Detailed results of SRR115C_R3Cons_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 3081
# INTRA-RESIDUE RESTRAINTS (I=J) : 557
# SEQUENTIAL RESTRAINTS (I-J)=1 : 703
# BACKBONE-BACKBONE : 106
# BACKBONE-SIDE CHAIN : 112
# SIDE CHAIN-SIDE CHAIN : 485
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 1017
# BACKBONE-BACKBONE : 276
# BACKBONE-SIDE CHAIN : 266
# SIDE CHAIN-SIDE CHAIN : 475
# LONG RANGE RESTRAINTS (I-J)>=5 : 804
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 3081
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
GLU 1 0 2.5 2.5 0.0 0.0 0.0
ASP 2 3 10.5 9.0 1.5 0.0 0.0
PRO 3 0 15.5 9.5 2.0 4.0 0.0
GLU 4 7 7.5 5.5 0.5 1.5 0.0
ASP 5 1 15.5 7.0 8.5 0.0 0.0
PRO 6 0 17.5 9.0 4.5 4.0 0.0
PHE 7 4 21.5 7.5 12.0 2.0 0.0
THR 8 3 19.5 7.0 8.0 4.5 0.0
ARG 9 16 34.0 9.5 11.0 13.5 0.0
TYR 10 4 38.5 8.5 15.5 14.5 0.0
ALA 11 1 17.0 5.0 12.0 0.0 0.0
LEU 12 10 24.0 6.5 15.0 2.5 0.0
ALA 13 1 34.5 7.5 14.0 13.0 0.0
GLN 14 8 29.0 6.5 14.0 8.5 0.0
GLU 15 5 19.5 7.0 12.5 0.0 0.0
HIS 16 5 40.0 8.0 12.0 20.0 0.0
LEU 17 10 35.0 9.0 12.0 14.0 0.0
LYS 18 15 17.0 10.5 6.5 0.0 0.0
HIS 19 5 15.0 8.5 6.5 0.0 0.0
ASP 20 3 10.5 5.5 5.0 0.0 0.0
ASN 21 6 34.0 7.5 19.0 7.5 0.0
ALA 22 1 23.0 6.5 6.5 10.0 0.0
SER 23 1 16.5 4.5 10.5 1.5 0.0
ARG 24 14 24.0 5.5 16.0 2.5 0.0
ALA 25 1 39.0 5.5 17.0 16.5 0.0
LEU 26 11 43.5 6.0 16.5 21.0 0.0
ALA 27 1 18.0 8.0 9.0 1.0 0.0
LEU 28 12 39.0 8.5 12.5 18.0 0.0
PHE 29 4 56.5 6.5 16.0 34.0 0.0
GLU 30 5 25.0 5.0 13.0 7.0 0.0
GLU 31 4 20.5 7.0 11.5 2.0 0.0
LEU 32 10 47.5 10.5 16.5 20.5 0.0
VAL 33 5 34.5 11.0 12.0 11.5 0.0
GLU 34 4 17.0 11.5 5.5 0.0 0.0
THR 35 2 17.0 8.0 9.0 0.0 0.0
ASP 36 1 18.0 4.0 14.0 0.0 0.0
PRO 37 0 13.0 5.0 4.0 4.0 0.0
ASP 38 0 9.0 5.0 1.5 2.5 0.0
TYR 39 5 34.0 10.0 13.5 10.5 0.0
VAL 40 5 42.0 11.0 7.5 23.5 0.0
GLY 41 0 11.0 4.5 6.5 0.0 0.0
THR 42 5 30.5 4.5 13.5 12.5 0.0
TYR 43 6 46.0 5.0 14.5 26.5 0.0
TYR 44 3 34.0 7.0 9.5 17.5 0.0
HIS 45 7 26.5 10.0 9.0 7.5 0.0
LEU 46 11 54.0 9.0 20.0 25.0 0.0
GLY 47 0 26.0 5.5 11.0 9.5 0.0
LYS 48 25 21.5 5.0 12.5 4.0 0.0
LEU 49 11 53.5 8.0 21.0 24.5 0.0
TYR 50 6 57.5 8.0 17.0 32.5 0.0
GLU 51 5 23.0 6.5 5.5 11.0 0.0
ARG 52 13 21.0 8.5 10.0 2.5 0.0
LEU 53 10 31.0 10.0 17.0 4.0 0.0
ASP 54 3 13.0 9.0 4.0 0.0 0.0
ARG 55 13 31.5 8.5 13.5 9.5 0.0
THR 56 3 29.5 6.5 8.5 14.5 0.0
ASP 57 1 13.5 5.0 8.0 0.5 0.0
ASP 58 2 21.5 5.0 10.0 6.5 0.0
ALA 59 1 35.5 7.0 12.0 16.5 0.0
ILE 60 11 48.0 9.5 18.0 20.5 0.0
ASP 61 2 15.0 7.0 8.0 0.0 0.0
THR 62 3 31.0 5.0 10.5 15.5 0.0
TYR 63 5 47.5 7.5 14.0 26.0 0.0
ALA 64 1 26.0 8.0 13.0 5.0 0.0
GLN 65 14 32.5 8.0 15.0 9.5 0.0
GLY 66 0 29.0 6.5 12.5 10.0 0.0
ILE 67 12 56.0 8.5 19.0 28.5 0.0
GLU 68 5 27.5 11.0 16.0 0.5 0.0
VAL 69 5 43.5 9.0 23.5 11.0 0.0
ALA 70 1 38.0 6.0 17.5 14.5 0.0
ARG 71 18 25.5 9.0 10.0 6.5 0.0
GLU 72 8 20.5 12.0 8.5 0.0 0.0
GLU 73 4 24.0 8.5 12.0 3.5 0.0
GLY 74 0 15.5 5.5 5.0 5.0 0.0
THR 75 2 13.0 6.0 6.5 0.5 0.0
GLN 76 9 18.5 6.5 10.0 2.0 0.0
LYS 77 17 13.0 6.0 7.0 0.0 0.0
ASP 78 2 25.5 7.0 12.0 6.5 0.0
LEU 79 11 46.5 9.5 22.5 14.5 0.0
SER 80 1 20.5 8.0 11.0 1.5 0.0
GLU 81 3 18.0 5.0 9.0 4.0 0.0
LEU 82 12 55.0 7.0 13.0 35.0 0.0
GLN 83 13 36.5 8.5 18.0 10.0 0.0
ASP 84 2 20.0 8.0 11.5 0.5 0.0
ALA 85 1 23.5 6.0 11.0 6.5 0.0
LYS 86 24 44.5 8.5 10.5 25.5 0.0
LEU 87 9 26.0 11.0 13.5 1.5 0.0
LYS 88 19 21.0 11.0 9.5 0.5 0.0
ALA 89 1 21.0 9.5 6.5 5.0 0.0
GLU 90 6 22.5 6.0 9.0 7.5 0.0
GLY 91 0 9.5 6.0 3.5 0.0 0.0
LEU 92 11 15.0 7.5 2.5 5.0 0.0
GLU 93 7 11.5 8.5 1.0 2.0 0.0
HIS 94 0 6.5 6.5 0.0 0.0 0.0
HIS 95 0 2.0 2.0 0.0 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
