
12 0.63
13 0.42
14 0.19
15 -0.97
16 -0.51
17 -1.50
18 -0.10
19 -0.01
20 0.66
21 0.80
22 -0.13
23 -1.01
24 0.17
25 0.47
26 -0.07
27 -0.41
28 -0.36
29 -0.48
30 -0.04
31 -0.48
32 -1.51
33 0.01
34 0.70
35 -1.29
36 -0.47
37 0.29
38 -0.24
39 0.85
40 0.07
41 0.85
42 0.95
43 0.94
44 0.86
45 1.01
46 0.65
47 0.77
48 1.00
49 0.08
50 0.07
51 -0.30
52 -0.07
53 -2.19
54 -1.21
55 -0.91
56 -2.96
57 0.64
58 0.81
59 0.05
60 1.11
61 0.96
62 0.95
63 0.87
64 0.76
65 0.89
66 -0.07
67 0.93
68 0.05
69 -0.85
70 -0.37
71 0.77
72 0.75
73 0.80
74 -2.66
75 -0.78
76 -0.70
77 0.87
78 1.05
79 0.59
80 0.62
81 0.62
82 0.44
83 0.97
84 0.67
85 1.02
86 0.82
87 1.07
88 -0.01
89 0.58
90 0.71
91 0.87
92 0.32
93 0.15
94 -0.01
#Reported_Model_Average 0.171
#Overall_Average_Reported 0.171
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
2 -0.52
3 -0.24
4 -0.02
5 0.60
6 0.10
7 0.35
8 0.72
9 0.88
10 0.41
11 0.19
12 0.66
13 0.42
14 0.34
15 -0.35
16 -0.10
17 -1.14
18 0.18
19 -0.01
20 0.21
21 0.25
22 0.13
23 -0.17
24 0.05
25 0.47
26 0.04
27 -0.20
28 -0.28
29 -0.48
30 0.20
31 -0.53
32 -1.19
33 0.43
34 0.70
35 -0.30
36 -0.71
37 0.15
38 0.18
39 0.02
40 -0.69
41 0.83
42 -0.01
43 0.75
44 0.86
45 0.51
46 0.65
47 0.83
48 0.35
49 0.52
50 0.07
51 0.04
52 -0.07
53 -1.15
54 -0.26
55 -0.97
56 -2.96
57 0.53
58 0.20
59 0.23
60 0.42
61 0.73
62 0.52
63 0.63
64 0.59
65 0.87
66 -0.50
67 0.93
68 0.09
69 -0.85
70 -0.44
71 0.20
72 0.63
73 0.67
74 -1.27
75 -0.22
76 -0.04
77 0.53
78 0.50
79 0.07
80 0.53
81 0.62
82 0.44
83 0.42
84 0.77
85 0.19
86 0.38
87 0.92
88 -0.23
89 0.58
90 0.71
91 0.39
92 0.32
93 0.15
94 0.38
#Reported_Model_Average 0.133
#Overall_Average_Reported 0.133
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
2 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
3 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.34 0.34 0.34
4 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
5 -0.22 -0.22 0.87 -0.22 0.87 -0.22 -0.22 0.87 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 0.87 -0.22 -0.22 0.87 0.87 -0.22
6 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
7 0.56 0.56 0.56 0.56 0.56 -0.51 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
8 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
9 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
10 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13
11 0.55 1.11 0.55 0.55 0.55 0.55 0.55 1.11 0.55 0.55 0.55 0.55 1.11 0.55 0.55 0.55 0.55 0.55 0.55 0.55
12 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
13 0.76 0.76 -0.02 0.76 0.76 -0.02 0.76 -0.02 0.76 0.76 0.76 0.76 -0.02 0.76 0.76 0.76 -0.02 0.76 0.76 0.76
14 0.62 0.62 0.62 0.60 0.60 0.60 0.62 0.62 0.62 0.60 0.60 0.62 0.60 0.60 0.62 0.62 0.60 0.60 0.60 0.60
15 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
16 0.95 0.95 -0.17 -0.17 0.95 0.95 -0.17 0.95 -0.17 0.95 0.95 0.95 0.95 0.95 0.95 -0.17 0.95 0.95 0.95 0.95
17 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
18 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81
19 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44
20 0.24 0.71 0.24 0.71 0.71 0.71 0.71 0.24 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.24 0.71
21 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
22 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
23 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
24 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
25 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
26 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.28 0.04
27 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.59 0.59 0.17 0.17 0.17 0.59 0.17 0.17 0.59 0.17 0.17 0.17
28 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54
29 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
30 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28
31 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
32 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 0.23 0.51 0.51
33 1.06 1.06 1.06 1.06 0.77 1.06 0.77 1.06 1.06 1.06 1.06 0.77 1.06 1.06 0.77 0.77 1.06 0.77 0.77 0.77
34 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
35 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
36 0.23 0.23 0.23 0.51 0.23 0.51 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23
37 0.16 0.47 0.47 0.47 0.16 0.47 0.47 0.47 0.16 0.47 0.47 0.47 -0.38 0.47 0.47 0.47 0.47 0.47 0.47 0.16
38 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37
39 -0.28 0.29 -0.28 0.29 0.29 0.29 0.29 0.29 -0.28 0.29 0.29 0.29 -0.28 0.29 0.29 0.29 0.29 -0.28 0.29 0.29
40 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
41 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46
42 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.29 0.29 0.44 0.44 0.29 0.29 0.44 0.29 0.29 0.29
43 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
44 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
45 -1.35 -1.81 -1.35 -1.81 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.81 -1.81
46 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.44 -0.02 0.76 -0.02 -0.02 -0.02 0.76 -0.02 -0.02 0.76 0.76 -0.02
47 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
48 -0.28 0.29 -0.28 0.29 -0.28 0.29 -0.28 0.29 -0.28 -0.28 0.29 0.29 0.29 0.29 0.29 0.29 0.29 -0.28 -0.28 -0.28
49 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07
50 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44
51 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
52 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
53 0.81 0.93 0.93 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.93 0.81 0.81
54 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
55 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
56 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
57 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30
58 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.62 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60
59 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
60 1.11 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
61 -0.13 -0.13 -0.13 0.39 -0.13 0.39 -0.13 -0.13 -0.13 -0.13 0.39 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 0.39 -0.13
62 0.62 0.62 0.62 0.62 0.62 0.62 0.29 0.29 0.62 0.62 0.62 0.29 0.29 0.62 0.62 0.29 0.62 0.62 0.62 0.29
63 0.09 0.09 0.09 0.09 0.62 -0.43 -0.43 -0.43 0.09 0.09 -0.43 -0.43 0.62 0.62 0.09 -0.58 0.09 -0.43 0.62 -0.43
64 0.30 -0.62 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.41 0.30 -0.62 0.30 -0.62 0.30 0.30 -0.62
65 0.32 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 -0.02
66 0.51 0.51 0.51 0.51 0.23 0.23 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
67 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
68 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
69 -0.25 0.49 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25
70 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
71 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
72 0.62 0.62 0.60 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.60 0.62 0.60 0.60 0.60 0.62 0.60
73 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
74 0.86 0.86 0.86 0.86 0.86 0.50 0.50 0.86 0.86 0.86 0.86 0.86 0.86 0.50 0.86 0.86 0.86 0.86 0.86 0.86
75 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
76 -0.40 -0.40 -0.40 0.66 0.66 0.66 0.66 -0.40 0.66 -0.40 0.66 0.66 0.66 -0.40 0.66 -0.40 0.66 0.66 0.66 -0.40
77 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
78 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
79 -0.58 -0.02 -0.02 -0.58 -0.58 -0.58 -0.58 -0.02 -0.58 -0.58 -0.58 -0.58 -0.58 -0.02 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58
80 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
81 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
82 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
83 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
84 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
85 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
86 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
87 0.71 0.71 -0.30 0.71 1.30 0.71 0.71 0.71 0.71 0.71 -0.30 0.71 0.71 -0.30 -0.30 -0.30 -0.30 0.71 0.71 1.30
88 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30
89 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
90 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
91 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66 0.66
92 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
93 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
94 -1.14 -1.14 -1.14 -1.14 -1.14 -0.68 -1.14 -1.14 -1.14 -1.14 -0.68 -0.68 -0.68 -1.14 -1.14 -0.68 -1.14 -1.14 -1.14 -1.14
#Reported_Model_Average 0.447 0.471 0.446 0.471 0.485 0.460 0.451 0.482 0.475 0.473 0.480 0.472 0.471 0.476 0.468 0.439 0.455 0.479 0.498 0.432
#Overall_Average_Reported 0.467
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
2 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
3 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.34 0.34 0.34
4 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
5 -0.22 -0.22 0.87 -0.22 0.87 -0.22 -0.22 0.87 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 0.87 -0.22 -0.22 0.87 0.87 -0.22
6 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
7 0.56 0.56 0.56 0.56 0.56 -0.51 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
8 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
9 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
10 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13
11 0.55 1.11 0.55 0.55 0.55 0.55 0.55 1.11 0.55 0.55 0.55 0.55 1.11 0.55 0.55 0.55 0.55 0.55 0.55 0.55
12 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
13 0.76 0.76 -0.02 0.76 0.76 -0.02 0.76 -0.02 0.76 0.76 0.76 0.76 -0.02 0.76 0.76 0.76 -0.02 0.76 0.76 0.76
14 0.62 0.62 0.62 0.60 0.60 0.60 0.62 0.62 0.62 0.60 0.60 0.62 0.60 0.60 0.62 0.62 0.60 0.60 0.60 0.60
15 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
16 0.95 0.95 -0.17 -0.17 0.95 0.95 -0.17 0.95 -0.17 0.95 0.95 0.95 0.95 0.95 0.95 -0.17 0.95 0.95 0.95 0.95
17 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
18 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81
19 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44
20 0.24 0.71 0.24 0.71 0.71 0.71 0.71 0.24 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.24 0.71
21 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
22 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
23 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
24 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
25 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
26 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.28 0.04
27 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.59 0.59 0.17 0.17 0.17 0.59 0.17 0.17 0.59 0.17 0.17 0.17
28 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54 0.54
29 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
30 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28
31 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
32 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 0.23 0.51 0.51
33 1.06 1.06 1.06 1.06 0.77 1.06 0.77 1.06 1.06 1.06 1.06 0.77 1.06 1.06 0.77 0.77 1.06 0.77 0.77 0.77
34 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
35 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
36 0.23 0.23 0.23 0.51 0.23 0.51 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23
37 0.16 0.47 0.47 0.47 0.16 0.47 0.47 0.47 0.16 0.47 0.47 0.47 -0.38 0.47 0.47 0.47 0.47 0.47 0.47 0.16
38 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37 -1.37
39 -0.28 0.29 -0.28 0.29 0.29 0.29 0.29 0.29 -0.28 0.29 0.29 0.29 -0.28 0.29 0.29 0.29 0.29 -0.28 0.29 0.29
40 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
41 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46
42 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.29 0.29 0.44 0.44 0.29 0.29 0.44 0.29 0.29 0.29
43 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
44 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
45 -1.35 -1.81 -1.35 -1.81 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.81 -1.81
46 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.44 -0.02 0.76 -0.02 -0.02 -0.02 0.76 -0.02 -0.02 0.76 0.76 -0.02
47 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
48 -0.28 0.29 -0.28 0.29 -0.28 0.29 -0.28 0.29 -0.28 -0.28 0.29 0.29 0.29 0.29 0.29 0.29 0.29 -0.28 -0.28 -0.28
49 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07
50 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44
51 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
52 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
53 0.81 0.93 0.93 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.93 0.81 0.81
54 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
55 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
56 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
57 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30
58 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.62 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60
59 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
60 1.11 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
61 -0.13 -0.13 -0.13 0.39 -0.13 0.39 -0.13 -0.13 -0.13 -0.13 0.39 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 0.39 -0.13
62 0.62 0.62 0.62 0.62 0.62 0.62 0.29 0.29 0.62 0.62 0.62 0.29 0.29 0.62 0.62 0.29 0.62 0.62 0.62 0.29
63 0.09 0.09 0.09 0.09 0.62 -0.43 -0.43 -0.43 0.09 0.09 -0.43 -0.43 0.62 0.62 0.09 -0.58 0.09 -0.43 0.62 -0.43
64 0.30 -0.62 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.41 0.30 -0.62 0.30 -0.62 0.30 0.30 -0.62
65 0.32 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 -0.02
66 0.51 0.51 0.51 0.51 0.23 0.23 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
67 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
68 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
69 -0.25 0.49 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25
70 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
71 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
72 0.62 0.62 0.60 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.60 0.62 0.60 0.60 0.60 0.62 0.60
73 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
74 0.86 0.86 0.86 0.86 0.86 0.50 0.50 0.86 0.86 0.86 0.86 0.86 0.86 0.50 0.86 0.86 0.86 0.86 0.86 0.86
75 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
76 -0.40 -0.40 -0.40 0.66 0.66 0.66 0.66 -0.40 0.66 -0.40 0.66 0.66 0.66 -0.40 0.66 -0.40 0.66 0.66 0.66 -0.40
77 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
78 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
79 -0.58 -0.02 -0.02 -0.58 -0.58 -0.58 -0.58 -0.02 -0.58 -0.58 -0.58 -0.58 -0.58 -0.02 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58
80 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
81 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
82 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
83 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
84 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
85 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
86 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
87 0.71 0.71 -0.30 0.71 1.30 0.71 0.71 0.71 0.71 0.71 -0.30 0.71 0.71 -0.30 -0.30 -0.30 -0.30 0.71 0.71 1.30
88 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30
89 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
90 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
91 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66 0.66
92 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
93 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
94 -1.14 -1.14 -1.14 -1.14 -1.14 -0.68 -1.14 -1.14 -1.14 -1.14 -0.68 -0.68 -0.68 -1.14 -1.14 -0.68 -1.14 -1.14 -1.14 -1.14