# TOTAL 557 2524.0 703.0 1017.0 804.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 3081.0
List of conformationally-resticting NOE constraints
assign ((resid 1 and name HA )) ( (resid 2 and name HN )) 3.00 1.20 0.45
assign ((resid 1 and name HB2 )) ( (resid 2 and name HN )) 4.10 2.30 0.62
assign ((resid 1 and name HB1 )) ( (resid 2 and name HN )) 4.10 2.30 0.62
assign ((resid 2 and name HN )) ( (resid 2 and name HB2 )) 3.61 1.81 0.54
assign ((resid 2 and name HN )) ( (resid 2 and name HB1 )) 3.61 1.81 0.54
assign ((resid 51 and name HN )) ( (resid 51 and name HG2 )) 3.43 1.63 0.51
assign ((resid 4 and name HN )) ( (resid 4 and name HG1 )) 3.83 2.03 0.57
assign ((resid 4 and name HN )) ( (resid 5 and name HN )) 3.00 1.20 0.45
assign ((resid 5 and name HN )) ( (resid 8 and name HB )) 4.26 2.46 0.64
assign ((resid 4 and name HB2 )) ( (resid 5 and name HN )) 3.87 2.07 0.58
assign ((resid 4 and name HB1 )) ( (resid 5 and name HN )) 3.87 2.07 0.58
assign ((resid 5 and name HN )) ( (resid 5 and name HB2 )) 2.81 1.01 0.42
assign ((resid 6 and name HB2 )) ( (resid 7 and name HN )) 4.19 2.39 0.63
assign ((resid 6 and name HB1 )) ( (resid 7 and name HN )) 4.19 2.39 0.63
assign ((resid 6 and name HG1 )) ( (resid 7 and name HN )) 4.09 2.29 0.61
assign ((resid 6 and name HG2 )) ( (resid 7 and name HN )) 4.09 2.29 0.61
assign ((resid 6 and name HD2 )) ( (resid 7 and name HN )) 4.15 2.35 0.62
assign ((resid 6 and name HD1 )) ( (resid 7 and name HN )) 4.15 2.35 0.62
assign ((resid 7 and name HN )) ( (resid 7 and name HB1 )) 3.13 1.33 0.47
assign ((resid 7 and name HN )) ( (resid 7 and name HB2 )) 3.20 1.40 0.48
assign ((resid 7 and name HN )) ( (resid 7 and name HD* )) 4.20 2.40 0.63
assign ((resid 7 and name HN )) ( (resid 8 and name HN )) 3.16 1.36 0.47
assign ((resid 7 and name HB1 )) ( (resid 8 and name HN )) 3.49 1.69 0.52
assign ((resid 7 and name HB2 )) ( (resid 8 and name HN )) 3.81 2.01 0.57
assign ((resid 7 and name HD* )) ( (resid 8 and name HN )) 4.40 2.60 0.66
assign ((resid 8 and name HN )) ( (resid 8 and name HB )) 2.91 1.11 0.44
assign ((resid 8 and name HN )) ( (resid 9 and name HN )) 3.22 1.42 0.48
assign ((resid 8 and name HN )) ( (resid 10 and name HN )) 4.24 2.44 0.64
assign ((resid 7 and name HN )) ( (resid 9 and name HN )) 5.15 3.35 0.77
assign ((resid 8 and name HB )) ( (resid 9 and name HN )) 3.51 1.71 0.53
assign ((resid 9 and name HN )) ( (resid 9 and name HB1 )) 3.40 1.60 0.51
assign ((resid 9 and name HN )) ( (resid 9 and name HG2 )) 3.74 1.94 0.56
assign ((resid 9 and name HN )) ( (resid 9 and name HG1 )) 3.70 1.90 0.56
assign ((resid 9 and name HN )) ( (resid 9 and name HD1 )) 4.37 2.57 0.66
assign ((resid 9 and name HN )) ( (resid 9 and name HD2 )) 4.58 2.78 0.69
assign ((resid 7 and name HA )) ( (resid 10 and name HN )) 4.09 2.29 0.61
assign ((resid 7 and name HA )) ( (resid 11 and name HN )) 4.34 2.54 0.65
assign ((resid 9 and name HN )) ( (resid 10 and name HN )) 3.57 1.77 0.54
assign ((resid 9 and name HB1 )) ( (resid 10 and name HN )) 3.97 2.17 0.60
assign ((resid 9 and name HB2 )) ( (resid 10 and name HN )) 4.40 2.60 0.66
assign ((resid 9 and name HG2 )) ( (resid 10 and name HN )) 4.51 2.71 0.68
assign ((resid 9 and name HG1 )) ( (resid 10 and name HN )) 3.93 2.13 0.59
assign ((resid 9 and name HD1 )) ( (resid 10 and name HN )) 4.22 2.42 0.63
assign ((resid 9 and name HD2 )) ( (resid 10 and name HN )) 4.53 2.73 0.68
assign ((resid 10 and name HN )) ( (resid 10 and name HB2 )) 3.34 1.54 0.50
assign ((resid 10 and name HN )) ( (resid 10 and name HB1 )) 3.57 1.77 0.54
assign ((resid 10 and name HB1 )) ( (resid 11 and name HN )) 3.84 2.04 0.58
assign ((resid 10 and name HD* )) ( (resid 11 and name HN )) 3.47 1.67 0.52
assign ((resid 11 and name HN )) ( (resid 11 and name HB* )) 2.76 0.96 0.41
assign ((resid 11 and name HN )) ( (resid 12 and name HN )) 3.30 1.50 0.50
assign ((resid 9 and name HA )) ( (resid 12 and name HN )) 3.97 2.17 0.60
assign ((resid 10 and name HA )) ( (resid 12 and name HN )) 4.98 3.18 0.75
assign ((resid 12 and name HN )) ( (resid 12 and name HB2 )) 3.07 1.27 0.46
assign ((resid 12 and name HN )) ( (resid 12 and name HB1 )) 3.37 1.57 0.51
assign ((resid 12 and name HN )) ( (resid 28 and name HD1* )) 4.63 2.83 0.69
assign ((resid 12 and name HN )) ( (resid 14 and name HN )) 4.62 2.82 0.69
assign ((resid 10 and name HA )) ( (resid 13 and name HN )) 4.02 2.22 0.60
assign ((resid 12 and name HN )) ( (resid 13 and name HN )) 3.01 1.21 0.45
assign ((resid 12 and name HB1 )) ( (resid 13 and name HN )) 3.01 1.21 0.45
assign ((resid 22 and name HN )) ( (resid 22 and name HB* )) 2.66 0.86 0.40
assign ((resid 13 and name HN )) ( (resid 28 and name HD1* )) 3.36 1.56 0.50
assign ((resid 13 and name HN )) ( (resid 13 and name HB* )) 2.70 0.90 0.41
assign ((resid 13 and name HN )) ( (resid 14 and name HN )) 2.94 1.14 0.44
assign ((resid 13 and name HN )) ( (resid 15 and name HN )) 4.23 2.43 0.63
assign ((resid 10 and name HA )) ( (resid 14 and name HN )) 5.15 3.35 0.77
assign ((resid 13 and name HB* )) ( (resid 14 and name HN )) 3.12 1.32 0.47
assign ((resid 14 and name HN )) ( (resid 14 and name HB2 )) 3.08 1.28 0.46
assign ((resid 14 and name HN )) ( (resid 14 and name HB1 )) 3.71 1.91 0.56
assign ((resid 14 and name HN )) ( (resid 14 and name HG2 )) 3.17 1.37 0.48
assign ((resid 14 and name HN )) ( (resid 14 and name HG1 )) 3.26 1.46 0.49
assign ((resid 14 and name HN )) ( (resid 15 and name HN )) 3.24 1.44 0.49
assign ((resid 14 and name HN )) ( (resid 16 and name HN )) 4.34 2.54 0.65
assign ((resid 13 and name HA )) ( (resid 15 and name HN )) 6.50 4.70 0.98
assign ((resid 52 and name HN )) ( (resid 52 and name HG2 )) 5.00 3.20 0.75
assign ((resid 14 and name HG2 )) ( (resid 15 and name HN )) 4.76 2.96 0.71
assign ((resid 14 and name HG1 )) ( (resid 15 and name HN )) 4.13 2.33 0.62
assign ((resid 15 and name HN )) ( (resid 15 and name HB2 )) 2.95 1.15 0.44
assign ((resid 15 and name HN )) ( (resid 15 and name HG2 )) 3.47 1.67 0.52
assign ((resid 15 and name HN )) ( (resid 17 and name HN )) 4.16 2.36 0.62
assign ((resid 13 and name HA )) ( (resid 16 and name HN )) 3.95 2.15 0.59
assign ((resid 15 and name HN )) ( (resid 16 and name HN )) 3.12 1.32 0.47
assign ((resid 15 and name HB2 )) ( (resid 16 and name HN )) 3.12 1.32 0.47
assign ((resid 15 and name HG1 )) ( (resid 16 and name HN )) 5.00 3.20 0.75
assign ((resid 16 and name HN )) ( (resid 16 and name HB1 )) 3.58 1.78 0.54
assign ((resid 16 and name HN )) ( (resid 16 and name HB2 )) 3.37 1.57 0.51
assign ((resid 16 and name HN )) ( (resid 16 and name HD2 )) 3.93 2.13 0.59
assign ((resid 13 and name HA )) ( (resid 17 and name HN )) 5.98 4.18 0.90
assign ((resid 14 and name HA )) ( (resid 17 and name HN )) 3.93 2.13 0.59
assign ((resid 15 and name HA )) ( (resid 17 and name HN )) 5.68 3.88 0.85
assign ((resid 16 and name HN )) ( (resid 17 and name HN )) 3.20 1.40 0.48
assign ((resid 16 and name HB1 )) ( (resid 17 and name HN )) 3.62 1.82 0.54
assign ((resid 16 and name HB2 )) ( (resid 17 and name HN )) 3.72 1.92 0.56
assign ((resid 16 and name HD2 )) ( (resid 17 and name HN )) 5.49 3.69 0.82
assign ((resid 17 and name HN )) ( (resid 17 and name HB2 )) 2.70 0.90 0.41
assign ((resid 17 and name HN )) ( (resid 17 and name HG )) 3.23 1.43 0.48
assign ((resid 17 and name HN )) ( (resid 17 and name HD2* )) 3.65 1.85 0.55