#Reported_Model_Average 0.447 0.471 0.446 0.471 0.485 0.460 0.451 0.482 0.475 0.473 0.480 0.472 0.471 0.476 0.468 0.439 0.455 0.479 0.498 0.432
#Overall_Average_Reported 0.467
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
2.000 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0
3.000 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0
4.000 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 1 1 1 1
5.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
6.000 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0
7.000 0 0 2 1 0 2 0 1 1 1 0 0 2 1 2 1 4 0 0 0
8.000 1 1 1 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2
9.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
10.000 0 0 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0
11.000 1 1 1 1 2 1 1 1 0 1 1 2 2 3 3 1 2 1 2 1
12.000 0 1 0 1 2 1 1 1 1 1 0 0 0 0 0 1 0 1 1 0
13.000 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0
15.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0
16.000 2 1 0 1 2 1 1 1 0 1 1 1 0 1 2 0 1 1 1 0
17.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
18.000 2 0 0 2 2 1 1 1 1 0 1 0 0 1 0 0 0 0 1 0
19.000 1 0 0 0 1 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0
20.000 0 0 1 0 0 1 0 0 2 1 0 0 0 1 0 0 0 0 1 0
21.000 2 0 0 0 2 0 1 1 1 1 1 0 1 2 0 0 0 1 1 0
22.000 1 0 0 0 1 0 1 0 0 0 1 0 1 1 0 0 0 1 1 0
23.000 0 0 0 1 0 1 1 1 1 1 0 0 0 1 0 2 1 0 1 1
24.000 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
25.000 0 1 0 1 0 0 0 0 1 0 1 0 0 0 1 0 0 1 1 0
26.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
27.000 1 0 0 1 0 0 1 1 0 0 0 0 1 0 1 1 1 0 0 0
28.000 2 2 2 1 2 2 2 4 2 2 2 2 2 2 2 1 2 3 1 3
29.000 1 0 1 1 1 1 1 0 2 1 1 1 2 2 1 1 0 2 1 0
30.000 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 1 2
31.000 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1
32.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
33.000 1 1 1 2 2 1 1 1 4 1 2 1 2 3 1 1 1 0 0 1
34.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
35.000 0 0 0 1 1 2 1 1 0 2 0 0 0 1 1 0 2 1 2 1
36.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
37.000 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1
38.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
39.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
40.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0
41.000 1 1 1 1 2 2 1 1 2 0 1 1 1 1 1 1 1 1 1 2
42.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
43.000 1 2 0 2 3 3 0 2 1 3 2 1 0 2 2 2 2 3 1 0
44.000 1 1 0 0 0 0 1 0 0 2 0 1 0 0 1 0 1 0 0 0
45.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
46.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0
47.000 3 3 0 1 2 1 2 1 0 2 1 2 3 3 2 1 4 2 1 2
48.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
49.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
50.000 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0
51.000 0 2 1 0 0 0 0 0 1 0 1 0 0 1 2 0 1 2 1 1
52.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
53.000 0 1 2 1 0 0 0 0 1 0 1 0 2 1 1 0 2 1 2 0
54.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
55.000 1 1 0 0 1 0 1 1 0 2 0 1 1 0 0 0 2 0 0 0
56.000 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 1 0
57.000 0 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 2 1
58.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
59.000 1 1 1 1 1 2 0 1 1 1 1 0 1 0 1 1 1 1 1 1
60.000 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0
61.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
62.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
63.000 1 1 2 1 1 1 0 1 2 1 0 0 2 0 1 1 1 1 0 1
64.000 0 0 0 0 1 1 0 2 0 1 2 1 0 0 1 1 0 2 3 1
65.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
66.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
67.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
68.000 0 0 2 2 0 1 0 2 0 0 0 0 1 0 0 0 0 0 0 0
69.000 0 0 1 0 1 0 0 1 1 0 1 1 0 0 1 0 0 1 0 1
70.000 0 1 0 1 0 1 0 0 1 0 0 0 1 0 0 0 1 0 1 0
71.000 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 1 0 1 2 0
72.000 1 0 1 0 1 1 2 1 0 1 1 1 1 0 1 1 0 0 2 0
73.000 0 1 2 2 0 1 0 1 1 1 0 0 1 0 0 0 2 0 1 0
74.000 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0
75.000 1 0 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0
76.000 3 3 3 2 3 2 4 1 3 2 3 3 3 2 3 3 2 3 4 1
77.000 2 1 3 2 1 2 3 3 2 1 1 1 2 1 2 3 3 0 0 2
78.000 1 2 1 3 1 0 1 0 2 0 2 1 1 1 3 1 1 2 2 0
79.000 0 1 3 3 1 1 1 1 2 1 1 0 0 1 1 0 2 1 0 1
80.000 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0
81.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
82.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
83.000 2 0 2 3 3 2 1 1 2 0 3 0 2 1 2 0 1 1 1 1
84.000 2 1 0 1 0 1 1 1 0 1 0 1 0 2 0 1 3 1 0 1
85.000 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 0
86.000 1 0 0 1 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0
87.000 1 0 1 1 1 1 0 1 1 0 1 0 1 0 1 0 0 0 1 0
88.000 1 0 0 1 1 1 2 2 1 0 1 1 1 0 1 2 1 0 2 0
89.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
90.000 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0
91.000 0 0 1 2 0 0 1 1 3 0 0 0 1 0 2 1 0 1 0 1
92.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
93.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
94.000 0 0 0 1 0 0 0 1 1 1 0 0 0 0 0 1 0 0 0 0
#Reported_Model_Average 0.473 0.387 0.505 0.602 0.559 0.559 0.473 0.559 0.602 0.495 0.495 0.301 0.495 0.452 0.570 0.430 0.559 0.452 0.559 0.355
#Overall_Average_Reported 0.494
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 76 VAL HA :A 28 HIS HA : -0.657: 0
: 1568:A 31 ASP 2HB :A 28 HIS 2HB : -0.517: 0
: 1568:A 72 GLU HA :A 76 VAL 3HG2 : -0.483: 0
: 1568:A 78 LYS 1HG :A 76 VAL 2HG1 : -0.401: 0
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.614: 0
: 1568:A 77 LEU HG :A 27 SER O : -0.409: 0
: 1568:A 47 ILE 2HG1 :A 11 ILE 1HG2 : -0.607: 0
: 1568:A 47 ILE 3HD1 :A 84 ILE CD1 : -0.433: 0
: 1568:A 84 ILE 1HD1 :A 47 ILE 3HD1 : -0.425: 0
: 1568:A 43 ILE 1HD1 :A 16 CYS SG : -0.605: 0
: 1568:A 18 ILE O :A 13 ALA HA : -0.442: 0
: 1568:A 16 CYS 1HB :A 18 ILE 2HG1 : -0.415: 0
: 1568:A 19 PRO 1HB :A 21 GLU 1HG : -0.561: 0
: 1568:A 21 GLU 2HG :A 22 THR 3HG2 : -0.499: 0
: 1568:A 44 ALA 1HB :A 55 LEU 2HD2 : -0.526: 0
: 1568:A 41 LEU HG :A 37 SER O : -0.509: 0
: 1568:A 63 GLU 1HG :A 59 LYS O : -0.492: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.490: 0
: 1568:A 87 LEU HG :A 83 ARG O : -0.488: 0
: 1568:A 86 GLU 2HB :A 83 ARG O : -0.410: 0
: 1568:A 85 ASP HA :A 88 VAL 2HG2 : -0.486: 0
: 1568:A 29 ALA 3HB :A 75 PHE 2HB : -0.470: 0
#sum2 ::14.03 clashscore : 14.03 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179752 potential dots:11230.0 A^2:22 bumps:22 bumps B<40:585.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.741: 0
: 1568:A 16 CYS SG :A 43 ILE 1HD1 : -0.640: 0
: 1568:A 12 ILE 1HG1 :A 43 ILE 3HD1 : -0.453: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.576: 0
: 1568:A 28 HIS 2HB :A 31 ASP 2HB : -0.539: 0
: 1568:A 76 VAL 2HG1 :A 78 LYS 1HG : -0.475: 0
: 1568:A 25 PRO 1HB :A 78 LYS 2HB : -0.437: 0
: 1568:A 76 VAL HB :A 79 ASN ND2 : -0.421: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.551: 0
: 1568:A 55 LEU 2HD2 :A 44 ALA 1HB : -0.483: 0
: 1568:A 11 ILE 1HG2 :A 47 ILE 2HG1 : -0.468: 0
: 1568:A 53 ILE 1HG1 :A 51 PHE 1HB : -0.460: 0
: 1568:A 84 ILE 1HD1 :A 47 ILE 3HD1 : -0.460: 0
: 1568:A 51 PHE CD1 :A 47 ILE 3HG2 : -0.405: 0
: 1568:A 6 ASP 1HB :A 3 SER 1HB : -0.462: 0
: 1568:A 73 GLN H :A 70 THR 3HG2 : -0.430: 0
: 1568:A 63 GLU 1HG :A 59 LYS O : -0.416: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.402: 0
#sum2 ::11.48 clashscore : 11.48 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179825 potential dots:11240.0 A^2:18 bumps:18 bumps B<40:617.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.800: 0
: 1568:A 77 LEU 2HB :A 5 PHE HE1 : -0.440: 0
: 1568:A 77 LEU 2HD1 :A 24 THR O : -0.427: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.674: 0
: 1568:A 60 TRP 1HB :A 57 LEU 2HD1 : -0.441: 0
: 1568:A 63 GLU 2HB :A 69 ALA 3HB : -0.635: 0
: 1568:A 63 GLU 1HG :A 59 LYS O : -0.440: 0
: 1568:A 51 PHE 1HB :A 53 ILE 1HG1 : -0.577: 0
: 1568:A 53 ILE 2HG2 :A 91 LYS 2HD : -0.495: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.575: 0
: 1568:A 31 ASP 2HB :A 28 HIS 2HB : -0.548: 0
: 1568:A 78 LYS 1HG :A 76 VAL 2HG1 : -0.482: 0
: 1568:A 72 GLU HA :A 76 VAL 3HG2 : -0.477: 0
: 1568:A 95 GLU 2HB :A 92 GLY 1HA : -0.562: 0
: 1568:A 68 LYS 2HE :A 68 LYS HA : -0.523: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.523: 0
: 1568:A 29 ALA 3HB :A 75 PHE 2HB : -0.486: 0
: 1568:A 20 ARG NH2 :A 10 THR HB : -0.449: 0
: 1568:A 73 GLN O :A 79 ASN 2HB : -0.441: 0
: 1568:A 87 LEU HG :A 83 ARG O : -0.436: 0
: 1568:A 83 ARG 1HG :A 79 ASN O : -0.421: 0
: 1568:A 79 ASN 2HD2 :A 73 GLN HA : -0.407: 0
: 1568:A 3 SER O :A 7 ARG 1HG : -0.411: 0
: 1568:A 7 ARG O :A 11 ILE 1HG1 : -0.409: 0
#sum2 ::15.31 clashscore : 15.31 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179778 potential dots:11240.0 A^2:24 bumps:24 bumps B<40:575.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 43 ILE 1HD1 :A 16 CYS SG : -0.668: 0
: 1568:A 43 ILE 1HD1 :A 35 ILE 3HD1 : -0.508: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.571: 0
: 1568:A 25 PRO 2HB :A 78 LYS 2HB : -0.557: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.555: 0
: 1568:A 70 THR 3HG2 :A 73 GLN H : -0.489: 0
: 1568:A 83 ARG 1HG :A 79 ASN O : -0.444: 0
: 1568:A 73 GLN O :A 79 ASN 2HB : -0.440: 0
: 1568:A 78 LYS 2HG :A 79 ASN OD1 : -0.421: 0
: 1568:A 87 LEU HG :A 83 ARG O : -0.416: 0
: 1568:A 78 LYS 1HG :A 76 VAL 2HG1 : -0.410: 0
: 1568:A 86 GLU 2HB :A 83 ARG O : -0.402: 0
: 1568:A 91 LYS HA :A 94 LEU 2HD1 : -0.546: 0
: 1568:A 53 ILE 2HG2 :A 91 LYS 2HD : -0.521: 0
: 1568:A 29 ALA 3HB :A 75 PHE 2HB : -0.529: 0
: 1568:A 23 ILE 1HG2 :A 9 ALA 1HB : -0.529: 0
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.512: 0
: 1568:A 12 ILE 2HG2 :A 18 ILE 2HD1 : -0.466: 0
: 1568:A 27 SER O :A 77 LEU HG : -0.465: 0
: 1568:A 33 LEU 2HD2 :A 18 ILE 3HD1 : -0.408: 0
: 1568:A 85 ASP HA :A 88 VAL 2HG2 : -0.499: 0
: 1568:A 8 VAL 1HG2 :A 81 ALA HA : -0.483: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.471: 0
: 1568:A 68 LYS 2HE :A 68 LYS HA : -0.447: 0
: 1568:A 7 ARG O :A 11 ILE 1HG1 : -0.431: 0
: 1568:A 63 GLU 1HG :A 59 LYS O : -0.424: 0
: 1568:A 14 GLU 1HG :A 10 THR O : -0.422: 0
: 1568:A 84 ILE 1HD1 :A 47 ILE 3HD1 : -0.416: 0
#sum2 ::17.86 clashscore : 17.86 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179729 potential dots:11230.0 A^2:28 bumps:28 bumps B<40:522.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 43 ILE 1HD1 :A 16 CYS SG : -0.686: 0
: 1568:A 16 CYS SG :A 12 ILE 3HG2 : -0.447: 0
: 1568:A 43 ILE 1HD1 :A 35 ILE 3HD1 : -0.440: 0
: 1568:A 12 ILE 1HG1 :A 43 ILE 3HD1 : -0.411: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.637: 0
: 1568:A 72 GLU HA :A 76 VAL 3HG2 : -0.561: 0
: 1568:A 78 LYS 1HG :A 76 VAL 2HG1 : -0.479: 0
: 1568:A 31 ASP 2HB :A 28 HIS 2HB : -0.418: 0
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.626: 0
: 1568:A 18 ILE 1HG2 :A 33 LEU 2HD2 : -0.464: 0
: 1568:A 18 ILE O :A 13 ALA HA : -0.412: 0
: 1568:A 19 PRO 1HB :A 21 GLU 1HG : -0.573: 0
: 1568:A 21 GLU 2HG :A 22 THR 3HG2 : -0.497: 0
: 1568:A 29 ALA 3HB :A 75 PHE 2HB : -0.550: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.545: 0
: 1568:A 41 LEU HG :A 37 SER O : -0.455: 0
: 1568:A 85 ASP HA :A 88 VAL 2HG2 : -0.498: 0
: 1568:A 47 ILE 2HG1 :A 11 ILE 1HG2 : -0.494: 0
: 1568:A 55 LEU 2HD1 :A 47 ILE 1HG2 : -0.472: 0
: 1568:A 46 ALA 1HB :A 11 ILE 2HD1 : -0.406: 0
: 1568:A 63 GLU 1HG :A 59 LYS O : -0.489: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.468: 0
: 1568:A 83 ARG 1HG :A 79 ASN O : -0.438: 0
: 1568:A 87 LEU HG :A 83 ARG O : -0.422: 0
: 1568:A 86 GLU 2HB :A 83 ARG O : -0.415: 0
: 1568:A 64 VAL HA :A 69 ALA O : -0.429: 0
#sum2 ::16.58 clashscore : 16.58 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179847 potential dots:11240.0 A^2:26 bumps:26 bumps B<40:577 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.794: 0
: 1568:A 77 LEU CD1 :A 23 ILE 3HG2 : -0.426: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.623: 0
: 1568:A 41 LEU HG :A 37 SER O : -0.412: 0
: 1568:A 43 ILE 1HD1 :A 16 CYS SG : -0.597: 0
: 1568:A 12 ILE 1HG1 :A 43 ILE 3HD1 : -0.532: 0
: 1568:A 43 ILE 1HD1 :A 35 ILE 3HD1 : -0.518: 0
: 1568:A 35 ILE 1HD1 :A 18 ILE 2HD1 : -0.487: 0
: 1568:A 31 ASP 2HB :A 28 HIS 2HB : -0.576: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.574: 0
: 1568:A 72 GLU HA :A 76 VAL 3HG2 : -0.400: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.509: 0
: 1568:A 85 ASP HA :A 88 VAL 2HG2 : -0.490: 0
: 1568:A 29 ALA 3HB :A 75 PHE 2HB : -0.471: 0
: 1568:A 70 THR 3HG2 :A 73 GLN H : -0.465: 0
: 1568:A 7 ARG NH2 :A 50 ALA 1HB : -0.435: 0
: 1568:A 7 ARG O :A 11 ILE 1HG1 : -0.403: 0
: 1568:A 87 LEU HG :A 83 ARG O : -0.431: 0
: 1568:A 83 ARG 1HG :A 79 ASN O : -0.423: 0
: 1568:A 56 PRO 1HG :A 59 LYS 1HE : -0.429: 0
: 1568:A 59 LYS O :A 63 GLU 2HG : -0.401: 0
: 1568:A 6 ASP CG :A 20 ARG 2HH2 : -0.424: 0
: 1568:A 66 ASP 1HB :A 68 LYS 1HG : -0.416: 0
: 1568:A 84 ILE 1HD1 :A 47 ILE 3HD1 : -0.414: 0
: 1568:A 14 GLU 1HG :A 10 THR O : -0.414: 0
: 1568:A 64 VAL 1HG1 :A 71 THR 3HG2 : -0.414: 0
#sum2 ::16.58 clashscore : 16.58 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179599 potential dots:11220.0 A^2:26 bumps:26 bumps B<40:536.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.627: 0
: 1568:A 77 LEU CD1 :A 23 ILE 3HG2 : -0.461: 0
: 1568:A 27 SER O :A 77 LEU HG : -0.435: 0
: 1568:A 47 ILE 2HG1 :A 11 ILE 1HG2 : -0.612: 0
: 1568:A 47 ILE 3HD1 :A 84 ILE CD1 : -0.445: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.605: 0
: 1568:A 60 TRP 1HB :A 57 LEU 2HD1 : -0.419: 0
: 1568:A 35 ILE 1HG1 :A 16 CYS SG : -0.550: 0
: 1568:A 72 GLU HA :A 76 VAL 3HG2 : -0.536: 0
: 1568:A 31 ASP 2HB :A 28 HIS 2HB : -0.523: 0
: 1568:A 78 LYS 1HG :A 76 VAL 2HG1 : -0.509: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.483: 0
: 1568:A 76 VAL 1HG2 :A 72 GLU 2HG : -0.420: 0
: 1568:A 44 ALA 1HB :A 55 LEU 2HD2 : -0.534: 0
: 1568:A 85 ASP HA :A 88 VAL 2HG2 : -0.500: 0
: 1568:A 91 LYS 2HE :A 88 VAL HA : -0.423: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.469: 0
: 1568:A 29 ALA 3HB :A 75 PHE 2HB : -0.467: 0
: 1568:A 12 ILE 2HG2 :A 18 ILE 2HD1 : -0.407: 0
: 1568:A 79 ASN O :A 83 ARG 1HG : -0.407: 0
: 1568:A 10 THR O :A 14 GLU 1HG : -0.401: 0
: 1568:A 22 THR 3HG2 :A 21 GLU 2HG : -0.400: 0
#sum2 ::14.03 clashscore : 14.03 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179694 potential dots:11230.0 A^2:22 bumps:22 bumps B<40:574.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 43 ILE 1HD1 :A 35 ILE 3HD1 : -0.778: 0
: 1568:A 43 ILE 1HD1 :A 16 CYS SG : -0.415: 0
: 1568:A 31 ASP 2HB :A 28 HIS 2HB : -0.598: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.503: 0
: 1568:A 72 GLU HA :A 28 HIS CD2 : -0.431: 0
: 1568:A 28 HIS CE1 :A 30 ILE HB : -0.402: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.587: 0
: 1568:A 84 ILE 1HD1 :A 47 ILE 3HD1 : -0.542: 0
: 1568:A 73 GLN HA :A 79 ASN 2HD2 : -0.540: 0
: 1568:A 80 LEU 1HD1 :A 55 LEU 1HD1 : -0.526: 0
: 1568:A 64 VAL HA :A 69 ALA O : -0.517: 0
: 1568:A 64 VAL 1HG1 :A 71 THR 3HG2 : -0.429: 0
: 1568:A 94 LEU HG :A 90 ALA O : -0.493: 0
: 1568:A 14 GLU 1HG :A 10 THR O : -0.485: 0
: 1568:A 19 PRO 1HB :A 21 GLU 1HG : -0.472: 0
: 1568:A 7 ARG O :A 11 ILE 1HG1 : -0.464: 0
: 1568:A 87 LEU HG :A 83 ARG O : -0.463: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.456: 0
: 1568:A 27 SER O :A 77 LEU HG : -0.443: 0
: 1568:A 12 ILE 2HD1 :A 77 LEU 2HD2 : -0.414: 0
: 1568:A 23 ILE 3HG2 :A 77 LEU CD1 : -0.413: 0
: 1568:A 85 ASP HA :A 88 VAL 2HG2 : -0.437: 0
: 1568:A 88 VAL O :A 91 LYS 1HG : -0.408: 0
: 1568:A 68 LYS 1HE :A 68 LYS HA : -0.433: 0
: 1568:A 33 LEU 2HD2 :A 18 ILE 3HD1 : -0.413: 0
: 1568:A 63 GLU 1HG :A 59 LYS O : -0.405: 0
#sum2 ::16.58 clashscore : 16.58 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179887 potential dots:11240.0 A^2:26 bumps:26 bumps B<40:503.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.729: 0
: 1568:A 77 LEU 2HD1 :A 24 THR O : -0.468: 0
: 1568:A 18 ILE 1HG2 :A 33 LEU 2HD2 : -0.465: 0
: 1568:A 29 ALA HA :A 33 LEU 2HD1 : -0.440: 0
: 1568:A 29 ALA O :A 33 LEU 1HB : -0.405: 0
: 1568:A 6 ASP 2HB :A 3 SER H : -0.614: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.568: 0
: 1568:A 41 LEU HG :A 37 SER O : -0.427: 0
: 1568:A 25 PRO 1HB :A 78 LYS 2HB : -0.564: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.564: 0
: 1568:A 78 LYS 1HG :A 76 VAL 2HG1 : -0.530: 0
: 1568:A 79 ASN ND2 :A 76 VAL HB : -0.457: 0
: 1568:A 83 ARG 1HG :A 79 ASN O : -0.456: 0
: 1568:A 87 LEU HG :A 83 ARG O : -0.443: 0
: 1568:A 31 ASP 1HB :A 28 HIS 2HB : -0.436: 0
: 1568:A 63 GLU 2HB :A 69 ALA 3HB : -0.562: 0
: 1568:A 63 GLU 1HG :A 59 LYS O : -0.509: 0
: 1568:A 2 THR 3HG2 :A 7 ARG HE : -0.522: 0
: 1568:A 12 ILE 1HG1 :A 43 ILE 3HD1 : -0.510: 0
: 1568:A 85 ASP HA :A 88 VAL 2HG2 : -0.503: 0
: 1568:A 70 THR 3HG2 :A 73 GLN H : -0.502: 0
: 1568:A 91 LYS HA :A 94 LEU 2HD1 : -0.466: 0
: 1568:A 91 LYS 1HE :A 51 PHE O : -0.448: 0
: 1568:A 53 ILE 2HG2 :A 91 LYS 2HD : -0.443: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.445: 0
: 1568:A 20 ARG 2HD :A 10 THR HA : -0.429: 0
: 1568:A 20 ARG HA :A 23 ILE HB : -0.423: 0
: 1568:A 19 PRO 1HB :A 21 GLU 1HG : -0.405: 0
#sum2 ::17.86 clashscore : 17.86 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179670 potential dots:11230.0 A^2:28 bumps:28 bumps B<40:551.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 43 ILE 1HD1 :A 35 ILE 3HD1 : -0.615: 0
: 1568:A 43 ILE 1HD1 :A 16 CYS SG : -0.602: 0
: 1568:A 12 ILE 1HG1 :A 43 ILE 3HD1 : -0.479: 0
: 1568:A 35 ILE O :A 30 ILE HA : -0.417: 0
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.600: 0
: 1568:A 64 VAL 1HG1 :A 71 THR 3HG2 : -0.555: 0
: 1568:A 29 ALA 3HB :A 75 PHE 2HB : -0.531: 0
: 1568:A 23 ILE 2HD1 :A 20 ARG 1HD : -0.512: 0
: 1568:A 31 ASP 2HB :A 28 HIS 2HB : -0.508: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.433: 0
: 1568:A 72 GLU HA :A 76 VAL 3HG2 : -0.419: 0
: 1568:A 19 PRO 1HB :A 21 GLU 1HG : -0.501: 0
: 1568:A 63 GLU 1HG :A 59 LYS O : -0.460: 0
: 1568:A 73 GLN HA :A 79 ASN 2HD2 : -0.459: 0
: 1568:A 47 ILE 2HG1 :A 11 ILE 1HG2 : -0.456: 0
: 1568:A 47 ILE 3HD1 :A 84 ILE CD1 : -0.410: 0
: 1568:A 44 ALA 1HB :A 55 LEU 2HD2 : -0.455: 0
: 1568:A 55 LEU 3HD1 :A 44 ALA HA : -0.409: 0
: 1568:A 7 ARG 2HG :A 3 SER O : -0.434: 0
: 1568:A 54 LYS 1HE :A 56 PRO 2HB : -0.432: 0
: 1568:A 94 LEU HG :A 90 ALA O : -0.429: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.413: 0
: 1568:A 57 LEU 2HD2 :A 40 PHE HD1 : -0.412: 0
#sum2 ::14.67 clashscore : 14.67 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179787 potential dots:11240.0 A^2:23 bumps:23 bumps B<40:579 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.741: 0
: 1568:A 33 LEU 2HB :A 18 ILE 3HD1 : -0.446: 0
: 1568:A 43 ILE 1HD1 :A 16 CYS SG : -0.616: 0
: 1568:A 43 ILE HA :A 15 THR 1HG2 : -0.469: 0
: 1568:A 29 ALA 3HB :A 75 PHE 2HB : -0.570: 0
: 1568:A 85 ASP HA :A 88 VAL 2HG2 : -0.557: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.557: 0
: 1568:A 31 ASP 2HB :A 28 HIS 2HB : -0.537: 0
: 1568:A 72 GLU HA :A 76 VAL 3HG2 : -0.536: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.474: 0
: 1568:A 78 LYS 1HG :A 76 VAL 2HG1 : -0.454: 0
: 1568:A 25 PRO 2HB :A 78 LYS 2HB : -0.453: 0
: 1568:A 64 VAL HA :A 69 ALA O : -0.524: 0
: 1568:A 60 TRP O :A 64 VAL 3HG2 : -0.418: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.515: 0
: 1568:A 21 GLU 2HG :A 22 THR 3HG2 : -0.509: 0
: 1568:A 83 ARG 1HG :A 79 ASN O : -0.459: 0
: 1568:A 86 GLU 2HB :A 83 ARG O : -0.422: 0
: 1568:A 87 LEU HG :A 83 ARG O : -0.414: 0
: 1568:A 47 ILE 2HG1 :A 11 ILE 1HG2 : -0.444: 0
: 1568:A 51 PHE 1HB :A 53 ILE 1HG1 : -0.430: 0
: 1568:A 56 PRO 1HG :A 59 LYS 1HE : -0.417: 0
: 1568:A 80 LEU 1HB :A 74 TYR O : -0.408: 0
#sum2 ::14.67 clashscore : 14.67 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179822 potential dots:11240.0 A^2:23 bumps:23 bumps B<40:557.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 16 CYS SG :A 43 ILE 1HD1 : -0.727: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.675: 0
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.639: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.606: 0
: 1568:A 28 HIS 2HB :A 31 ASP 2HB : -0.472: 0
: 1568:A 76 VAL 3HG2 :A 72 GLU HA : -0.422: 0
: 1568:A 76 VAL 2HG1 :A 78 LYS 1HG : -0.418: 0
: 1568:A 29 ALA 3HB :A 75 PHE 2HB : -0.541: 0
: 1568:A 11 ILE 1HG2 :A 47 ILE 2HG1 : -0.524: 0
: 1568:A 50 ALA 2HB :A 11 ILE 1HD1 : -0.487: 0
: 1568:A 84 ILE 1HD1 :A 47 ILE 3HD1 : -0.462: 0
: 1568:A 64 VAL HA :A 69 ALA O : -0.441: 0
: 1568:A 55 LEU 2HD2 :A 44 ALA 1HB : -0.433: 0
: 1568:A 85 ASP HA :A 88 VAL 2HG2 : -0.423: 0
#sum2 ::8.93 clashscore : 8.93 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179811 potential dots:11240.0 A^2:14 bumps:14 bumps B<40:559.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 76 VAL HA :A 28 HIS HA : -0.652: 0
: 1568:A 78 LYS 1HG :A 76 VAL 2HG1 : -0.491: 0
: 1568:A 31 ASP 2HB :A 28 HIS 2HB : -0.478: 0
: 1568:A 72 GLU HA :A 76 VAL 3HG2 : -0.468: 0
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.578: 0
: 1568:A 29 ALA 3HB :A 75 PHE 2HB : -0.548: 0
: 1568:A 29 ALA HA :A 33 LEU 2HD1 : -0.473: 0
: 1568:A 27 SER O :A 77 LEU HG : -0.450: 0
: 1568:A 2 THR 3HG2 :A 7 ARG HE : -0.557: 0
: 1568:A 47 ILE 2HG1 :A 11 ILE 1HG2 : -0.553: 0
: 1568:A 7 ARG O :A 11 ILE 1HG1 : -0.503: 0
: 1568:A 53 ILE 2HG2 :A 91 LYS 2HD : -0.468: 0
: 1568:A 55 LEU 2HD1 :A 47 ILE 1HG2 : -0.409: 0
: 1568:A 53 ILE 1HD1 :A 47 ILE 2HG2 : -0.401: 0
: 1568:A 70 THR 3HG2 :A 73 GLN H : -0.521: 0
: 1568:A 85 ASP HA :A 88 VAL 2HG2 : -0.498: 0
: 1568:A 41 LEU HG :A 37 SER O : -0.458: 0
: 1568:A 21 GLU 2HG :A 22 THR 3HG2 : -0.444: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.442: 0
: 1568:A 68 LYS 1HB :A 63 GLU 2HB : -0.439: 0
: 1568:A 63 GLU 1HG :A 59 LYS O : -0.422: 0
: 1568:A 87 LEU HG :A 83 ARG O : -0.433: 0
: 1568:A 74 TYR HD1 :A 83 ARG 2HG : -0.424: 0
#sum2 ::14.67 clashscore : 14.67 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179808 potential dots:11240.0 A^2:23 bumps:23 bumps B<40:561.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 43 ILE 1HD1 :A 35 ILE 3HD1 : -0.673: 0
: 1568:A 43 ILE 1HD1 :A 16 CYS SG : -0.534: 0
: 1568:A 47 ILE 2HG1 :A 11 ILE 1HG2 : -0.654: 0
: 1568:A 84 ILE 1HD1 :A 47 ILE 3HD1 : -0.497: 0
: 1568:A 47 ILE 3HD1 :A 84 ILE CD1 : -0.445: 0
: 1568:A 7 ARG O :A 11 ILE 1HG1 : -0.443: 0
: 1568:A 11 ILE 1HD1 :A 50 ALA 2HB : -0.429: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.627: 0
: 1568:A 31 ASP 2HB :A 28 HIS 2HB : -0.493: 0
: 1568:A 78 LYS 1HG :A 76 VAL 2HG1 : -0.469: 0
: 1568:A 19 PRO 1HB :A 21 GLU 1HG : -0.586: 0
: 1568:A 21 GLU 2HG :A 22 THR 3HG2 : -0.492: 0
: 1568:A 29 ALA 3HB :A 75 PHE 2HB : -0.578: 0
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.525: 0
: 1568:A 29 ALA HA :A 33 LEU 2HD1 : -0.418: 0
: 1568:A 33 LEU 2HD2 :A 18 ILE 3HD1 : -0.416: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.559: 0
: 1568:A 23 ILE 2HD1 :A 20 ARG 1HD : -0.508: 0
: 1568:A 51 PHE 1HB :A 53 ILE 1HG1 : -0.487: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.482: 0
: 1568:A 83 ARG 1HG :A 79 ASN O : -0.470: 0
#sum2 ::13.39 clashscore : 13.39 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179695 potential dots:11230.0 A^2:21 bumps:21 bumps B<40:564.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.720: 0
: 1568:A 27 SER O :A 77 LEU HG : -0.451: 0
: 1568:A 2 THR 1HG2 :A 7 ARG HE : -0.602: 0
: 1568:A 47 ILE 2HG1 :A 11 ILE 1HG2 : -0.592: 0
: 1568:A 7 ARG O :A 11 ILE 1HG1 : -0.512: 0
: 1568:A 44 ALA HA :A 47 ILE 2HD1 : -0.444: 0
: 1568:A 11 ILE 3HG2 :A 46 ALA 3HB : -0.400: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.596: 0
: 1568:A 31 ASP 2HB :A 28 HIS 2HB : -0.507: 0
: 1568:A 78 LYS 2HG :A 76 VAL 2HG1 : -0.460: 0
: 1568:A 76 VAL 1HG2 :A 72 GLU 2HG : -0.429: 0
: 1568:A 79 ASN N :A 78 LYS 1HD : -0.419: 0
: 1568:A 25 PRO 2HB :A 78 LYS 2HB : -0.405: 0
: 1568:A 85 ASP HA :A 88 VAL 2HG2 : -0.560: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.506: 0
: 1568:A 35 ILE 1HG1 :A 16 CYS SG : -0.493: 0
: 1568:A 43 ILE 1HD1 :A 16 CYS 1HB : -0.456: 0
: 1568:A 15 THR OG1 :A 43 ILE 1HG1 : -0.437: 0
: 1568:A 91 LYS 1HE :A 51 PHE O : -0.488: 0
: 1568:A 91 LYS O :A 95 GLU 2HG : -0.437: 0
: 1568:A 51 PHE 1HB :A 53 ILE 1HG1 : -0.406: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.436: 0
: 1568:A 64 VAL HA :A 69 ALA O : -0.436: 0
: 1568:A 29 ALA 3HB :A 75 PHE 2HB : -0.428: 0
: 1568:A 87 LEU HG :A 83 ARG O : -0.423: 0
: 1568:A 86 GLU 2HB :A 83 ARG O : -0.422: 0
: 1568:A 63 GLU 1HG :A 59 LYS O : -0.422: 0
#sum2 ::17.22 clashscore : 17.22 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179900 potential dots:11240.0 A^2:27 bumps:27 bumps B<40:558 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.681: 0
: 1568:A 27 SER O :A 77 LEU HG : -0.478: 0
: 1568:A 9 ALA 1HB :A 23 ILE 1HG2 : -0.415: 0
: 1568:A 77 LEU CD1 :A 23 ILE 3HG2 : -0.405: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.675: 0
: 1568:A 76 VAL 3HG2 :A 72 GLU HA : -0.534: 0
: 1568:A 76 VAL 2HG1 :A 78 LYS 1HG : -0.469: 0
: 1568:A 64 VAL 1HG1 :A 71 THR 3HG2 : -0.651: 0
: 1568:A 29 ALA 3HB :A 75 PHE 2HB : -0.604: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.593: 0
: 1568:A 85 ASP 1HB :A 4 THR 1HG2 : -0.539: 0
: 1568:A 88 VAL O :A 91 LYS 1HG : -0.522: 0
: 1568:A 85 ASP HA :A 88 VAL 2HG2 : -0.465: 0
: 1568:A 4 THR O :A 8 VAL 3HG2 : -0.401: 0
: 1568:A 15 THR 1HG2 :A 43 ILE HA : -0.513: 0
: 1568:A 12 ILE 1HG1 :A 43 ILE 1HG2 : -0.411: 0
: 1568:A 84 ILE 1HD1 :A 47 ILE 3HD1 : -0.430: 0
: 1568:A 7 ARG O :A 11 ILE 1HG1 : -0.414: 0
: 1568:A 90 ALA O :A 94 LEU HG : -0.413: 0
: 1568:A 63 GLU 2HG :A 59 LYS O : -0.400: 0
#sum2 ::12.76 clashscore : 12.76 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179772 potential dots:11240.0 A^2:20 bumps:20 bumps B<40:573.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.788: 0
: 1568:A 27 SER O :A 77 LEU HG : -0.485: 0
: 1568:A 77 LEU CD1 :A 23 ILE 3HG2 : -0.425: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.719: 0
: 1568:A 31 ASP 2HB :A 28 HIS 2HB : -0.576: 0
: 1568:A 78 LYS 1HG :A 76 VAL 2HG1 : -0.490: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.650: 0
: 1568:A 43 ILE 1HD1 :A 16 CYS SG : -0.564: 0
: 1568:A 43 ILE 1HD1 :A 35 ILE 3HD1 : -0.502: 0
: 1568:A 35 ILE O :A 30 ILE HA : -0.446: 0
: 1568:A 47 ILE 2HG1 :A 11 ILE 1HG2 : -0.498: 0
: 1568:A 51 PHE 1HB :A 53 ILE 1HG1 : -0.469: 0
: 1568:A 7 ARG O :A 11 ILE 1HG1 : -0.439: 0
: 1568:A 7 ARG 1HG :A 7 ARG 1HH1 : -0.439: 0
: 1568:A 53 ILE 1HD1 :A 84 ILE 3HG2 : -0.430: 0
: 1568:A 47 ILE 3HD1 :A 84 ILE CD1 : -0.416: 0
: 1568:A 55 LEU 2HD1 :A 47 ILE 1HG2 : -0.416: 0
: 1568:A 44 ALA 1HB :A 55 LEU 2HD2 : -0.402: 0
: 1568:A 84 ILE 1HD1 :A 47 ILE 3HD1 : -0.402: 0
: 1568:A 7 ARG NH1 :A 2 THR 3HG2 : -0.401: 0
: 1568:A 85 ASP HA :A 88 VAL 2HG2 : -0.494: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.477: 0
: 1568:A 83 ARG 1HG :A 79 ASN O : -0.466: 0
: 1568:A 73 GLN O :A 79 ASN 2HB : -0.424: 0
: 1568:A 70 THR 3HG2 :A 73 GLN H : -0.422: 0
: 1568:A 63 GLU 1HG :A 59 LYS O : -0.460: 0
#sum2 ::16.58 clashscore : 16.58 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179688 potential dots:11230.0 A^2:26 bumps:26 bumps B<40:577.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.646: 0
: 1568:A 43 ILE 1HD1 :A 16 CYS SG : -0.627: 0
: 1568:A 43 ILE HA :A 15 THR 1HG2 : -0.515: 0
: 1568:A 12 ILE 1HG1 :A 43 ILE 3HD1 : -0.403: 0
: 1568:A 25 PRO 1HB :A 78 LYS 2HB : -0.583: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.541: 0
: 1568:A 31 ASP 2HB :A 28 HIS 2HB : -0.511: 0
: 1568:A 78 LYS 1HG :A 76 VAL 2HG1 : -0.481: 0
: 1568:A 76 VAL 2HG2 :A 28 HIS 1HB : -0.451: 0
: 1568:A 21 GLU 2HG :A 22 THR 3HG2 : -0.515: 0
: 1568:A 64 VAL 1HG1 :A 71 THR 3HG2 : -0.507: 0
: 1568:A 64 VAL HA :A 69 ALA O : -0.412: 0
: 1568:A 47 ILE 2HG1 :A 11 ILE 1HG2 : -0.502: 0
: 1568:A 47 ILE 3HD1 :A 84 ILE CD1 : -0.464: 0
: 1568:A 29 ALA 3HB :A 75 PHE 2HB : -0.488: 0
: 1568:A 35 ILE HB :A 29 ALA 1HB : -0.432: 0
: 1568:A 91 LYS 1HE :A 51 PHE O : -0.472: 0
: 1568:A 51 PHE 1HB :A 53 ILE 1HG1 : -0.421: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.470: 0
: 1568:A 63 GLU 1HG :A 59 LYS O : -0.463: 0
: 1568:A 83 ARG 1HG :A 79 ASN O : -0.459: 0
#sum2 ::13.39 clashscore : 13.39 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179958 potential dots:11250.0 A^2:21 bumps:21 bumps B<40:538.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 35 ILE 1HG1 :A 16 CYS SG : -0.655: 0
: 1568:A 35 ILE O :A 30 ILE HA : -0.430: 0
: 1568:A 47 ILE 2HG1 :A 11 ILE 1HG2 : -0.594: 0
: 1568:A 11 ILE 3HG2 :A 46 ALA 3HB : -0.465: 0
: 1568:A 21 GLU 2HG :A 22 THR 3HG2 : -0.587: 0
: 1568:A 29 ALA 3HB :A 75 PHE 2HB : -0.580: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.567: 0
: 1568:A 57 LEU 1HD2 :A 40 PHE 2HB : -0.428: 0
: 1568:A 23 ILE 2HD1 :A 20 ARG 1HD : -0.539: 0
: 1568:A 64 VAL 1HG1 :A 71 THR 3HG2 : -0.535: 0
: 1568:A 60 TRP O :A 64 VAL 3HG2 : -0.430: 0
: 1568:A 64 VAL 1HG1 :A 71 THR CG2 : -0.407: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.533: 0
: 1568:A 8 VAL 3HG2 :A 4 THR O : -0.533: 0
: 1568:A 78 LYS 1HG :A 76 VAL 2HG1 : -0.517: 0
: 1568:A 76 VAL 1HG2 :A 72 GLU 2HG : -0.481: 0
: 1568:A 72 GLU HA :A 76 VAL 3HG2 : -0.476: 0
: 1568:A 25 PRO 2HB :A 78 LYS 2HB : -0.406: 0
: 1568:A 51 PHE 1HB :A 53 ILE 1HG1 : -0.531: 0
: 1568:A 88 VAL 2HG1 :A 53 ILE 1HG2 : -0.436: 0
: 1568:A 85 ASP HA :A 88 VAL 2HG2 : -0.424: 0
: 1568:A 56 PRO 1HG :A 59 LYS 2HD : -0.483: 0
: 1568:A 87 LEU HG :A 83 ARG O : -0.474: 0
: 1568:A 70 THR 3HG2 :A 73 GLN H : -0.460: 0
: 1568:A 15 THR OG1 :A 43 ILE 1HG1 : -0.426: 0
: 1568:A 12 ILE 2HG2 :A 18 ILE 2HD1 : -0.420: 0
#sum2 ::16.58 clashscore : 16.58 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179747 potential dots:11230.0 A^2:26 bumps:26 bumps B<40:569 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 33 LEU 1HD1 :A 77 LEU 1HD1 : -0.656: 0
: 1568:A 77 LEU 3HD1 :A 23 ILE 3HG2 : -0.489: 0
: 1568:A 76 VAL HA :A 28 HIS HA : -0.611: 0
: 1568:A 30 ILE HA :A 35 ILE O : -0.491: 0
: 1568:A 30 ILE HB :A 28 HIS HE1 : -0.432: 0
: 1568:A 28 HIS 2HB :A 31 ASP 2HB : -0.415: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU 3HD2 : -0.549: 0
: 1568:A 41 LEU HG :A 37 SER O : -0.413: 0
: 1568:A 84 ILE 1HD1 :A 47 ILE 3HD1 : -0.542: 0
: 1568:A 11 ILE 1HG2 :A 47 ILE 2HG1 : -0.538: 0
: 1568:A 63 GLU 1HG :A 59 LYS O : -0.496: 0
: 1568:A 64 VAL HA :A 69 ALA O : -0.460: 0
: 1568:A 96 HIS 1HB :A 93 ALA O : -0.460: 0
: 1568:A 8 VAL 1HG2 :A 81 ALA HA : -0.456: 0
: 1568:A 51 PHE O :A 91 LYS 1HE : -0.456: 0
: 1568:A 4 THR O :A 8 VAL 3HG2 : -0.451: 0
: 1568:A 83 ARG 1HG :A 79 ASN O : -0.413: 0
#sum2 ::10.84 clashscore : 10.84 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:179861 potential dots:11240.0 A^2:17 bumps:17 bumps B<40:603.4 score
Output from PDB validation software
Summary from PDB validation
May. 10, 16:34:16 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 2HG GLU 63 - A HH TYR 74 9 Dist = 1.50
A 3HD1 LEU 33 - A 1HD1 LEU 77 3 Dist = 1.56
A 1HD1 LEU 33 - A 1HD1 LEU 77 17 Dist = 1.57
A 1HD1 ILE 35 - A 2HD1 ILE 43 8 Dist = 1.57
A HG CYS 16 - A 1HG1 ILE 35 19 Dist = 1.58
A 1HD1 LEU 33 - A 1HD1 LEU 77 6 Dist = 1.58
A 3HG2 THR 2 - A HE ARG 7 15 Dist = 1.59
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.019 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 1.1 degrees.