assign ((resid 17 and name HN )) ( (resid 18 and name HN )) 3.06 1.26 0.46
assign ((resid 17 and name HB2 )) ( (resid 18 and name HN )) 2.77 0.97 0.42
assign ((resid 17 and name HG )) ( (resid 18 and name HN )) 4.35 2.55 0.65
assign ((resid 17 and name HD2* )) ( (resid 18 and name HN )) 4.62 2.82 0.69
assign ((resid 17 and name HD1* )) ( (resid 18 and name HN )) 4.83 3.03 0.72
assign ((resid 18 and name HN )) ( (resid 18 and name HG2 )) 3.54 1.74 0.53
assign ((resid 18 and name HN )) ( (resid 18 and name HG1 )) 3.54 1.74 0.53
assign ((resid 18 and name HN )) ( (resid 19 and name HN )) 3.06 1.26 0.46
assign ((resid 18 and name HB2 )) ( (resid 19 and name HN )) 4.97 3.17 0.75
assign ((resid 18 and name HB1 )) ( (resid 19 and name HN )) 4.97 3.17 0.75
assign ((resid 18 and name HG2 )) ( (resid 19 and name HN )) 5.27 3.47 0.79
assign ((resid 18 and name HG1 )) ( (resid 19 and name HN )) 5.27 3.47 0.79
assign ((resid 19 and name HN )) ( (resid 19 and name HB2 )) 3.71 1.91 0.56
assign ((resid 19 and name HN )) ( (resid 19 and name HB1 )) 3.71 1.91 0.56
assign ((resid 19 and name HN )) ( (resid 19 and name HD2 )) 4.28 2.48 0.64
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 3.08 1.28 0.46
assign ((resid 19 and name HB2 )) ( (resid 20 and name HN )) 4.25 2.45 0.64
assign ((resid 19 and name HB1 )) ( (resid 20 and name HN )) 4.25 2.45 0.64
assign ((resid 19 and name HD2 )) ( (resid 20 and name HN )) 5.27 3.47 0.79
assign ((resid 20 and name HN )) ( (resid 20 and name HB2 )) 3.57 1.77 0.54
assign ((resid 20 and name HN )) ( (resid 20 and name HB1 )) 3.57 1.77 0.54
assign ((resid 20 and name HN )) ( (resid 21 and name HN )) 3.11 1.31 0.47
assign ((resid 20 and name HA )) ( (resid 21 and name HN )) 3.03 1.23 0.45
assign ((resid 20 and name HB2 )) ( (resid 21 and name HN )) 4.65 2.85 0.70
assign ((resid 20 and name HB1 )) ( (resid 21 and name HN )) 4.65 2.85 0.70
assign ((resid 21 and name HN )) ( (resid 21 and name HB2 )) 3.01 1.21 0.45
assign ((resid 21 and name HA )) ( (resid 21 and name HD21 )) 4.87 3.07 0.73
assign ((resid 21 and name HN )) ( (resid 21 and name HD22 )) 5.54 3.74 0.83
assign ((resid 21 and name HA )) ( (resid 21 and name HD22 )) 4.78 2.98 0.72
assign ((resid 21 and name HB1 )) ( (resid 21 and name HD22 )) 3.78 1.98 0.57
assign ((resid 21 and name HN )) ( (resid 22 and name HN )) 3.28 1.48 0.49
assign ((resid 21 and name HA )) ( (resid 22 and name HN )) 2.91 1.11 0.44
assign ((resid 21 and name HB2 )) ( (resid 22 and name HN )) 4.32 2.52 0.65
assign ((resid 22 and name HN )) ( (resid 23 and name HN )) 3.78 1.98 0.57
assign ((resid 22 and name HB* )) ( (resid 23 and name HN )) 3.52 1.72 0.53
assign ((resid 23 and name HN )) ( (resid 24 and name HN )) 3.75 1.95 0.56
assign ((resid 22 and name HN )) ( (resid 24 and name HN )) 4.68 2.88 0.70
assign ((resid 22 and name HA )) ( (resid 24 and name HN )) 4.60 2.80 0.69
assign ((resid 23 and name HB2 )) ( (resid 24 and name HN )) 4.48 2.68 0.67
assign ((resid 23 and name HB1 )) ( (resid 24 and name HN )) 4.48 2.68 0.67
assign ((resid 24 and name HN )) ( (resid 24 and name HB1 )) 3.51 1.71 0.53
assign ((resid 24 and name HN )) ( (resid 24 and name HB2 )) 3.20 1.40 0.48
assign ((resid 24 and name HN )) ( (resid 24 and name HG1 )) 3.77 1.97 0.57
assign ((resid 24 and name HN )) ( (resid 24 and name HG2 )) 3.42 1.62 0.51
assign ((resid 24 and name HN )) ( (resid 24 and name HD2 )) 5.12 3.32 0.77
assign ((resid 22 and name HA )) ( (resid 25 and name HN )) 3.61 1.81 0.54
assign ((resid 23 and name HN )) ( (resid 25 and name HN )) 4.83 3.03 0.72
assign ((resid 23 and name HA )) ( (resid 25 and name HN )) 4.78 2.98 0.72