All covalent bond angles lie within a 6.0*RMSD range about the
standard dictionary values.
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A GLN 62 1HE2
1 A GLN 62 2HE2
1 A ASN 65 1HD2
1 A ASN 65 2HD2
1 A GLN 73 1HE2
1 A GLN 73 2HE2
1 A ASN 79 1HD2
1 A ASN 79 2HD2
2 A GLN 62 1HE2
2 A GLN 62 2HE2
2 A ASN 65 1HD2
2 A ASN 65 2HD2
2 A GLN 73 1HE2
2 A GLN 73 2HE2
2 A ASN 79 1HD2
2 A ASN 79 2HD2
3 A GLN 62 1HE2
3 A GLN 62 2HE2
3 A ASN 65 1HD2
3 A ASN 65 2HD2
3 A GLN 73 1HE2
3 A GLN 73 2HE2
3 A ASN 79 1HD2
3 A ASN 79 2HD2
4 A GLN 62 1HE2
4 A GLN 62 2HE2
4 A ASN 65 1HD2
4 A ASN 65 2HD2
4 A GLN 73 1HE2
4 A GLN 73 2HE2
4 A ASN 79 1HD2
4 A ASN 79 2HD2
5 A GLN 62 1HE2
5 A GLN 62 2HE2
5 A ASN 65 1HD2
5 A ASN 65 2HD2
5 A GLN 73 1HE2
5 A GLN 73 2HE2
5 A ASN 79 1HD2
5 A ASN 79 2HD2
6 A GLN 62 1HE2
6 A GLN 62 2HE2
6 A ASN 65 1HD2
6 A ASN 65 2HD2
6 A GLN 73 1HE2
6 A GLN 73 2HE2
6 A ASN 79 1HD2
6 A ASN 79 2HD2
7 A GLN 62 1HE2
7 A GLN 62 2HE2
7 A ASN 65 1HD2
7 A ASN 65 2HD2
7 A GLN 73 1HE2
7 A GLN 73 2HE2
7 A ASN 79 1HD2
7 A ASN 79 2HD2
8 A GLN 62 1HE2
8 A GLN 62 2HE2
8 A ASN 65 1HD2
8 A ASN 65 2HD2
8 A GLN 73 1HE2
8 A GLN 73 2HE2
8 A ASN 79 1HD2
8 A ASN 79 2HD2
9 A GLN 62 1HE2
9 A GLN 62 2HE2
9 A ASN 65 1HD2
9 A ASN 65 2HD2
9 A GLN 73 1HE2
9 A GLN 73 2HE2
9 A ASN 79 1HD2
9 A ASN 79 2HD2
10 A GLN 62 1HE2
10 A GLN 62 2HE2
10 A ASN 65 1HD2
10 A ASN 65 2HD2
10 A GLN 73 1HE2
10 A GLN 73 2HE2
10 A ASN 79 1HD2
10 A ASN 79 2HD2
11 A GLN 62 1HE2
11 A GLN 62 2HE2
11 A ASN 65 1HD2
11 A ASN 65 2HD2
11 A GLN 73 1HE2
11 A GLN 73 2HE2
11 A ASN 79 1HD2
11 A ASN 79 2HD2
12 A GLN 62 1HE2
12 A GLN 62 2HE2
12 A ASN 65 1HD2
12 A ASN 65 2HD2
12 A GLN 73 1HE2
12 A GLN 73 2HE2
12 A ASN 79 1HD2
12 A ASN 79 2HD2
13 A GLN 62 1HE2
13 A GLN 62 2HE2
13 A ASN 65 1HD2
13 A ASN 65 2HD2
13 A GLN 73 1HE2
13 A GLN 73 2HE2
13 A ASN 79 1HD2
13 A ASN 79 2HD2
14 A GLN 62 1HE2
14 A GLN 62 2HE2
14 A ASN 65 1HD2
14 A ASN 65 2HD2
14 A GLN 73 1HE2
14 A GLN 73 2HE2
14 A ASN 79 1HD2
14 A ASN 79 2HD2
15 A GLN 62 1HE2
15 A GLN 62 2HE2
15 A ASN 65 1HD2
15 A ASN 65 2HD2
15 A GLN 73 1HE2
15 A GLN 73 2HE2
15 A ASN 79 1HD2
15 A ASN 79 2HD2
16 A GLN 62 1HE2
16 A GLN 62 2HE2
16 A ASN 65 1HD2
16 A ASN 65 2HD2
16 A GLN 73 1HE2
16 A GLN 73 2HE2
16 A ASN 79 1HD2
16 A ASN 79 2HD2
17 A GLN 62 1HE2
17 A GLN 62 2HE2
17 A ASN 65 1HD2
17 A ASN 65 2HD2
17 A GLN 73 1HE2
17 A GLN 73 2HE2
17 A ASN 79 1HD2
17 A ASN 79 2HD2
18 A GLN 62 1HE2
18 A GLN 62 2HE2
18 A ASN 65 1HD2
18 A ASN 65 2HD2
18 A GLN 73 1HE2
18 A GLN 73 2HE2
18 A ASN 79 1HD2
18 A ASN 79 2HD2
19 A GLN 62 1HE2
19 A GLN 62 2HE2
19 A ASN 65 1HD2
19 A ASN 65 2HD2
19 A GLN 73 1HE2
19 A GLN 73 2HE2
19 A ASN 79 1HD2
19 A ASN 79 2HD2
20 A GLN 62 1HE2
20 A GLN 62 2HE2
20 A ASN 65 1HD2
20 A ASN 65 2HD2
20 A GLN 73 1HE2
20 A GLN 73 2HE2
20 A ASN 79 1HD2
20 A ASN 79 2HD2
OTHER IMPORTANT ISSUES
==> The following residues are missing:
(Note: The SEQ number starts from 1 for each chain according to SEQRES
sequence record.)
RES MOD#C SEQ
MET( 1 A-100 )
THR( 1 A -99 )
SER( 1 A -98 )
THR( 1 A -97 )
PHE( 1 A -96 )
ASP( 1 A -95 )
ARG( 1 A -94 )
VAL( 1 A -93 )
ALA( 1 A -92 )
THR( 1 A -91 )
ILE( 1 A -90 )
ILE( 1 A -89 )
ALA( 1 A -88 )
GLU( 1 A -87 )
THR( 1 A -86 )
CYS( 1 A -85 )
ASP( 1 A -84 )
ILE( 1 A -83 )
PRO( 1 A -82 )
ARG( 1 A -81 )
GLU( 1 A -80 )
THR( 1 A -79 )
ILE( 1 A -78 )
THR( 1 A -77 )
PRO( 1 A -76 )
GLU( 1 A -75 )
SER( 1 A -74 )
HIS( 1 A -73 )
ALA( 1 A -72 )
ILE( 1 A -71 )
ASP( 1 A -70 )
ASP( 1 A -69 )
LEU( 1 A -68 )
GLY( 1 A -67 )
ILE( 1 A -66 )
ASP( 1 A -65 )
SER( 1 A -64 )
LEU( 1 A -63 )
ASP( 1 A -62 )
PHE( 1 A -61 )
LEU( 1 A -60 )
ASP( 1 A -59 )
ILE( 1 A -58 )
ALA( 1 A -57 )
PHE( 1 A -56 )
ALA( 1 A -55 )
ILE( 1 A -54 )
ASP( 1 A -53 )
LYS( 1 A -52 )
ALA( 1 A -51 )
PHE( 1 A -50 )
GLY( 1 A -49 )
ILE( 1 A -48 )
LYS( 1 A -47 )
LEU( 1 A -46 )
PRO( 1 A -45 )
LEU( 1 A -44 )
GLU( 1 A -43 )
LYS( 1 A -42 )
TRP( 1 A -41 )
THR( 1 A -40 )
GLN( 1 A -39 )
GLU( 1 A -38 )
VAL( 1 A -37 )
ASN( 1 A -36 )
ASP( 1 A -35 )
GLY( 1 A -34 )
LYS( 1 A -33 )
ALA( 1 A -32 )
THR( 1 A -31 )
THR( 1 A -30 )
GLU( 1 A -29 )
GLN( 1 A -28 )
TYR( 1 A -27 )
PHE( 1 A -26 )
VAL( 1 A -25 )
LEU( 1 A -24 )
LYS( 1 A -23 )
ASN( 1 A -22 )
LEU( 1 A -21 )
ALA( 1 A -20 )
ALA( 1 A -19 )
ARG( 1 A -18 )
ILE( 1 A -17 )
ASP( 1 A -16 )
GLU( 1 A -15 )
LEU( 1 A -14 )
VAL( 1 A -13 )
ALA( 1 A -12 )
ALA( 1 A -11 )
LYS( 1 A -10 )
GLY( 1 A -9 )
ALA( 1 A -8 )
LEU( 1 A -7 )
GLU( 1 A -6 )
HIS( 1 A -5 )
HIS( 1 A -4 )
HIS( 1 A -3 )
HIS( 1 A -2 )
HIS( 1 A -1 )
HIS( 1 A 0 )
MET( 2 A-100 )
THR( 2 A -99 )
SER( 2 A -98 )
THR( 2 A -97 )
PHE( 2 A -96 )
ASP( 2 A -95 )
ARG( 2 A -94 )
VAL( 2 A -93 )
ALA( 2 A -92 )
THR( 2 A -91 )
ILE( 2 A -90 )
ILE( 2 A -89 )
ALA( 2 A -88 )
GLU( 2 A -87 )
THR( 2 A -86 )
CYS( 2 A -85 )
ASP( 2 A -84 )
ILE( 2 A -83 )
PRO( 2 A -82 )
ARG( 2 A -81 )
GLU( 2 A -80 )
THR( 2 A -79 )
ILE( 2 A -78 )
THR( 2 A -77 )
PRO( 2 A -76 )
GLU( 2 A -75 )
SER( 2 A -74 )
HIS( 2 A -73 )
ALA( 2 A -72 )
ILE( 2 A -71 )
ASP( 2 A -70 )
ASP( 2 A -69 )
LEU( 2 A -68 )
GLY( 2 A -67 )
ILE( 2 A -66 )
ASP( 2 A -65 )
SER( 2 A -64 )
LEU( 2 A -63 )
ASP( 2 A -62 )
PHE( 2 A -61 )
LEU( 2 A -60 )
ASP( 2 A -59 )
ILE( 2 A -58 )
ALA( 2 A -57 )
PHE( 2 A -56 )
ALA( 2 A -55 )
ILE( 2 A -54 )
ASP( 2 A -53 )
LYS( 2 A -52 )
ALA( 2 A -51 )
PHE( 2 A -50 )
GLY( 2 A -49 )
ILE( 2 A -48 )
LYS( 2 A -47 )
LEU( 2 A -46 )
PRO( 2 A -45 )
LEU( 2 A -44 )
GLU( 2 A -43 )
LYS( 2 A -42 )
TRP( 2 A -41 )
THR( 2 A -40 )
GLN( 2 A -39 )
GLU( 2 A -38 )
VAL( 2 A -37 )
ASN( 2 A -36 )
ASP( 2 A -35 )
GLY( 2 A -34 )
LYS( 2 A -33 )
ALA( 2 A -32 )
THR( 2 A -31 )
THR( 2 A -30 )
GLU( 2 A -29 )
GLN( 2 A -28 )
TYR( 2 A -27 )
PHE( 2 A -26 )
VAL( 2 A -25 )
LEU( 2 A -24 )
LYS( 2 A -23 )
ASN( 2 A -22 )
LEU( 2 A -21 )
ALA( 2 A -20 )
ALA( 2 A -19 )
ARG( 2 A -18 )
ILE( 2 A -17 )
ASP( 2 A -16 )
GLU( 2 A -15 )
LEU( 2 A -14 )
VAL( 2 A -13 )
ALA( 2 A -12 )
ALA( 2 A -11 )
LYS( 2 A -10 )
GLY( 2 A -9 )
ALA( 2 A -8 )
LEU( 2 A -7 )
GLU( 2 A -6 )
HIS( 2 A -5 )
HIS( 2 A -4 )
HIS( 2 A -3 )
HIS( 2 A -2 )
HIS( 2 A -1 )
HIS( 2 A 0 )
MET( 3 A-100 )
THR( 3 A -99 )
SER( 3 A -98 )
THR( 3 A -97 )
PHE( 3 A -96 )
ASP( 3 A -95 )
ARG( 3 A -94 )
VAL( 3 A -93 )
ALA( 3 A -92 )
THR( 3 A -91 )
ILE( 3 A -90 )
ILE( 3 A -89 )
ALA( 3 A -88 )
GLU( 3 A -87 )
THR( 3 A -86 )
CYS( 3 A -85 )
ASP( 3 A -84 )
ILE( 3 A -83 )
PRO( 3 A -82 )
ARG( 3 A -81 )
GLU( 3 A -80 )
THR( 3 A -79 )
ILE( 3 A -78 )
THR( 3 A -77 )
PRO( 3 A -76 )
GLU( 3 A -75 )
SER( 3 A -74 )
HIS( 3 A -73 )
ALA( 3 A -72 )
ILE( 3 A -71 )
ASP( 3 A -70 )
ASP( 3 A -69 )
LEU( 3 A -68 )
GLY( 3 A -67 )
ILE( 3 A -66 )
ASP( 3 A -65 )
SER( 3 A -64 )
LEU( 3 A -63 )
ASP( 3 A -62 )
PHE( 3 A -61 )
LEU( 3 A -60 )
ASP( 3 A -59 )
ILE( 3 A -58 )
ALA( 3 A -57 )
PHE( 3 A -56 )
ALA( 3 A -55 )
ILE( 3 A -54 )
ASP( 3 A -53 )
LYS( 3 A -52 )
ALA( 3 A -51 )
PHE( 3 A -50 )
GLY( 3 A -49 )
ILE( 3 A -48 )
LYS( 3 A -47 )
LEU( 3 A -46 )
PRO( 3 A -45 )
LEU( 3 A -44 )
GLU( 3 A -43 )
LYS( 3 A -42 )
TRP( 3 A -41 )
THR( 3 A -40 )
GLN( 3 A -39 )
GLU( 3 A -38 )
VAL( 3 A -37 )
ASN( 3 A -36 )
ASP( 3 A -35 )
GLY( 3 A -34 )
LYS( 3 A -33 )
ALA( 3 A -32 )
THR( 3 A -31 )
THR( 3 A -30 )
GLU( 3 A -29 )
GLN( 3 A -28 )
TYR( 3 A -27 )
PHE( 3 A -26 )
VAL( 3 A -25 )
LEU( 3 A -24 )
LYS( 3 A -23 )
ASN( 3 A -22 )
LEU( 3 A -21 )
ALA( 3 A -20 )
ALA( 3 A -19 )
ARG( 3 A -18 )
ILE( 3 A -17 )
ASP( 3 A -16 )
GLU( 3 A -15 )
LEU( 3 A -14 )
VAL( 3 A -13 )
ALA( 3 A -12 )
ALA( 3 A -11 )
LYS( 3 A -10 )
GLY( 3 A -9 )
ALA( 3 A -8 )
LEU( 3 A -7 )
GLU( 3 A -6 )
HIS( 3 A -5 )
HIS( 3 A -4 )
HIS( 3 A -3 )
HIS( 3 A -2 )
HIS( 3 A -1 )
HIS( 3 A 0 )
MET( 4 A-100 )
THR( 4 A -99 )
SER( 4 A -98 )
THR( 4 A -97 )
PHE( 4 A -96 )
ASP( 4 A -95 )
ARG( 4 A -94 )
VAL( 4 A -93 )
ALA( 4 A -92 )
THR( 4 A -91 )
ILE( 4 A -90 )
ILE( 4 A -89 )
ALA( 4 A -88 )
GLU( 4 A -87 )
THR( 4 A -86 )
CYS( 4 A -85 )
ASP( 4 A -84 )
ILE( 4 A -83 )
PRO( 4 A -82 )
ARG( 4 A -81 )
GLU( 4 A -80 )
THR( 4 A -79 )
ILE( 4 A -78 )
THR( 4 A -77 )
PRO( 4 A -76 )
GLU( 4 A -75 )
SER( 4 A -74 )
HIS( 4 A -73 )
ALA( 4 A -72 )
ILE( 4 A -71 )
ASP( 4 A -70 )
ASP( 4 A -69 )
LEU( 4 A -68 )
GLY( 4 A -67 )
ILE( 4 A -66 )
ASP( 4 A -65 )
SER( 4 A -64 )
LEU( 4 A -63 )
ASP( 4 A -62 )
PHE( 4 A -61 )
LEU( 4 A -60 )
ASP( 4 A -59 )
ILE( 4 A -58 )
ALA( 4 A -57 )
PHE( 4 A -56 )
ALA( 4 A -55 )
ILE( 4 A -54 )
ASP( 4 A -53 )
LYS( 4 A -52 )
ALA( 4 A -51 )
PHE( 4 A -50 )
GLY( 4 A -49 )
ILE( 4 A -48 )
LYS( 4 A -47 )
LEU( 4 A -46 )
PRO( 4 A -45 )
LEU( 4 A -44 )
GLU( 4 A -43 )
LYS( 4 A -42 )
TRP( 4 A -41 )
THR( 4 A -40 )
GLN( 4 A -39 )
GLU( 4 A -38 )
VAL( 4 A -37 )
ASN( 4 A -36 )
ASP( 4 A -35 )
GLY( 4 A -34 )
LYS( 4 A -33 )
ALA( 4 A -32 )
THR( 4 A -31 )
THR( 4 A -30 )
GLU( 4 A -29 )
GLN( 4 A -28 )
TYR( 4 A -27 )
PHE( 4 A -26 )
VAL( 4 A -25 )
LEU( 4 A -24 )
LYS( 4 A -23 )
ASN( 4 A -22 )
LEU( 4 A -21 )
ALA( 4 A -20 )
ALA( 4 A -19 )
ARG( 4 A -18 )
ILE( 4 A -17 )
ASP( 4 A -16 )
GLU( 4 A -15 )
LEU( 4 A -14 )
VAL( 4 A -13 )
ALA( 4 A -12 )
ALA( 4 A -11 )
LYS( 4 A -10 )
GLY( 4 A -9 )
ALA( 4 A -8 )
LEU( 4 A -7 )
GLU( 4 A -6 )
HIS( 4 A -5 )
HIS( 4 A -4 )
HIS( 4 A -3 )
HIS( 4 A -2 )
HIS( 4 A -1 )
HIS( 4 A 0 )
MET( 5 A-100 )
THR( 5 A -99 )
SER( 5 A -98 )
THR( 5 A -97 )
PHE( 5 A -96 )
ASP( 5 A -95 )
ARG( 5 A -94 )
VAL( 5 A -93 )
ALA( 5 A -92 )
THR( 5 A -91 )
ILE( 5 A -90 )
ILE( 5 A -89 )
ALA( 5 A -88 )
GLU( 5 A -87 )
THR( 5 A -86 )
CYS( 5 A -85 )
ASP( 5 A -84 )
ILE( 5 A -83 )
PRO( 5 A -82 )
ARG( 5 A -81 )
GLU( 5 A -80 )
THR( 5 A -79 )
ILE( 5 A -78 )
THR( 5 A -77 )
PRO( 5 A -76 )
GLU( 5 A -75 )
SER( 5 A -74 )
HIS( 5 A -73 )
ALA( 5 A -72 )
ILE( 5 A -71 )
ASP( 5 A -70 )
ASP( 5 A -69 )
LEU( 5 A -68 )
GLY( 5 A -67 )
ILE( 5 A -66 )
ASP( 5 A -65 )
SER( 5 A -64 )
LEU( 5 A -63 )
ASP( 5 A -62 )
PHE( 5 A -61 )
LEU( 5 A -60 )
ASP( 5 A -59 )
ILE( 5 A -58 )
ALA( 5 A -57 )
PHE( 5 A -56 )
ALA( 5 A -55 )
ILE( 5 A -54 )
ASP( 5 A -53 )
LYS( 5 A -52 )
ALA( 5 A -51 )
PHE( 5 A -50 )
GLY( 5 A -49 )
ILE( 5 A -48 )
LYS( 5 A -47 )
LEU( 5 A -46 )
PRO( 5 A -45 )
LEU( 5 A -44 )
GLU( 5 A -43 )
LYS( 5 A -42 )
TRP( 5 A -41 )
THR( 5 A -40 )
GLN( 5 A -39 )
GLU( 5 A -38 )
VAL( 5 A -37 )
ASN( 5 A -36 )
ASP( 5 A -35 )
GLY( 5 A -34 )
LYS( 5 A -33 )
ALA( 5 A -32 )
THR( 5 A -31 )
THR( 5 A -30 )
GLU( 5 A -29 )
GLN( 5 A -28 )
TYR( 5 A -27 )
PHE( 5 A -26 )
VAL( 5 A -25 )
LEU( 5 A -24 )
LYS( 5 A -23 )
ASN( 5 A -22 )
LEU( 5 A -21 )
ALA( 5 A -20 )
ALA( 5 A -19 )
ARG( 5 A -18 )
ILE( 5 A -17 )
ASP( 5 A -16 )
GLU( 5 A -15 )
LEU( 5 A -14 )
VAL( 5 A -13 )
ALA( 5 A -12 )
ALA( 5 A -11 )
LYS( 5 A -10 )
GLY( 5 A -9 )
ALA( 5 A -8 )
LEU( 5 A -7 )
GLU( 5 A -6 )
HIS( 5 A -5 )
HIS( 5 A -4 )
HIS( 5 A -3 )
HIS( 5 A -2 )
HIS( 5 A -1 )
HIS( 5 A 0 )
MET( 6 A-100 )
THR( 6 A -99 )
SER( 6 A -98 )
THR( 6 A -97 )
PHE( 6 A -96 )
ASP( 6 A -95 )
ARG( 6 A -94 )
VAL( 6 A -93 )
ALA( 6 A -92 )
THR( 6 A -91 )
ILE( 6 A -90 )
ILE( 6 A -89 )
ALA( 6 A -88 )
GLU( 6 A -87 )
THR( 6 A -86 )
CYS( 6 A -85 )
ASP( 6 A -84 )
ILE( 6 A -83 )
PRO( 6 A -82 )
ARG( 6 A -81 )
GLU( 6 A -80 )
THR( 6 A -79 )
ILE( 6 A -78 )
THR( 6 A -77 )
PRO( 6 A -76 )
GLU( 6 A -75 )
SER( 6 A -74 )
HIS( 6 A -73 )
ALA( 6 A -72 )
ILE( 6 A -71 )
ASP( 6 A -70 )
ASP( 6 A -69 )
LEU( 6 A -68 )
GLY( 6 A -67 )
ILE( 6 A -66 )
ASP( 6 A -65 )
SER( 6 A -64 )
LEU( 6 A -63 )
ASP( 6 A -62 )
PHE( 6 A -61 )
LEU( 6 A -60 )
ASP( 6 A -59 )
ILE( 6 A -58 )
ALA( 6 A -57 )
PHE( 6 A -56 )
ALA( 6 A -55 )
ILE( 6 A -54 )
ASP( 6 A -53 )
LYS( 6 A -52 )
ALA( 6 A -51 )
PHE( 6 A -50 )
GLY( 6 A -49 )
ILE( 6 A -48 )
LYS( 6 A -47 )
LEU( 6 A -46 )
PRO( 6 A -45 )
LEU( 6 A -44 )
GLU( 6 A -43 )
LYS( 6 A -42 )
TRP( 6 A -41 )
THR( 6 A -40 )
GLN( 6 A -39 )
GLU( 6 A -38 )
VAL( 6 A -37 )
ASN( 6 A -36 )
ASP( 6 A -35 )
GLY( 6 A -34 )
LYS( 6 A -33 )
ALA( 6 A -32 )
THR( 6 A -31 )
THR( 6 A -30 )
GLU( 6 A -29 )
GLN( 6 A -28 )
TYR( 6 A -27 )
PHE( 6 A -26 )
VAL( 6 A -25 )
LEU( 6 A -24 )
LYS( 6 A -23 )
ASN( 6 A -22 )
LEU( 6 A -21 )
ALA( 6 A -20 )
ALA( 6 A -19 )
ARG( 6 A -18 )
ILE( 6 A -17 )
ASP( 6 A -16 )
GLU( 6 A -15 )
LEU( 6 A -14 )
VAL( 6 A -13 )
ALA( 6 A -12 )
ALA( 6 A -11 )
LYS( 6 A -10 )
GLY( 6 A -9 )
ALA( 6 A -8 )
LEU( 6 A -7 )
GLU( 6 A -6 )
HIS( 6 A -5 )
HIS( 6 A -4 )
HIS( 6 A -3 )
HIS( 6 A -2 )
HIS( 6 A -1 )
HIS( 6 A 0 )
MET( 7 A-100 )
THR( 7 A -99 )
SER( 7 A -98 )
THR( 7 A -97 )
PHE( 7 A -96 )
ASP( 7 A -95 )
ARG( 7 A -94 )
VAL( 7 A -93 )
ALA( 7 A -92 )
THR( 7 A -91 )
ILE( 7 A -90 )
ILE( 7 A -89 )
ALA( 7 A -88 )
GLU( 7 A -87 )
THR( 7 A -86 )
CYS( 7 A -85 )
ASP( 7 A -84 )
ILE( 7 A -83 )
PRO( 7 A -82 )
ARG( 7 A -81 )
GLU( 7 A -80 )
THR( 7 A -79 )
ILE( 7 A -78 )
THR( 7 A -77 )
PRO( 7 A -76 )
GLU( 7 A -75 )
SER( 7 A -74 )
HIS( 7 A -73 )
ALA( 7 A -72 )
ILE( 7 A -71 )
ASP( 7 A -70 )
ASP( 7 A -69 )
LEU( 7 A -68 )
GLY( 7 A -67 )
ILE( 7 A -66 )
ASP( 7 A -65 )
SER( 7 A -64 )
LEU( 7 A -63 )
ASP( 7 A -62 )
PHE( 7 A -61 )
LEU( 7 A -60 )
ASP( 7 A -59 )
ILE( 7 A -58 )
ALA( 7 A -57 )
PHE( 7 A -56 )
ALA( 7 A -55 )
ILE( 7 A -54 )
ASP( 7 A -53 )
LYS( 7 A -52 )
ALA( 7 A -51 )
PHE( 7 A -50 )
GLY( 7 A -49 )
ILE( 7 A -48 )
LYS( 7 A -47 )
LEU( 7 A -46 )
PRO( 7 A -45 )
LEU( 7 A -44 )
GLU( 7 A -43 )
LYS( 7 A -42 )
TRP( 7 A -41 )
THR( 7 A -40 )
GLN( 7 A -39 )
GLU( 7 A -38 )
VAL( 7 A -37 )
ASN( 7 A -36 )
ASP( 7 A -35 )
GLY( 7 A -34 )
LYS( 7 A -33 )
ALA( 7 A -32 )
THR( 7 A -31 )
THR( 7 A -30 )
GLU( 7 A -29 )
GLN( 7 A -28 )
TYR( 7 A -27 )
PHE( 7 A -26 )
VAL( 7 A -25 )
LEU( 7 A -24 )
LYS( 7 A -23 )
ASN( 7 A -22 )
LEU( 7 A -21 )
ALA( 7 A -20 )
ALA( 7 A -19 )
ARG( 7 A -18 )
ILE( 7 A -17 )
ASP( 7 A -16 )
GLU( 7 A -15 )
LEU( 7 A -14 )
VAL( 7 A -13 )
ALA( 7 A -12 )
ALA( 7 A -11 )
LYS( 7 A -10 )
GLY( 7 A -9 )
ALA( 7 A -8 )
LEU( 7 A -7 )
GLU( 7 A -6 )
HIS( 7 A -5 )
HIS( 7 A -4 )
HIS( 7 A -3 )
HIS( 7 A -2 )
HIS( 7 A -1 )
HIS( 7 A 0 )
MET( 8 A-100 )
THR( 8 A -99 )
SER( 8 A -98 )
THR( 8 A -97 )
PHE( 8 A -96 )
ASP( 8 A -95 )
ARG( 8 A -94 )
VAL( 8 A -93 )
ALA( 8 A -92 )
THR( 8 A -91 )
ILE( 8 A -90 )
ILE( 8 A -89 )
ALA( 8 A -88 )
GLU( 8 A -87 )
THR( 8 A -86 )
CYS( 8 A -85 )
ASP( 8 A -84 )
ILE( 8 A -83 )
PRO( 8 A -82 )
ARG( 8 A -81 )
GLU( 8 A -80 )
THR( 8 A -79 )
ILE( 8 A -78 )
THR( 8 A -77 )
PRO( 8 A -76 )
GLU( 8 A -75 )
SER( 8 A -74 )
HIS( 8 A -73 )
ALA( 8 A -72 )
ILE( 8 A -71 )
ASP( 8 A -70 )
ASP( 8 A -69 )
LEU( 8 A -68 )
GLY( 8 A -67 )
ILE( 8 A -66 )
ASP( 8 A -65 )
SER( 8 A -64 )
LEU( 8 A -63 )
ASP( 8 A -62 )
PHE( 8 A -61 )
LEU( 8 A -60 )
ASP( 8 A -59 )
ILE( 8 A -58 )
ALA( 8 A -57 )
PHE( 8 A -56 )
ALA( 8 A -55 )
ILE( 8 A -54 )
ASP( 8 A -53 )
LYS( 8 A -52 )
ALA( 8 A -51 )
PHE( 8 A -50 )
GLY( 8 A -49 )
ILE( 8 A -48 )
LYS( 8 A -47 )
LEU( 8 A -46 )
PRO( 8 A -45 )
LEU( 8 A -44 )
GLU( 8 A -43 )
LYS( 8 A -42 )
TRP( 8 A -41 )
THR( 8 A -40 )
GLN( 8 A -39 )
GLU( 8 A -38 )
VAL( 8 A -37 )
ASN( 8 A -36 )
ASP( 8 A -35 )
GLY( 8 A -34 )
LYS( 8 A -33 )
ALA( 8 A -32 )
THR( 8 A -31 )
THR( 8 A -30 )
GLU( 8 A -29 )
GLN( 8 A -28 )
TYR( 8 A -27 )
PHE( 8 A -26 )
VAL( 8 A -25 )
LEU( 8 A -24 )
LYS( 8 A -23 )
ASN( 8 A -22 )
LEU( 8 A -21 )
ALA( 8 A -20 )
ALA( 8 A -19 )
ARG( 8 A -18 )
ILE( 8 A -17 )
ASP( 8 A -16 )
GLU( 8 A -15 )
LEU( 8 A -14 )
VAL( 8 A -13 )
ALA( 8 A -12 )
ALA( 8 A -11 )
LYS( 8 A -10 )
GLY( 8 A -9 )
ALA( 8 A -8 )
LEU( 8 A -7 )
GLU( 8 A -6 )
HIS( 8 A -5 )
HIS( 8 A -4 )
HIS( 8 A -3 )
HIS( 8 A -2 )
HIS( 8 A -1 )
HIS( 8 A 0 )
MET( 9 A-100 )
THR( 9 A -99 )
SER( 9 A -98 )
THR( 9 A -97 )
PHE( 9 A -96 )
ASP( 9 A -95 )
ARG( 9 A -94 )
VAL( 9 A -93 )
ALA( 9 A -92 )
THR( 9 A -91 )
ILE( 9 A -90 )
ILE( 9 A -89 )
ALA( 9 A -88 )
GLU( 9 A -87 )
THR( 9 A -86 )
CYS( 9 A -85 )
ASP( 9 A -84 )
ILE( 9 A -83 )
PRO( 9 A -82 )
ARG( 9 A -81 )
GLU( 9 A -80 )
THR( 9 A -79 )
ILE( 9 A -78 )
THR( 9 A -77 )
PRO( 9 A -76 )
GLU( 9 A -75 )
SER( 9 A -74 )
HIS( 9 A -73 )
ALA( 9 A -72 )
ILE( 9 A -71 )
ASP( 9 A -70 )
ASP( 9 A -69 )
LEU( 9 A -68 )
GLY( 9 A -67 )
ILE( 9 A -66 )
ASP( 9 A -65 )
SER( 9 A -64 )
LEU( 9 A -63 )
ASP( 9 A -62 )
PHE( 9 A -61 )
LEU( 9 A -60 )
ASP( 9 A -59 )
ILE( 9 A -58 )
ALA( 9 A -57 )
PHE( 9 A -56 )
ALA( 9 A -55 )
ILE( 9 A -54 )
ASP( 9 A -53 )
LYS( 9 A -52 )
ALA( 9 A -51 )
PHE( 9 A -50 )
GLY( 9 A -49 )
ILE( 9 A -48 )
LYS( 9 A -47 )
LEU( 9 A -46 )
PRO( 9 A -45 )
LEU( 9 A -44 )
GLU( 9 A -43 )
LYS( 9 A -42 )
TRP( 9 A -41 )
THR( 9 A -40 )
GLN( 9 A -39 )
GLU( 9 A -38 )
VAL( 9 A -37 )
ASN( 9 A -36 )
ASP( 9 A -35 )
GLY( 9 A -34 )
LYS( 9 A -33 )
ALA( 9 A -32 )
THR( 9 A -31 )
THR( 9 A -30 )
GLU( 9 A -29 )
GLN( 9 A -28 )
TYR( 9 A -27 )
PHE( 9 A -26 )
VAL( 9 A -25 )
LEU( 9 A -24 )
LYS( 9 A -23 )
ASN( 9 A -22 )
LEU( 9 A -21 )
ALA( 9 A -20 )
ALA( 9 A -19 )
ARG( 9 A -18 )
ILE( 9 A -17 )
ASP( 9 A -16 )
GLU( 9 A -15 )
LEU( 9 A -14 )
VAL( 9 A -13 )
ALA( 9 A -12 )
ALA( 9 A -11 )
LYS( 9 A -10 )
GLY( 9 A -9 )
ALA( 9 A -8 )
LEU( 9 A -7 )
GLU( 9 A -6 )
HIS( 9 A -5 )
HIS( 9 A -4 )
HIS( 9 A -3 )
HIS( 9 A -2 )
HIS( 9 A -1 )
HIS( 9 A 0 )
MET( 10 A-100 )
THR( 10 A -99 )
SER( 10 A -98 )
THR( 10 A -97 )
PHE( 10 A -96 )
ASP( 10 A -95 )
ARG( 10 A -94 )
VAL( 10 A -93 )
ALA( 10 A -92 )
THR( 10 A -91 )
ILE( 10 A -90 )
ILE( 10 A -89 )
ALA( 10 A -88 )
GLU( 10 A -87 )
THR( 10 A -86 )
CYS( 10 A -85 )
ASP( 10 A -84 )
ILE( 10 A -83 )
PRO( 10 A -82 )
ARG( 10 A -81 )
GLU( 10 A -80 )
THR( 10 A -79 )
ILE( 10 A -78 )
THR( 10 A -77 )
PRO( 10 A -76 )
GLU( 10 A -75 )
SER( 10 A -74 )
HIS( 10 A -73 )
ALA( 10 A -72 )
ILE( 10 A -71 )
ASP( 10 A -70 )
ASP( 10 A -69 )
LEU( 10 A -68 )
GLY( 10 A -67 )
ILE( 10 A -66 )
ASP( 10 A -65 )
SER( 10 A -64 )
LEU( 10 A -63 )
ASP( 10 A -62 )
PHE( 10 A -61 )
LEU( 10 A -60 )
ASP( 10 A -59 )
ILE( 10 A -58 )
ALA( 10 A -57 )
PHE( 10 A -56 )
ALA( 10 A -55 )
ILE( 10 A -54 )