assign ((resid 24 and name HN )) ( (resid 25 and name HN )) 3.18 1.38 0.48
assign ((resid 24 and name HB1 )) ( (resid 25 and name HN )) 3.59 1.79 0.54
assign ((resid 24 and name HB2 )) ( (resid 25 and name HN )) 3.51 1.71 0.53
assign ((resid 24 and name HG1 )) ( (resid 25 and name HN )) 4.80 3.00 0.72
assign ((resid 24 and name HG2 )) ( (resid 25 and name HN )) 4.44 2.64 0.67
assign ((resid 25 and name HN )) ( (resid 25 and name HB* )) 2.84 1.04 0.43
assign ((resid 25 and name HN )) ( (resid 26 and name HN )) 3.31 1.51 0.50
assign ((resid 25 and name HN )) ( (resid 27 and name HN )) 4.67 2.87 0.70
assign ((resid 22 and name HA )) ( (resid 26 and name HN )) 4.00 2.20 0.60
assign ((resid 23 and name HA )) ( (resid 26 and name HN )) 3.85 2.05 0.58
assign ((resid 24 and name HN )) ( (resid 26 and name HN )) 4.62 2.82 0.69
assign ((resid 24 and name HA )) ( (resid 26 and name HN )) 4.53 2.73 0.68
assign ((resid 25 and name HB* )) ( (resid 26 and name HN )) 3.13 1.33 0.47
assign ((resid 26 and name HN )) ( (resid 26 and name HB2 )) 3.13 1.33 0.47
assign ((resid 26 and name HN )) ( (resid 26 and name HB1 )) 3.19 1.39 0.48
assign ((resid 26 and name HN )) ( (resid 26 and name HG )) 4.77 2.97 0.72
assign ((resid 26 and name HN )) ( (resid 26 and name HD2* )) 3.76 1.96 0.56
assign ((resid 26 and name HN )) ( (resid 28 and name HN )) 4.91 3.11 0.74
assign ((resid 23 and name HA )) ( (resid 27 and name HN )) 5.21 3.41 0.78
assign ((resid 26 and name HN )) ( (resid 27 and name HN )) 3.30 1.50 0.50
assign ((resid 26 and name HB2 )) ( (resid 27 and name HN )) 3.53 1.73 0.53
assign ((resid 26 and name HB1 )) ( (resid 27 and name HN )) 3.22 1.42 0.48
assign ((resid 26 and name HD1* )) ( (resid 27 and name HN )) 4.20 2.40 0.63
assign ((resid 27 and name HN )) ( (resid 27 and name HB* )) 2.61 0.81 0.39
assign ((resid 27 and name HN )) ( (resid 28 and name HN )) 3.24 1.44 0.49
assign ((resid 24 and name HA )) ( (resid 28 and name HN )) 4.73 2.93 0.71
assign ((resid 25 and name HA )) ( (resid 28 and name HN )) 4.14 2.34 0.62
assign ((resid 26 and name HA )) ( (resid 28 and name HN )) 4.92 3.12 0.74
assign ((resid 27 and name HB* )) ( (resid 28 and name HN )) 3.13 1.33 0.47
assign ((resid 28 and name HN )) ( (resid 28 and name HB1 )) 3.65 1.85 0.55
assign ((resid 28 and name HN )) ( (resid 28 and name HB2 )) 3.52 1.72 0.53
assign ((resid 28 and name HN )) ( (resid 28 and name HG )) 3.06 1.26 0.46
assign ((resid 28 and name HN )) ( (resid 28 and name HD1* )) 3.48 1.68 0.52
assign ((resid 28 and name HN )) ( (resid 28 and name HD2* )) 3.43 1.63 0.51
assign ((resid 28 and name HN )) ( (resid 30 and name HN )) 4.74 2.94 0.71
assign ((resid 25 and name HA )) ( (resid 29 and name HN )) 4.66 2.86 0.70
assign ((resid 26 and name HA )) ( (resid 29 and name HN )) 3.87 2.07 0.58
assign ((resid 27 and name HN )) ( (resid 29 and name HN )) 4.84 3.04 0.73
assign ((resid 27 and name HA )) ( (resid 29 and name HN )) 4.84 3.04 0.73
assign ((resid 28 and name HN )) ( (resid 29 and name HN )) 3.30 1.50 0.50
assign ((resid 28 and name HB1 )) ( (resid 29 and name HN )) 3.58 1.78 0.54
assign ((resid 28 and name HB2 )) ( (resid 29 and name HN )) 3.84 2.04 0.58
assign ((resid 64 and name HN )) ( (resid 67 and name HD1* )) 3.67 1.87 0.55
assign ((resid 28 and name HD2* )) ( (resid 29 and name HN )) 4.68 2.88 0.70
assign ((resid 29 and name HN )) ( (resid 29 and name HB2 )) 3.33 1.53 0.50
assign ((resid 29 and name HN )) ( (resid 29 and name HD* )) 3.72 1.92 0.56
assign ((resid 29 and name HN )) ( (resid 30 and name HN )) 3.39 1.59 0.51
assign ((resid 29 and name HN )) ( (resid 31 and name HN )) 4.55 2.75 0.68