ASP( 10 A -53 )
LYS( 10 A -52 )
ALA( 10 A -51 )
PHE( 10 A -50 )
GLY( 10 A -49 )
ILE( 10 A -48 )
LYS( 10 A -47 )
LEU( 10 A -46 )
PRO( 10 A -45 )
LEU( 10 A -44 )
GLU( 10 A -43 )
LYS( 10 A -42 )
TRP( 10 A -41 )
THR( 10 A -40 )
GLN( 10 A -39 )
GLU( 10 A -38 )
VAL( 10 A -37 )
ASN( 10 A -36 )
ASP( 10 A -35 )
GLY( 10 A -34 )
LYS( 10 A -33 )
ALA( 10 A -32 )
THR( 10 A -31 )
THR( 10 A -30 )
GLU( 10 A -29 )
GLN( 10 A -28 )
TYR( 10 A -27 )
PHE( 10 A -26 )
VAL( 10 A -25 )
LEU( 10 A -24 )
LYS( 10 A -23 )
ASN( 10 A -22 )
LEU( 10 A -21 )
ALA( 10 A -20 )
ALA( 10 A -19 )
ARG( 10 A -18 )
ILE( 10 A -17 )
ASP( 10 A -16 )
GLU( 10 A -15 )
LEU( 10 A -14 )
VAL( 10 A -13 )
ALA( 10 A -12 )
ALA( 10 A -11 )
LYS( 10 A -10 )
GLY( 10 A -9 )
ALA( 10 A -8 )
LEU( 10 A -7 )
GLU( 10 A -6 )
HIS( 10 A -5 )
HIS( 10 A -4 )
HIS( 10 A -3 )
HIS( 10 A -2 )
HIS( 10 A -1 )
HIS( 10 A 0 )
MET( 11 A-100 )
THR( 11 A -99 )
SER( 11 A -98 )
THR( 11 A -97 )
PHE( 11 A -96 )
ASP( 11 A -95 )
ARG( 11 A -94 )
VAL( 11 A -93 )
ALA( 11 A -92 )
THR( 11 A -91 )
ILE( 11 A -90 )
ILE( 11 A -89 )
ALA( 11 A -88 )
GLU( 11 A -87 )
THR( 11 A -86 )
CYS( 11 A -85 )
ASP( 11 A -84 )
ILE( 11 A -83 )
PRO( 11 A -82 )
ARG( 11 A -81 )
GLU( 11 A -80 )
THR( 11 A -79 )
ILE( 11 A -78 )
THR( 11 A -77 )
PRO( 11 A -76 )
GLU( 11 A -75 )
SER( 11 A -74 )
HIS( 11 A -73 )
ALA( 11 A -72 )
ILE( 11 A -71 )
ASP( 11 A -70 )
ASP( 11 A -69 )
LEU( 11 A -68 )
GLY( 11 A -67 )
ILE( 11 A -66 )
ASP( 11 A -65 )
SER( 11 A -64 )
LEU( 11 A -63 )
ASP( 11 A -62 )
PHE( 11 A -61 )
LEU( 11 A -60 )
ASP( 11 A -59 )
ILE( 11 A -58 )
ALA( 11 A -57 )
PHE( 11 A -56 )
ALA( 11 A -55 )
ILE( 11 A -54 )
ASP( 11 A -53 )
LYS( 11 A -52 )
ALA( 11 A -51 )
PHE( 11 A -50 )
GLY( 11 A -49 )
ILE( 11 A -48 )
LYS( 11 A -47 )
LEU( 11 A -46 )
PRO( 11 A -45 )
LEU( 11 A -44 )
GLU( 11 A -43 )
LYS( 11 A -42 )
TRP( 11 A -41 )
THR( 11 A -40 )
GLN( 11 A -39 )
GLU( 11 A -38 )
VAL( 11 A -37 )
ASN( 11 A -36 )
ASP( 11 A -35 )
GLY( 11 A -34 )
LYS( 11 A -33 )
ALA( 11 A -32 )
THR( 11 A -31 )
THR( 11 A -30 )
GLU( 11 A -29 )
GLN( 11 A -28 )
TYR( 11 A -27 )
PHE( 11 A -26 )
VAL( 11 A -25 )
LEU( 11 A -24 )
LYS( 11 A -23 )
ASN( 11 A -22 )
LEU( 11 A -21 )
ALA( 11 A -20 )
ALA( 11 A -19 )
ARG( 11 A -18 )
ILE( 11 A -17 )
ASP( 11 A -16 )
GLU( 11 A -15 )
LEU( 11 A -14 )
VAL( 11 A -13 )
ALA( 11 A -12 )
ALA( 11 A -11 )
LYS( 11 A -10 )
GLY( 11 A -9 )
ALA( 11 A -8 )
LEU( 11 A -7 )
GLU( 11 A -6 )
HIS( 11 A -5 )
HIS( 11 A -4 )
HIS( 11 A -3 )
HIS( 11 A -2 )
HIS( 11 A -1 )
HIS( 11 A 0 )
MET( 12 A-100 )
THR( 12 A -99 )
SER( 12 A -98 )
THR( 12 A -97 )
PHE( 12 A -96 )
ASP( 12 A -95 )
ARG( 12 A -94 )
VAL( 12 A -93 )
ALA( 12 A -92 )
THR( 12 A -91 )
ILE( 12 A -90 )
ILE( 12 A -89 )
ALA( 12 A -88 )
GLU( 12 A -87 )
THR( 12 A -86 )
CYS( 12 A -85 )
ASP( 12 A -84 )
ILE( 12 A -83 )
PRO( 12 A -82 )
ARG( 12 A -81 )
GLU( 12 A -80 )
THR( 12 A -79 )
ILE( 12 A -78 )
THR( 12 A -77 )
PRO( 12 A -76 )
GLU( 12 A -75 )
SER( 12 A -74 )
HIS( 12 A -73 )
ALA( 12 A -72 )
ILE( 12 A -71 )
ASP( 12 A -70 )
ASP( 12 A -69 )
LEU( 12 A -68 )
GLY( 12 A -67 )
ILE( 12 A -66 )
ASP( 12 A -65 )
SER( 12 A -64 )
LEU( 12 A -63 )
ASP( 12 A -62 )
PHE( 12 A -61 )
LEU( 12 A -60 )
ASP( 12 A -59 )
ILE( 12 A -58 )
ALA( 12 A -57 )
PHE( 12 A -56 )
ALA( 12 A -55 )
ILE( 12 A -54 )
ASP( 12 A -53 )
LYS( 12 A -52 )
ALA( 12 A -51 )
PHE( 12 A -50 )
GLY( 12 A -49 )
ILE( 12 A -48 )
LYS( 12 A -47 )
LEU( 12 A -46 )
PRO( 12 A -45 )
LEU( 12 A -44 )
GLU( 12 A -43 )
LYS( 12 A -42 )
TRP( 12 A -41 )
THR( 12 A -40 )
GLN( 12 A -39 )
GLU( 12 A -38 )
VAL( 12 A -37 )
ASN( 12 A -36 )
ASP( 12 A -35 )
GLY( 12 A -34 )
LYS( 12 A -33 )
ALA( 12 A -32 )
THR( 12 A -31 )
THR( 12 A -30 )
GLU( 12 A -29 )
GLN( 12 A -28 )
TYR( 12 A -27 )
PHE( 12 A -26 )
VAL( 12 A -25 )
LEU( 12 A -24 )
LYS( 12 A -23 )
ASN( 12 A -22 )
LEU( 12 A -21 )
ALA( 12 A -20 )
ALA( 12 A -19 )
ARG( 12 A -18 )
ILE( 12 A -17 )
ASP( 12 A -16 )
GLU( 12 A -15 )
LEU( 12 A -14 )
VAL( 12 A -13 )
ALA( 12 A -12 )
ALA( 12 A -11 )
LYS( 12 A -10 )
GLY( 12 A -9 )
ALA( 12 A -8 )
LEU( 12 A -7 )
GLU( 12 A -6 )
HIS( 12 A -5 )
HIS( 12 A -4 )
HIS( 12 A -3 )
HIS( 12 A -2 )
HIS( 12 A -1 )
HIS( 12 A 0 )
MET( 13 A-100 )
THR( 13 A -99 )
SER( 13 A -98 )
THR( 13 A -97 )
PHE( 13 A -96 )
ASP( 13 A -95 )
ARG( 13 A -94 )
VAL( 13 A -93 )
ALA( 13 A -92 )
THR( 13 A -91 )
ILE( 13 A -90 )
ILE( 13 A -89 )
ALA( 13 A -88 )
GLU( 13 A -87 )
THR( 13 A -86 )
CYS( 13 A -85 )
ASP( 13 A -84 )
ILE( 13 A -83 )
PRO( 13 A -82 )
ARG( 13 A -81 )
GLU( 13 A -80 )
THR( 13 A -79 )
ILE( 13 A -78 )
THR( 13 A -77 )
PRO( 13 A -76 )
GLU( 13 A -75 )
SER( 13 A -74 )
HIS( 13 A -73 )
ALA( 13 A -72 )
ILE( 13 A -71 )
ASP( 13 A -70 )
ASP( 13 A -69 )
LEU( 13 A -68 )
GLY( 13 A -67 )
ILE( 13 A -66 )
ASP( 13 A -65 )
SER( 13 A -64 )
LEU( 13 A -63 )
ASP( 13 A -62 )
PHE( 13 A -61 )
LEU( 13 A -60 )
ASP( 13 A -59 )
ILE( 13 A -58 )
ALA( 13 A -57 )
PHE( 13 A -56 )
ALA( 13 A -55 )
ILE( 13 A -54 )
ASP( 13 A -53 )
LYS( 13 A -52 )
ALA( 13 A -51 )
PHE( 13 A -50 )
GLY( 13 A -49 )
ILE( 13 A -48 )
LYS( 13 A -47 )
LEU( 13 A -46 )
PRO( 13 A -45 )
LEU( 13 A -44 )
GLU( 13 A -43 )
LYS( 13 A -42 )
TRP( 13 A -41 )
THR( 13 A -40 )
GLN( 13 A -39 )
GLU( 13 A -38 )
VAL( 13 A -37 )
ASN( 13 A -36 )
ASP( 13 A -35 )
GLY( 13 A -34 )
LYS( 13 A -33 )
ALA( 13 A -32 )
THR( 13 A -31 )
THR( 13 A -30 )
GLU( 13 A -29 )
GLN( 13 A -28 )
TYR( 13 A -27 )
PHE( 13 A -26 )
VAL( 13 A -25 )
LEU( 13 A -24 )
LYS( 13 A -23 )
ASN( 13 A -22 )
LEU( 13 A -21 )
ALA( 13 A -20 )
ALA( 13 A -19 )
ARG( 13 A -18 )
ILE( 13 A -17 )
ASP( 13 A -16 )
GLU( 13 A -15 )
LEU( 13 A -14 )
VAL( 13 A -13 )
ALA( 13 A -12 )
ALA( 13 A -11 )
LYS( 13 A -10 )
GLY( 13 A -9 )
ALA( 13 A -8 )
LEU( 13 A -7 )
GLU( 13 A -6 )
HIS( 13 A -5 )
HIS( 13 A -4 )
HIS( 13 A -3 )
HIS( 13 A -2 )
HIS( 13 A -1 )
HIS( 13 A 0 )
MET( 14 A-100 )
THR( 14 A -99 )
SER( 14 A -98 )
THR( 14 A -97 )
PHE( 14 A -96 )
ASP( 14 A -95 )
ARG( 14 A -94 )
VAL( 14 A -93 )
ALA( 14 A -92 )
THR( 14 A -91 )
ILE( 14 A -90 )
ILE( 14 A -89 )
ALA( 14 A -88 )
GLU( 14 A -87 )
THR( 14 A -86 )
CYS( 14 A -85 )
ASP( 14 A -84 )
ILE( 14 A -83 )
PRO( 14 A -82 )
ARG( 14 A -81 )
GLU( 14 A -80 )
THR( 14 A -79 )
ILE( 14 A -78 )
THR( 14 A -77 )
PRO( 14 A -76 )
GLU( 14 A -75 )
SER( 14 A -74 )
HIS( 14 A -73 )
ALA( 14 A -72 )
ILE( 14 A -71 )
ASP( 14 A -70 )
ASP( 14 A -69 )
LEU( 14 A -68 )
GLY( 14 A -67 )
ILE( 14 A -66 )
ASP( 14 A -65 )
SER( 14 A -64 )
LEU( 14 A -63 )
ASP( 14 A -62 )
PHE( 14 A -61 )
LEU( 14 A -60 )
ASP( 14 A -59 )
ILE( 14 A -58 )
ALA( 14 A -57 )
PHE( 14 A -56 )
ALA( 14 A -55 )
ILE( 14 A -54 )
ASP( 14 A -53 )
LYS( 14 A -52 )
ALA( 14 A -51 )
PHE( 14 A -50 )
GLY( 14 A -49 )
ILE( 14 A -48 )
LYS( 14 A -47 )
LEU( 14 A -46 )
PRO( 14 A -45 )
LEU( 14 A -44 )
GLU( 14 A -43 )
LYS( 14 A -42 )
TRP( 14 A -41 )
THR( 14 A -40 )
GLN( 14 A -39 )
GLU( 14 A -38 )
VAL( 14 A -37 )
ASN( 14 A -36 )
ASP( 14 A -35 )
GLY( 14 A -34 )
LYS( 14 A -33 )
ALA( 14 A -32 )
THR( 14 A -31 )
THR( 14 A -30 )
GLU( 14 A -29 )
GLN( 14 A -28 )
TYR( 14 A -27 )
PHE( 14 A -26 )
VAL( 14 A -25 )
LEU( 14 A -24 )
LYS( 14 A -23 )
ASN( 14 A -22 )
LEU( 14 A -21 )
ALA( 14 A -20 )
ALA( 14 A -19 )
ARG( 14 A -18 )
ILE( 14 A -17 )
ASP( 14 A -16 )
GLU( 14 A -15 )
LEU( 14 A -14 )
VAL( 14 A -13 )
ALA( 14 A -12 )
ALA( 14 A -11 )
LYS( 14 A -10 )
GLY( 14 A -9 )
ALA( 14 A -8 )
LEU( 14 A -7 )
GLU( 14 A -6 )
HIS( 14 A -5 )
HIS( 14 A -4 )
HIS( 14 A -3 )
HIS( 14 A -2 )
HIS( 14 A -1 )
HIS( 14 A 0 )
MET( 15 A-100 )
THR( 15 A -99 )
SER( 15 A -98 )
THR( 15 A -97 )
PHE( 15 A -96 )
ASP( 15 A -95 )
ARG( 15 A -94 )
VAL( 15 A -93 )
ALA( 15 A -92 )
THR( 15 A -91 )
ILE( 15 A -90 )
ILE( 15 A -89 )
ALA( 15 A -88 )
GLU( 15 A -87 )
THR( 15 A -86 )
CYS( 15 A -85 )
ASP( 15 A -84 )
ILE( 15 A -83 )
PRO( 15 A -82 )
ARG( 15 A -81 )
GLU( 15 A -80 )
THR( 15 A -79 )
ILE( 15 A -78 )
THR( 15 A -77 )
PRO( 15 A -76 )
GLU( 15 A -75 )
SER( 15 A -74 )
HIS( 15 A -73 )
ALA( 15 A -72 )
ILE( 15 A -71 )
ASP( 15 A -70 )
ASP( 15 A -69 )
LEU( 15 A -68 )
GLY( 15 A -67 )
ILE( 15 A -66 )
ASP( 15 A -65 )
SER( 15 A -64 )
LEU( 15 A -63 )
ASP( 15 A -62 )
PHE( 15 A -61 )
LEU( 15 A -60 )
ASP( 15 A -59 )
ILE( 15 A -58 )
ALA( 15 A -57 )
PHE( 15 A -56 )
ALA( 15 A -55 )
ILE( 15 A -54 )
ASP( 15 A -53 )
LYS( 15 A -52 )
ALA( 15 A -51 )
PHE( 15 A -50 )
GLY( 15 A -49 )
ILE( 15 A -48 )
LYS( 15 A -47 )
LEU( 15 A -46 )
PRO( 15 A -45 )
LEU( 15 A -44 )
GLU( 15 A -43 )
LYS( 15 A -42 )
TRP( 15 A -41 )
THR( 15 A -40 )
GLN( 15 A -39 )
GLU( 15 A -38 )
VAL( 15 A -37 )
ASN( 15 A -36 )
ASP( 15 A -35 )
GLY( 15 A -34 )
LYS( 15 A -33 )
ALA( 15 A -32 )
THR( 15 A -31 )
THR( 15 A -30 )
GLU( 15 A -29 )
GLN( 15 A -28 )
TYR( 15 A -27 )
PHE( 15 A -26 )
VAL( 15 A -25 )
LEU( 15 A -24 )
LYS( 15 A -23 )
ASN( 15 A -22 )
LEU( 15 A -21 )
ALA( 15 A -20 )
ALA( 15 A -19 )
ARG( 15 A -18 )
ILE( 15 A -17 )
ASP( 15 A -16 )
GLU( 15 A -15 )
LEU( 15 A -14 )
VAL( 15 A -13 )
ALA( 15 A -12 )
ALA( 15 A -11 )
LYS( 15 A -10 )
GLY( 15 A -9 )
ALA( 15 A -8 )
LEU( 15 A -7 )
GLU( 15 A -6 )
HIS( 15 A -5 )
HIS( 15 A -4 )
HIS( 15 A -3 )
HIS( 15 A -2 )
HIS( 15 A -1 )
HIS( 15 A 0 )
MET( 16 A-100 )
THR( 16 A -99 )
SER( 16 A -98 )
THR( 16 A -97 )
PHE( 16 A -96 )
ASP( 16 A -95 )
ARG( 16 A -94 )
VAL( 16 A -93 )
ALA( 16 A -92 )
THR( 16 A -91 )
ILE( 16 A -90 )
ILE( 16 A -89 )
ALA( 16 A -88 )
GLU( 16 A -87 )
THR( 16 A -86 )
CYS( 16 A -85 )
ASP( 16 A -84 )
ILE( 16 A -83 )
PRO( 16 A -82 )
ARG( 16 A -81 )
GLU( 16 A -80 )
THR( 16 A -79 )
ILE( 16 A -78 )
THR( 16 A -77 )
PRO( 16 A -76 )
GLU( 16 A -75 )
SER( 16 A -74 )
HIS( 16 A -73 )
ALA( 16 A -72 )
ILE( 16 A -71 )
ASP( 16 A -70 )
ASP( 16 A -69 )
LEU( 16 A -68 )
GLY( 16 A -67 )
ILE( 16 A -66 )
ASP( 16 A -65 )
SER( 16 A -64 )
LEU( 16 A -63 )
ASP( 16 A -62 )
PHE( 16 A -61 )
LEU( 16 A -60 )
ASP( 16 A -59 )
ILE( 16 A -58 )
ALA( 16 A -57 )
PHE( 16 A -56 )
ALA( 16 A -55 )
ILE( 16 A -54 )
ASP( 16 A -53 )
LYS( 16 A -52 )
ALA( 16 A -51 )
PHE( 16 A -50 )
GLY( 16 A -49 )
ILE( 16 A -48 )
LYS( 16 A -47 )
LEU( 16 A -46 )
PRO( 16 A -45 )
LEU( 16 A -44 )
GLU( 16 A -43 )
LYS( 16 A -42 )
TRP( 16 A -41 )
THR( 16 A -40 )
GLN( 16 A -39 )
GLU( 16 A -38 )
VAL( 16 A -37 )
ASN( 16 A -36 )
ASP( 16 A -35 )
GLY( 16 A -34 )
LYS( 16 A -33 )
ALA( 16 A -32 )
THR( 16 A -31 )
THR( 16 A -30 )
GLU( 16 A -29 )
GLN( 16 A -28 )
TYR( 16 A -27 )
PHE( 16 A -26 )
VAL( 16 A -25 )
LEU( 16 A -24 )
LYS( 16 A -23 )
ASN( 16 A -22 )
LEU( 16 A -21 )
ALA( 16 A -20 )
ALA( 16 A -19 )
ARG( 16 A -18 )
ILE( 16 A -17 )
ASP( 16 A -16 )
GLU( 16 A -15 )
LEU( 16 A -14 )
VAL( 16 A -13 )
ALA( 16 A -12 )
ALA( 16 A -11 )
LYS( 16 A -10 )
GLY( 16 A -9 )
ALA( 16 A -8 )
LEU( 16 A -7 )
GLU( 16 A -6 )
HIS( 16 A -5 )
HIS( 16 A -4 )
HIS( 16 A -3 )
HIS( 16 A -2 )
HIS( 16 A -1 )
HIS( 16 A 0 )
MET( 17 A-100 )
THR( 17 A -99 )
SER( 17 A -98 )
THR( 17 A -97 )
PHE( 17 A -96 )
ASP( 17 A -95 )
ARG( 17 A -94 )
VAL( 17 A -93 )
ALA( 17 A -92 )
THR( 17 A -91 )
ILE( 17 A -90 )
ILE( 17 A -89 )
ALA( 17 A -88 )
GLU( 17 A -87 )
THR( 17 A -86 )
CYS( 17 A -85 )
ASP( 17 A -84 )
ILE( 17 A -83 )
PRO( 17 A -82 )
ARG( 17 A -81 )
GLU( 17 A -80 )
THR( 17 A -79 )
ILE( 17 A -78 )
THR( 17 A -77 )
PRO( 17 A -76 )
GLU( 17 A -75 )
SER( 17 A -74 )
HIS( 17 A -73 )
ALA( 17 A -72 )
ILE( 17 A -71 )
ASP( 17 A -70 )
ASP( 17 A -69 )
LEU( 17 A -68 )
GLY( 17 A -67 )
ILE( 17 A -66 )
ASP( 17 A -65 )
SER( 17 A -64 )
LEU( 17 A -63 )
ASP( 17 A -62 )
PHE( 17 A -61 )
LEU( 17 A -60 )
ASP( 17 A -59 )
ILE( 17 A -58 )
ALA( 17 A -57 )
PHE( 17 A -56 )
ALA( 17 A -55 )
ILE( 17 A -54 )
ASP( 17 A -53 )
LYS( 17 A -52 )
ALA( 17 A -51 )
PHE( 17 A -50 )
GLY( 17 A -49 )
ILE( 17 A -48 )
LYS( 17 A -47 )
LEU( 17 A -46 )
PRO( 17 A -45 )
LEU( 17 A -44 )
GLU( 17 A -43 )
LYS( 17 A -42 )
TRP( 17 A -41 )
THR( 17 A -40 )
GLN( 17 A -39 )
GLU( 17 A -38 )
VAL( 17 A -37 )
ASN( 17 A -36 )
ASP( 17 A -35 )
GLY( 17 A -34 )
LYS( 17 A -33 )
ALA( 17 A -32 )
THR( 17 A -31 )
THR( 17 A -30 )
GLU( 17 A -29 )
GLN( 17 A -28 )
TYR( 17 A -27 )
PHE( 17 A -26 )
VAL( 17 A -25 )
LEU( 17 A -24 )
LYS( 17 A -23 )
ASN( 17 A -22 )
LEU( 17 A -21 )
ALA( 17 A -20 )
ALA( 17 A -19 )
ARG( 17 A -18 )
ILE( 17 A -17 )
ASP( 17 A -16 )
GLU( 17 A -15 )
LEU( 17 A -14 )
VAL( 17 A -13 )
ALA( 17 A -12 )
ALA( 17 A -11 )
LYS( 17 A -10 )
GLY( 17 A -9 )
ALA( 17 A -8 )
LEU( 17 A -7 )
GLU( 17 A -6 )
HIS( 17 A -5 )
HIS( 17 A -4 )
HIS( 17 A -3 )
HIS( 17 A -2 )
HIS( 17 A -1 )
HIS( 17 A 0 )
MET( 18 A-100 )
THR( 18 A -99 )
SER( 18 A -98 )
THR( 18 A -97 )
PHE( 18 A -96 )
ASP( 18 A -95 )
ARG( 18 A -94 )
VAL( 18 A -93 )
ALA( 18 A -92 )
THR( 18 A -91 )
ILE( 18 A -90 )
ILE( 18 A -89 )
ALA( 18 A -88 )
GLU( 18 A -87 )
THR( 18 A -86 )
CYS( 18 A -85 )
ASP( 18 A -84 )
ILE( 18 A -83 )
PRO( 18 A -82 )
ARG( 18 A -81 )
GLU( 18 A -80 )
THR( 18 A -79 )
ILE( 18 A -78 )
THR( 18 A -77 )
PRO( 18 A -76 )
GLU( 18 A -75 )
SER( 18 A -74 )
HIS( 18 A -73 )
ALA( 18 A -72 )
ILE( 18 A -71 )
ASP( 18 A -70 )
ASP( 18 A -69 )
LEU( 18 A -68 )
GLY( 18 A -67 )
ILE( 18 A -66 )
ASP( 18 A -65 )
SER( 18 A -64 )
LEU( 18 A -63 )
ASP( 18 A -62 )
PHE( 18 A -61 )
LEU( 18 A -60 )
ASP( 18 A -59 )
ILE( 18 A -58 )
ALA( 18 A -57 )
PHE( 18 A -56 )
ALA( 18 A -55 )
ILE( 18 A -54 )
ASP( 18 A -53 )
LYS( 18 A -52 )
ALA( 18 A -51 )
PHE( 18 A -50 )
GLY( 18 A -49 )
ILE( 18 A -48 )
LYS( 18 A -47 )
LEU( 18 A -46 )
PRO( 18 A -45 )
LEU( 18 A -44 )
GLU( 18 A -43 )
LYS( 18 A -42 )
TRP( 18 A -41 )
THR( 18 A -40 )
GLN( 18 A -39 )
GLU( 18 A -38 )
VAL( 18 A -37 )
ASN( 18 A -36 )
ASP( 18 A -35 )
GLY( 18 A -34 )
LYS( 18 A -33 )
ALA( 18 A -32 )
THR( 18 A -31 )
THR( 18 A -30 )
GLU( 18 A -29 )
GLN( 18 A -28 )
TYR( 18 A -27 )
PHE( 18 A -26 )
VAL( 18 A -25 )
LEU( 18 A -24 )
LYS( 18 A -23 )
ASN( 18 A -22 )
LEU( 18 A -21 )
ALA( 18 A -20 )
ALA( 18 A -19 )
ARG( 18 A -18 )
ILE( 18 A -17 )
ASP( 18 A -16 )
GLU( 18 A -15 )
LEU( 18 A -14 )
VAL( 18 A -13 )
ALA( 18 A -12 )
ALA( 18 A -11 )
LYS( 18 A -10 )
GLY( 18 A -9 )
ALA( 18 A -8 )
LEU( 18 A -7 )
GLU( 18 A -6 )
HIS( 18 A -5 )
HIS( 18 A -4 )
HIS( 18 A -3 )
HIS( 18 A -2 )
HIS( 18 A -1 )
HIS( 18 A 0 )
MET( 19 A-100 )
THR( 19 A -99 )
SER( 19 A -98 )
THR( 19 A -97 )
PHE( 19 A -96 )
ASP( 19 A -95 )
ARG( 19 A -94 )
VAL( 19 A -93 )
ALA( 19 A -92 )
THR( 19 A -91 )
ILE( 19 A -90 )
ILE( 19 A -89 )
ALA( 19 A -88 )
GLU( 19 A -87 )
THR( 19 A -86 )
CYS( 19 A -85 )
ASP( 19 A -84 )
ILE( 19 A -83 )
PRO( 19 A -82 )
ARG( 19 A -81 )
GLU( 19 A -80 )
THR( 19 A -79 )
ILE( 19 A -78 )
THR( 19 A -77 )
PRO( 19 A -76 )
GLU( 19 A -75 )
SER( 19 A -74 )
HIS( 19 A -73 )
ALA( 19 A -72 )
ILE( 19 A -71 )
ASP( 19 A -70 )
ASP( 19 A -69 )
LEU( 19 A -68 )
GLY( 19 A -67 )
ILE( 19 A -66 )
ASP( 19 A -65 )
SER( 19 A -64 )
LEU( 19 A -63 )
ASP( 19 A -62 )
PHE( 19 A -61 )
LEU( 19 A -60 )
ASP( 19 A -59 )
ILE( 19 A -58 )
ALA( 19 A -57 )
PHE( 19 A -56 )
ALA( 19 A -55 )
ILE( 19 A -54 )
ASP( 19 A -53 )
LYS( 19 A -52 )
ALA( 19 A -51 )
PHE( 19 A -50 )
GLY( 19 A -49 )
ILE( 19 A -48 )
LYS( 19 A -47 )
LEU( 19 A -46 )
PRO( 19 A -45 )
LEU( 19 A -44 )
GLU( 19 A -43 )
LYS( 19 A -42 )
TRP( 19 A -41 )
THR( 19 A -40 )
GLN( 19 A -39 )
GLU( 19 A -38 )
VAL( 19 A -37 )
ASN( 19 A -36 )
ASP( 19 A -35 )
GLY( 19 A -34 )
LYS( 19 A -33 )
ALA( 19 A -32 )
THR( 19 A -31 )
THR( 19 A -30 )
GLU( 19 A -29 )
GLN( 19 A -28 )
TYR( 19 A -27 )
PHE( 19 A -26 )
VAL( 19 A -25 )
LEU( 19 A -24 )
LYS( 19 A -23 )
ASN( 19 A -22 )
LEU( 19 A -21 )
ALA( 19 A -20 )
ALA( 19 A -19 )
ARG( 19 A -18 )
ILE( 19 A -17 )
ASP( 19 A -16 )
GLU( 19 A -15 )
LEU( 19 A -14 )
VAL( 19 A -13 )
ALA( 19 A -12 )
ALA( 19 A -11 )
LYS( 19 A -10 )
GLY( 19 A -9 )
ALA( 19 A -8 )
LEU( 19 A -7 )
GLU( 19 A -6 )
HIS( 19 A -5 )
HIS( 19 A -4 )
HIS( 19 A -3 )
HIS( 19 A -2 )
HIS( 19 A -1 )
HIS( 19 A 0 )
MET( 20 A-100 )
THR( 20 A -99 )
SER( 20 A -98 )
THR( 20 A -97 )
PHE( 20 A -96 )
ASP( 20 A -95 )
ARG( 20 A -94 )
VAL( 20 A -93 )
ALA( 20 A -92 )
THR( 20 A -91 )
ILE( 20 A -90 )
ILE( 20 A -89 )
ALA( 20 A -88 )
GLU( 20 A -87 )
THR( 20 A -86 )
CYS( 20 A -85 )
ASP( 20 A -84 )
ILE( 20 A -83 )
PRO( 20 A -82 )
ARG( 20 A -81 )
GLU( 20 A -80 )
THR( 20 A -79 )
ILE( 20 A -78 )
THR( 20 A -77 )
PRO( 20 A -76 )
GLU( 20 A -75 )
SER( 20 A -74 )
HIS( 20 A -73 )
ALA( 20 A -72 )
ILE( 20 A -71 )
ASP( 20 A -70 )
ASP( 20 A -69 )
LEU( 20 A -68 )
GLY( 20 A -67 )
ILE( 20 A -66 )
ASP( 20 A -65 )
SER( 20 A -64 )
LEU( 20 A -63 )
ASP( 20 A -62 )
PHE( 20 A -61 )
LEU( 20 A -60 )
ASP( 20 A -59 )
ILE( 20 A -58 )
ALA( 20 A -57 )
PHE( 20 A -56 )
ALA( 20 A -55 )
ILE( 20 A -54 )
ASP( 20 A -53 )
LYS( 20 A -52 )
ALA( 20 A -51 )
PHE( 20 A -50 )
GLY( 20 A -49 )
ILE( 20 A -48 )
LYS( 20 A -47 )
LEU( 20 A -46 )
PRO( 20 A -45 )
LEU( 20 A -44 )
GLU( 20 A -43 )
LYS( 20 A -42 )
TRP( 20 A -41 )
THR( 20 A -40 )
GLN( 20 A -39 )
GLU( 20 A -38 )
VAL( 20 A -37 )
ASN( 20 A -36 )
ASP( 20 A -35 )
GLY( 20 A -34 )
LYS( 20 A -33 )
ALA( 20 A -32 )
THR( 20 A -31 )
THR( 20 A -30 )
GLU( 20 A -29 )
GLN( 20 A -28 )
TYR( 20 A -27 )
PHE( 20 A -26 )
VAL( 20 A -25 )
LEU( 20 A -24 )
LYS( 20 A -23 )
ASN( 20 A -22 )
LEU( 20 A -21 )
ALA( 20 A -20 )
ALA( 20 A -19 )
ARG( 20 A -18 )
ILE( 20 A -17 )
ASP( 20 A -16 )
GLU( 20 A -15 )
LEU( 20 A -14 )
VAL( 20 A -13 )
ALA( 20 A -12 )
ALA( 20 A -11 )
LYS( 20 A -10 )
GLY( 20 A -9 )
ALA( 20 A -8 )
LEU( 20 A -7 )
GLU( 20 A -6 )
HIS( 20 A -5 )
HIS( 20 A -4 )
HIS( 20 A -3 )
HIS( 20 A -2 )
HIS( 20 A -1 )
HIS( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET THR SER THR PHE ASP ARG VAL ALA THR ILE ILE ALA GLU THR