assign ((resid 27 and name HA )) ( (resid 30 and name HN )) 4.12 2.32 0.62
assign ((resid 28 and name HA )) ( (resid 30 and name HN )) 5.28 3.48 0.79
assign ((resid 29 and name HB1 )) ( (resid 30 and name HN )) 4.35 2.55 0.65
assign ((resid 29 and name HB2 )) ( (resid 30 and name HN )) 4.07 2.27 0.61
assign ((resid 29 and name HD* )) ( (resid 30 and name HN )) 4.81 3.01 0.72
assign ((resid 30 and name HN )) ( (resid 30 and name HB2 )) 3.28 1.48 0.49
assign ((resid 30 and name HN )) ( (resid 30 and name HG1 )) 3.70 1.90 0.56
assign ((resid 27 and name HA )) ( (resid 31 and name HN )) 4.13 2.33 0.62
assign ((resid 28 and name HA )) ( (resid 31 and name HN )) 4.05 2.25 0.61
assign ((resid 29 and name HA )) ( (resid 31 and name HN )) 5.32 3.52 0.80
assign ((resid 30 and name HN )) ( (resid 31 and name HN )) 3.32 1.52 0.50
assign ((resid 30 and name HB1 )) ( (resid 31 and name HN )) 3.76 1.96 0.56
assign ((resid 30 and name HB2 )) ( (resid 31 and name HN )) 2.90 1.10 0.44
assign ((resid 30 and name HG1 )) ( (resid 31 and name HN )) 4.38 2.58 0.66
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assign ((resid 81 and name HN )) ( (resid 81 and name HG* )) 3.00 1.20 0.45
assign ((resid 81 and name HA )) ( (resid 81 and name HG* )) 3.06 1.26 0.46
assign ((resid 81 and name HG* )) ( (resid 82 and name HN )) 4.75 2.95 0.71
assign ((resid 85 and name HA )) ( (resid 88 and name HD* )) 4.63 2.83 0.69
assign ((resid 88 and name HN )) ( (resid 88 and name HD* )) 4.34 2.54 0.65
assign ((resid 88 and name HA )) ( (resid 88 and name HD* )) 4.19 2.39 0.63
assign ((resid 88 and name HG2 )) ( (resid 88 and name HD* )) 2.51 0.71 0.38
assign ((resid 88 and name HG2 )) ( (resid 88 and name HE* )) 3.62 1.82 0.54
assign ((resid 88 and name HG1 )) ( (resid 88 and name HE* )) 3.72 1.92 0.56
assign ((resid 88 and name HD* )) ( (resid 89 and name HN )) 5.00 3.20 0.75
assign ((resid 88 and name HD* )) ( (resid 89 and name HA )) 4.60 2.80 0.69
assign ((resid 88 and name HE* )) ( (resid 89 and name HN )) 5.20 3.40 0.78
assign ((resid 91 and name HA* )) ( (resid 92 and name HA )) 4.61 2.81 0.69
assign ((resid 91 and name HA* )) ( (resid 92 and name HG )) 4.84 3.04 0.73
assign ((resid 91 and name HA* )) ( (resid 92 and name HD2* )) 5.40 3.60 0.81
assign ((resid 91 and name HA* )) ( (resid 93 and name HN )) 5.01 3.21 0.75
assign ((resid 93 and name HN )) ( (resid 93 and name HB* )) 3.15 1.35 0.47
assign ((resid 93 and name HN )) ( (resid 93 and name HG* )) 3.39 1.59 0.51
assign ((resid 93 and name HN )) ( (resid 94 and name HB* )) 5.09 3.29 0.76
assign ((resid 93 and name HA )) ( (resid 93 and name HG* )) 3.34 1.54 0.50
assign ((resid 93 and name HB* )) ( (resid 94 and name HN )) 3.75 1.95 0.56
assign ((resid 93 and name HG* )) ( (resid 94 and name HN )) 4.74 2.94 0.71
assign ((resid 93 and name HG* )) ( (resid 94 and name HA )) 6.50 4.70 0.98
assign ((resid 94 and name HB* )) ( (resid 95 and name HN )) 4.15 2.35 0.62
list of removed NOE constraints
6-> PRO 3 HA - GLU 4 HN 1.80 3.99 # NoRestrctn S [2.00 3.99] -- sequential
7-> GLU 4 HN - GLU 4 HB2 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
9-> GLU 4 HN - GLU 4 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
35-> ARG 9 HN - ARG 9 HB2 1.80 4.45 # NoRestrctn I [2.00 4.30] -- intra
86-> GLU 15 HA - HIS 16 HN 1.80 4.03 # NoRestrctn S [2.00 3.99] -- sequential
107-> LYS 18 HN - LYS 18 HA 1.80 3.32 # NoRestrctn I [2.22 2.95] -- intra
122-> ASP 20 HN - ASP 20 HA 1.80 3.06 # NoRestrctn I [2.22 2.95] -- intra
196-> PHE 29 HN - PHE 29 HB1 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
206-> GLU 30 HN - GLU 30 HB1 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
257-> ASP 36 HN - ASP 36 HB1 1.80 4.50 # NoRestrctn I [2.00 4.30] -- intra
259-> ASP 38 HN - ASP 38 HB2 1.80 4.81 # NoRestrctn I [2.00 4.30] -- intra
260-> ASP 38 HN - ASP 38 HB1 1.80 4.81 # NoRestrctn I [2.00 4.30] -- intra
298-> TYR 44 HN - HIS 45 HA 1.80 7.48 # NoRestrctn S [2.00 3.99] -- sequential
301-> TYR 44 HN - TYR 44 HB2 1.80 4.52 # NoRestrctn I [2.00 4.30] -- intra
302-> TYR 44 HN - TYR 44 HB1 1.80 4.52 # NoRestrctn I [2.00 4.30] -- intra
383-> GLU 51 HN - GLU 51 HB1 1.80 4.75 # NoRestrctn I [2.00 4.30] -- intra
392-> ARG 52 HN - ARG 52 HA 1.80 3.36 # NoRestrctn I [2.22 2.95] -- intra
407-> ASP 54 HN - ASP 54 HA 1.80 3.09 # NoRestrctn I [2.22 2.95] -- intra
430-> ASP 57 HN - ASP 57 HB2 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
431-> ASP 57 HN - ASP 57 HB1 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
480-> TYR 63 HN - TYR 63 HB1 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
496-> GLN 65 HN - GLN 65 HA 1.80 3.38 # NoRestrctn I [2.22 2.95] -- intra
507-> GLN 65 HG2 - GLN 65 HE22 1.80 4.32 # NoRestrctn I [3.46 4.15] -- intra
569-> GLU 73 HN - GLU 73 HB1 1.80 4.32 # NoRestrctn I [2.00 4.30] -- intra
574-> GLU 73 HA - GLY 74 HN 1.80 4.09 # NoRestrctn S [2.00 3.99] -- sequential
579-> GLY 74 HN - GLY 74 HA1 1.80 3.28 # NoRestrctn I [2.00 2.99] -- intra
584-> GLN 76 HN - GLN 76 HB1 1.80 4.67 # NoRestrctn I [2.00 4.30] -- intra
593-> LYS 77 HN - LYS 77 HB1 1.80 4.34 # NoRestrctn I [2.00 4.30] -- intra
626-> GLU 81 HN - GLU 81 HA 1.80 3.37 # NoRestrctn I [2.22 2.95] -- intra
634-> LEU 82 HN - LEU 82 HB1 1.80 4.76 # NoRestrctn I [2.00 4.30] -- intra
694-> LEU 87 HA - LYS 88 HN 1.80 4.09 # NoRestrctn S [2.00 3.99] -- sequential
723-> GLY 91 HA2 - LEU 92 HN 1.80 4.01 # NoRestrctn S [2.00 3.99] -- sequential
724-> GLY 91 HA1 - LEU 92 HN 1.80 4.01 # NoRestrctn S [2.00 3.99] -- sequential
817-> ARG 24 HN - ALA 25 HA 1.80 6.31 # NoRestrctn S [2.00 3.99] -- sequential
870-> ASP 36 HN - PRO 37 HA 1.80 5.97 # NoRestrctn S [2.00 3.99] -- sequential
960-> GLN 65 HN - GLY 66 HA1 1.80 6.03 # NoRestrctn S [2.00 3.99] -- sequential
1005-> GLU 73 HN - GLY 74 HA2 1.80 6.27 # NoRestrctn S [2.00 3.99] -- sequential
1007-> GLY 74 HN - THR 75 HA 1.80 6.15 # NoRestrctn S [2.00 3.99] -- sequential
1087-> ASP 20 HN - ASN 21 HA 1.80 6.73 # NoRestrctn S [2.00 3.99] -- sequential
1102-> THR 35 HN - ASP 36 HA 1.80 6.85 # NoRestrctn S [2.00 3.99] -- sequential
1125-> THR 56 HN - ASP 57 HA 1.80 6.51 # NoRestrctn S [2.00 3.99] -- sequential
1147-> GLU 68 HN - VAL 69 HA 1.80 6.29 # NoRestrctn S [2.00 3.99] -- sequential
1150-> VAL 69 HN - ALA 70 HA 1.80 5.70 # NoRestrctn S [2.00 3.99] -- sequential
1160-> LYS 77 HN - ASP 78 HA 1.80 6.30 # NoRestrctn S [2.00 3.99] -- sequential
1252-> ASP 84 HN - ALA 85 HA 1.80 6.24 # NoRestrctn S [2.00 3.99] -- sequential
1257-> GLY 91 HN - LEU 92 HA 1.80 6.13 # NoRestrctn S [2.00 3.99] -- sequential
1261-> GLU 93 HN - HIS 94 HA 1.80 5.88 # NoRestrctn S [2.00 3.99] -- sequential
1265-> ALA 22 HN - SER 23 HA 1.80 7.48 # NoRestrctn S [2.00 3.99] -- sequential
1268-> ARG 71 HN - GLU 72 HA 1.80 6.13 # NoRestrctn S [2.00 3.99] -- sequential
1283-> GLU 1 HA - GLU 1 HG2 1.80 4.86 # NoRestrctn I [2.06 4.60] -- intra
1284-> GLU 1 HA - GLU 1 HG1 1.80 4.86 # NoRestrctn I [2.06 4.60] -- intra
1292-> GLU 4 HA - ASP 5 HN 1.80 4.09 # NoRestrctn S [2.00 3.99] -- sequential
1318-> LEU 12 HA - LEU 12 HG 1.80 4.54 # NoRestrctn I [2.06 4.26] -- intra
1337-> GLN 14 HB1 - GLN 14 HG2 1.80 3.46 # NoRestrctn I [1.99 3.26] -- intra
1344-> LEU 17 HA - LEU 17 HG 1.80 4.31 # NoRestrctn I [2.06 4.26] -- intra