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: CYS ASP ILE PRO ARG GLU THR ILE THR PRO GLU SER HIS ALA ILE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: ASP ASP LEU GLY ILE ASP SER LEU ASP PHE LEU ASP ILE ALA PHE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: ALA ILE ASP LYS ALA PHE GLY ILE LYS LEU PRO LEU GLU LYS TRP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: THR GLN GLU VAL ASN ASP GLY LYS ALA THR THR GLU GLN TYR PHE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: VAL LEU LYS ASN LEU ALA ALA ARG ILE ASP GLU LEU VAL ALA ALA
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: LYS GLY ALA LEU GLU HIS HIS HIS HIS HIS HIS MET THR SER THR
COORDS: ... ... ... ... ... ... ... ... ... ... ... MET THR SER THR
1 4
106 120
SEQRES: PHE ASP ARG VAL ALA THR ILE ILE ALA GLU THR CYS ASP ILE PRO
COORDS: PHE ASP ARG VAL ALA THR ILE ILE ALA GLU THR CYS ASP ILE PRO
5 19
121 135
SEQRES: ARG GLU THR ILE THR PRO GLU SER HIS ALA ILE ASP ASP LEU GLY
COORDS: ARG GLU THR ILE THR PRO GLU SER HIS ALA ILE ASP ASP LEU GLY
20 34
136 150
SEQRES: ILE ASP SER LEU ASP PHE LEU ASP ILE ALA PHE ALA ILE ASP LYS
COORDS: ILE ASP SER LEU ASP PHE LEU ASP ILE ALA PHE ALA ILE ASP LYS
35 49
151 165
SEQRES: ALA PHE GLY ILE LYS LEU PRO LEU GLU LYS TRP THR GLN GLU VAL
COORDS: ALA PHE GLY ILE LYS LEU PRO LEU GLU LYS TRP THR GLN GLU VAL
50 64
166 180
SEQRES: ASN ASP GLY LYS ALA THR THR GLU GLN TYR PHE VAL LEU LYS ASN
COORDS: ASN ASP GLY LYS ALA THR THR GLU GLN TYR PHE VAL LEU LYS ASN
65 79
181 195
SEQRES: LEU ALA ALA ARG ILE ASP GLU LEU VAL ALA ALA LYS GLY ALA LEU
COORDS: LEU ALA ALA ARG ILE ASP GLU LEU VAL ALA ALA LYS GLY ALA LEU
80 94
196 202
SEQRES: GLU HIS HIS HIS HIS HIS HIS
COORDS: GLU HIS HIS HIS HIS HIS HIS
95 101
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 6) HD2
GLU( 1 A 14) HE2
ASP( 1 A 17) HD2
GLU( 1 A 21) HE2
GLU( 1 A 26) HE2
HIS( 1 A 28) HD1
ASP( 1 A 31) HD2
ASP( 1 A 32) HD2
ASP( 1 A 36) HD2
ASP( 1 A 39) HD2
ASP( 1 A 42) HD2
ASP( 1 A 48) HD2
GLU( 1 A 58) HE2
GLU( 1 A 63) HE2
ASP( 1 A 66) HD2
GLU( 1 A 72) HE2
ASP( 1 A 85) HD2
GLU( 1 A 86) HE2
GLU( 1 A 95) HE2
ASP( 2 A 6) HD2
GLU( 2 A 14) HE2
ASP( 2 A 17) HD2
GLU( 2 A 21) HE2
GLU( 2 A 26) HE2
HIS( 2 A 28) HD1
ASP( 2 A 31) HD2
ASP( 2 A 32) HD2
ASP( 2 A 36) HD2
ASP( 2 A 39) HD2
ASP( 2 A 42) HD2
ASP( 2 A 48) HD2
GLU( 2 A 58) HE2
GLU( 2 A 63) HE2
ASP( 2 A 66) HD2
GLU( 2 A 72) HE2
ASP( 2 A 85) HD2
GLU( 2 A 86) HE2
GLU( 2 A 95) HE2
ASP( 3 A 6) HD2
GLU( 3 A 14) HE2
ASP( 3 A 17) HD2
GLU( 3 A 21) HE2
GLU( 3 A 26) HE2
HIS( 3 A 28) HD1
ASP( 3 A 31) HD2
ASP( 3 A 32) HD2
ASP( 3 A 36) HD2
ASP( 3 A 39) HD2
ASP( 3 A 42) HD2
ASP( 3 A 48) HD2
GLU( 3 A 58) HE2
GLU( 3 A 63) HE2
ASP( 3 A 66) HD2
GLU( 3 A 72) HE2
ASP( 3 A 85) HD2
GLU( 3 A 86) HE2
GLU( 3 A 95) HE2
ASP( 4 A 6) HD2
GLU( 4 A 14) HE2
ASP( 4 A 17) HD2
GLU( 4 A 21) HE2
GLU( 4 A 26) HE2
HIS( 4 A 28) HD1
ASP( 4 A 31) HD2
ASP( 4 A 32) HD2
ASP( 4 A 36) HD2
ASP( 4 A 39) HD2
ASP( 4 A 42) HD2
ASP( 4 A 48) HD2
GLU( 4 A 58) HE2
GLU( 4 A 63) HE2
ASP( 4 A 66) HD2
GLU( 4 A 72) HE2
ASP( 4 A 85) HD2
GLU( 4 A 86) HE2
GLU( 4 A 95) HE2
ASP( 5 A 6) HD2
GLU( 5 A 14) HE2
ASP( 5 A 17) HD2
GLU( 5 A 21) HE2
GLU( 5 A 26) HE2
HIS( 5 A 28) HD1
ASP( 5 A 31) HD2
ASP( 5 A 32) HD2
ASP( 5 A 36) HD2
ASP( 5 A 39) HD2
ASP( 5 A 42) HD2
ASP( 5 A 48) HD2
GLU( 5 A 58) HE2
GLU( 5 A 63) HE2
ASP( 5 A 66) HD2
GLU( 5 A 72) HE2
ASP( 5 A 85) HD2
GLU( 5 A 86) HE2
GLU( 5 A 95) HE2
ASP( 6 A 6) HD2
GLU( 6 A 14) HE2
ASP( 6 A 17) HD2
GLU( 6 A 21) HE2
GLU( 6 A 26) HE2
HIS( 6 A 28) HD1
ASP( 6 A 31) HD2
ASP( 6 A 32) HD2
ASP( 6 A 36) HD2
ASP( 6 A 39) HD2
ASP( 6 A 42) HD2
ASP( 6 A 48) HD2
GLU( 6 A 58) HE2
GLU( 6 A 63) HE2
ASP( 6 A 66) HD2
GLU( 6 A 72) HE2
ASP( 6 A 85) HD2
GLU( 6 A 86) HE2
GLU( 6 A 95) HE2
ASP( 7 A 6) HD2
GLU( 7 A 14) HE2
ASP( 7 A 17) HD2
GLU( 7 A 21) HE2
GLU( 7 A 26) HE2
HIS( 7 A 28) HD1
ASP( 7 A 31) HD2
ASP( 7 A 32) HD2
ASP( 7 A 36) HD2
ASP( 7 A 39) HD2
ASP( 7 A 42) HD2
ASP( 7 A 48) HD2
GLU( 7 A 58) HE2
GLU( 7 A 63) HE2
ASP( 7 A 66) HD2
GLU( 7 A 72) HE2
ASP( 7 A 85) HD2
GLU( 7 A 86) HE2
GLU( 7 A 95) HE2
ASP( 8 A 6) HD2
GLU( 8 A 14) HE2
ASP( 8 A 17) HD2
GLU( 8 A 21) HE2
GLU( 8 A 26) HE2
HIS( 8 A 28) HD1
ASP( 8 A 31) HD2
ASP( 8 A 32) HD2
ASP( 8 A 36) HD2
ASP( 8 A 39) HD2
ASP( 8 A 42) HD2
ASP( 8 A 48) HD2
GLU( 8 A 58) HE2
GLU( 8 A 63) HE2
ASP( 8 A 66) HD2
GLU( 8 A 72) HE2
ASP( 8 A 85) HD2
GLU( 8 A 86) HE2
GLU( 8 A 95) HE2
ASP( 9 A 6) HD2
GLU( 9 A 14) HE2
ASP( 9 A 17) HD2
GLU( 9 A 21) HE2
GLU( 9 A 26) HE2
HIS( 9 A 28) HD1
ASP( 9 A 31) HD2
ASP( 9 A 32) HD2
ASP( 9 A 36) HD2
ASP( 9 A 39) HD2
ASP( 9 A 42) HD2
ASP( 9 A 48) HD2
GLU( 9 A 58) HE2
GLU( 9 A 63) HE2
ASP( 9 A 66) HD2
GLU( 9 A 72) HE2
ASP( 9 A 85) HD2
GLU( 9 A 86) HE2
GLU( 9 A 95) HE2
ASP( 10 A 6) HD2
GLU( 10 A 14) HE2
ASP( 10 A 17) HD2
GLU( 10 A 21) HE2
GLU( 10 A 26) HE2
HIS( 10 A 28) HD1
ASP( 10 A 31) HD2
ASP( 10 A 32) HD2
ASP( 10 A 36) HD2
ASP( 10 A 39) HD2
ASP( 10 A 42) HD2
ASP( 10 A 48) HD2
GLU( 10 A 58) HE2
GLU( 10 A 63) HE2
ASP( 10 A 66) HD2
GLU( 10 A 72) HE2
ASP( 10 A 85) HD2
GLU( 10 A 86) HE2
GLU( 10 A 95) HE2
ASP( 11 A 6) HD2
GLU( 11 A 14) HE2
ASP( 11 A 17) HD2
GLU( 11 A 21) HE2
GLU( 11 A 26) HE2
HIS( 11 A 28) HD1
ASP( 11 A 31) HD2
ASP( 11 A 32) HD2
ASP( 11 A 36) HD2
ASP( 11 A 39) HD2
ASP( 11 A 42) HD2
ASP( 11 A 48) HD2
GLU( 11 A 58) HE2
GLU( 11 A 63) HE2
ASP( 11 A 66) HD2
GLU( 11 A 72) HE2
ASP( 11 A 85) HD2
GLU( 11 A 86) HE2
GLU( 11 A 95) HE2
ASP( 12 A 6) HD2
GLU( 12 A 14) HE2
ASP( 12 A 17) HD2
GLU( 12 A 21) HE2
GLU( 12 A 26) HE2
HIS( 12 A 28) HD1
ASP( 12 A 31) HD2
ASP( 12 A 32) HD2
ASP( 12 A 36) HD2
ASP( 12 A 39) HD2
ASP( 12 A 42) HD2
ASP( 12 A 48) HD2
GLU( 12 A 58) HE2
GLU( 12 A 63) HE2
ASP( 12 A 66) HD2
GLU( 12 A 72) HE2
ASP( 12 A 85) HD2
GLU( 12 A 86) HE2
GLU( 12 A 95) HE2
ASP( 13 A 6) HD2
GLU( 13 A 14) HE2
ASP( 13 A 17) HD2
GLU( 13 A 21) HE2
GLU( 13 A 26) HE2
HIS( 13 A 28) HD1
ASP( 13 A 31) HD2
ASP( 13 A 32) HD2
ASP( 13 A 36) HD2
ASP( 13 A 39) HD2
ASP( 13 A 42) HD2
ASP( 13 A 48) HD2
GLU( 13 A 58) HE2
GLU( 13 A 63) HE2
ASP( 13 A 66) HD2
GLU( 13 A 72) HE2
ASP( 13 A 85) HD2
GLU( 13 A 86) HE2
GLU( 13 A 95) HE2
ASP( 14 A 6) HD2
GLU( 14 A 14) HE2
ASP( 14 A 17) HD2
GLU( 14 A 21) HE2
GLU( 14 A 26) HE2
HIS( 14 A 28) HD1
ASP( 14 A 31) HD2
ASP( 14 A 32) HD2
ASP( 14 A 36) HD2
ASP( 14 A 39) HD2
ASP( 14 A 42) HD2
ASP( 14 A 48) HD2
GLU( 14 A 58) HE2
GLU( 14 A 63) HE2
ASP( 14 A 66) HD2
GLU( 14 A 72) HE2
ASP( 14 A 85) HD2
GLU( 14 A 86) HE2
GLU( 14 A 95) HE2
ASP( 15 A 6) HD2
GLU( 15 A 14) HE2
ASP( 15 A 17) HD2
GLU( 15 A 21) HE2
GLU( 15 A 26) HE2
HIS( 15 A 28) HD1
ASP( 15 A 31) HD2
ASP( 15 A 32) HD2
ASP( 15 A 36) HD2
ASP( 15 A 39) HD2
ASP( 15 A 42) HD2
ASP( 15 A 48) HD2
GLU( 15 A 58) HE2
GLU( 15 A 63) HE2
ASP( 15 A 66) HD2
GLU( 15 A 72) HE2
ASP( 15 A 85) HD2
GLU( 15 A 86) HE2
GLU( 15 A 95) HE2
ASP( 16 A 6) HD2
GLU( 16 A 14) HE2
ASP( 16 A 17) HD2
GLU( 16 A 21) HE2
GLU( 16 A 26) HE2
HIS( 16 A 28) HD1
ASP( 16 A 31) HD2
ASP( 16 A 32) HD2
ASP( 16 A 36) HD2
ASP( 16 A 39) HD2
ASP( 16 A 42) HD2
ASP( 16 A 48) HD2
GLU( 16 A 58) HE2
GLU( 16 A 63) HE2
ASP( 16 A 66) HD2
GLU( 16 A 72) HE2
ASP( 16 A 85) HD2
GLU( 16 A 86) HE2
GLU( 16 A 95) HE2
ASP( 17 A 6) HD2
GLU( 17 A 14) HE2
ASP( 17 A 17) HD2
GLU( 17 A 21) HE2
GLU( 17 A 26) HE2
HIS( 17 A 28) HD1
ASP( 17 A 31) HD2
ASP( 17 A 32) HD2
ASP( 17 A 36) HD2
ASP( 17 A 39) HD2
ASP( 17 A 42) HD2
ASP( 17 A 48) HD2
GLU( 17 A 58) HE2
GLU( 17 A 63) HE2
ASP( 17 A 66) HD2
GLU( 17 A 72) HE2
ASP( 17 A 85) HD2
GLU( 17 A 86) HE2
GLU( 17 A 95) HE2
ASP( 18 A 6) HD2
GLU( 18 A 14) HE2
ASP( 18 A 17) HD2
GLU( 18 A 21) HE2
GLU( 18 A 26) HE2
HIS( 18 A 28) HD1
ASP( 18 A 31) HD2
ASP( 18 A 32) HD2
ASP( 18 A 36) HD2
ASP( 18 A 39) HD2
ASP( 18 A 42) HD2
ASP( 18 A 48) HD2
GLU( 18 A 58) HE2
GLU( 18 A 63) HE2
ASP( 18 A 66) HD2
GLU( 18 A 72) HE2
ASP( 18 A 85) HD2
GLU( 18 A 86) HE2
GLU( 18 A 95) HE2
ASP( 19 A 6) HD2
GLU( 19 A 14) HE2
ASP( 19 A 17) HD2
GLU( 19 A 21) HE2
GLU( 19 A 26) HE2
HIS( 19 A 28) HD1
ASP( 19 A 31) HD2
ASP( 19 A 32) HD2
ASP( 19 A 36) HD2
ASP( 19 A 39) HD2
ASP( 19 A 42) HD2
ASP( 19 A 48) HD2
GLU( 19 A 58) HE2
GLU( 19 A 63) HE2
ASP( 19 A 66) HD2
GLU( 19 A 72) HE2
ASP( 19 A 85) HD2
GLU( 19 A 86) HE2
GLU( 19 A 95) HE2
ASP( 20 A 6) HD2
GLU( 20 A 14) HE2
ASP( 20 A 17) HD2
GLU( 20 A 21) HE2
GLU( 20 A 26) HE2
HIS( 20 A 28) HD1
ASP( 20 A 31) HD2
ASP( 20 A 32) HD2
ASP( 20 A 36) HD2
ASP( 20 A 39) HD2
ASP( 20 A 42) HD2
ASP( 20 A 48) HD2
GLU( 20 A 58) HE2
GLU( 20 A 63) HE2
ASP( 20 A 66) HD2
GLU( 20 A 72) HE2
ASP( 20 A 85) HD2
GLU( 20 A 86) HE2
GLU( 20 A 95) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 101) O2
HIS( 2 A 101) O2
HIS( 3 A 101) O2
HIS( 4 A 101) O2
HIS( 5 A 101) O2
HIS( 6 A 101) O2
HIS( 7 A 101) O2
HIS( 8 A 101) O2
HIS( 9 A 101) O2
HIS( 10 A 101) O2
HIS( 11 A 101) O2
HIS( 12 A 101) O2
HIS( 13 A 101) O2
HIS( 14 A 101) O2
HIS( 15 A 101) O2
HIS( 16 A 101) O2
HIS( 17 A 101) O2
HIS( 18 A 101) O2
HIS( 19 A 101) O2
HIS( 20 A 101) 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