1358-> ASN 21 HN - ASN 21 HB1 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
1366-> ARG 24 HB2 - ARG 24 HG1 1.80 3.29 # NoRestrctn I [1.99 3.26] -- intra
1415-> ARG 52 HA - ARG 52 HB1 1.80 3.42 # NoRestrctn I [2.22 3.02] -- intra
1418-> GLU 31 HN - GLU 31 HG2 1.80 6.18 # NoRestrctn I [2.35 6.01] -- intra
1419-> GLU 31 HN - GLU 31 HG1 1.80 6.18 # NoRestrctn I [2.35 6.01] -- intra
1423-> LEU 32 HN - LEU 32 HB1 1.80 4.63 # NoRestrctn I [2.00 4.30] -- intra
1435-> GLU 34 HA - GLU 34 HB1 1.80 3.35 # NoRestrctn I [2.22 3.02] -- intra
1437-> GLU 31 HA - GLU 31 HB2 1.80 3.23 # NoRestrctn I [2.22 3.02] -- intra
1438-> GLU 34 HA - GLU 34 HB2 1.80 3.45 # NoRestrctn I [2.22 3.02] -- intra
1445-> ASP 36 HA - PRO 37 HD2 1.80 4.12 # NoRestrctn S [2.00 3.95] -- sequential
1446-> ASP 36 HA - PRO 37 HD1 1.80 4.12 # NoRestrctn S [2.00 3.95] -- sequential
1452-> VAL 40 HA - GLY 41 HN 1.80 3.99 # NoRestrctn S [2.00 3.99] -- sequential
1498-> LEU 49 HA - LEU 49 HG 1.80 4.40 # NoRestrctn I [2.06 4.26] -- intra
1520-> ARG 52 HN - ARG 52 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
1521-> ARG 52 HB1 - ARG 52 HG2 1.80 3.45 # NoRestrctn I [1.99 3.26] -- intra
1529-> LEU 53 HA - LEU 53 HB1 1.80 3.46 # NoRestrctn I [2.22 3.02] -- intra
1531-> LEU 53 HN - LEU 53 HB1 1.80 4.74 # NoRestrctn I [2.00 4.30] -- intra
1538-> ARG 55 HA - ARG 55 HG1 1.80 4.62 # NoRestrctn I [2.06 4.60] -- intra
1540-> ARG 55 HN - ARG 55 HB1 1.80 4.45 # NoRestrctn I [2.00 4.30] -- intra
1551-> ILE 60 HA - ILE 60 HG12 1.80 4.72 # NoRestrctn I [2.06 4.60] -- intra
1556-> ILE 60 HB - ILE 60 HD1* 1.80 3.89 # NoRestrctn I [2.63 3.78] -- intra
1580-> GLN 65 HB1 - GLN 65 HG1 1.80 3.38 # NoRestrctn I [1.99 3.26] -- intra
1598-> ILE 67 HG2* - ILE 67 HD1* 1.80 2.76 # TooRestrct I [2.92 5.00] -- intra
1600-> GLU 68 HA - GLU 68 HG1 1.80 4.65 # NoRestrctn I [2.06 4.60] -- intra
1603-> GLU 68 HB1 - GLU 68 HG2 1.80 3.35 # NoRestrctn I [1.99 3.26] -- intra
1616-> ARG 71 HA - ARG 71 HB1 1.80 3.44 # NoRestrctn I [2.22 3.02] -- intra
1642-> GLU 73 HA - GLU 73 HG1 1.80 4.70 # NoRestrctn I [2.06 4.60] -- intra
1646-> GLU 68 HA - GLU 68 HB1 1.80 3.44 # NoRestrctn I [2.22 3.02] -- intra
1650-> GLN 76 HN - GLN 76 HG2 1.80 6.06 # NoRestrctn I [2.35 6.01] -- intra
1651-> GLN 76 HN - GLN 76 HG1 1.80 6.06 # NoRestrctn I [2.35 6.01] -- intra
1656-> LYS 77 HA - LYS 77 HB2 1.80 3.35 # NoRestrctn I [2.22 3.02] -- intra
1664-> LEU 79 HA - LEU 79 HG 1.80 4.28 # NoRestrctn I [2.06 4.26] -- intra
1694-> GLU 15 HA - GLU 15 HB1 1.80 3.27 # NoRestrctn I [2.22 3.02] -- intra
1698-> GLN 83 HA - GLN 83 HB1 1.80 3.36 # NoRestrctn I [2.22 3.02] -- intra
1751-> LYS 88 HA - LYS 88 HG2 1.80 4.89 # NoRestrctn I [2.06 4.60] -- intra
1772-> LEU 92 HA - LEU 92 HB2 1.80 3.44 # NoRestrctn I [2.22 3.02] -- intra
1776-> LEU 92 HA - LEU 92 HG 1.80 4.80 # NoRestrctn I [2.06 4.26] -- intra
1832-> LEU 12 HA - ALA 13 HB* 1.80 6.07 # NoRestrctn S [2.00 6.01] -- sequential
1858-> HIS 19 HN - ASP 20 HA 1.80 5.35 # NoRestrctn S [2.00 3.99] -- sequential
1880-> ASN 21 HN - ALA 22 HA 1.80 6.56 # NoRestrctn S [2.00 3.99] -- sequential
1882-> LEU 26 HN - ALA 27 HB* 1.80 7.48 # NoRestrctn S [2.00 6.01] -- sequential
1925-> LEU 26 HN - ALA 27 HA 1.80 7.48 # NoRestrctn S [2.00 3.99] -- sequential
1969-> GLU 34 HN - THR 35 HA 1.80 6.28 # NoRestrctn S [2.00 3.99] -- sequential
2103-> LEU 53 HN - ASP 54 HA 1.80 5.83 # NoRestrctn S [2.00 3.99] -- sequential
2294-> GLU 73 HN - GLY 74 HA1 1.80 5.91 # NoRestrctn S [2.00 3.99] -- sequential
2334-> ASP 84 HA - ALA 85 HB* 1.80 6.11 # NoRestrctn S [2.00 6.01] -- sequential
2499-> LYS 86 HN - LEU 87 HA 1.80 6.14 # NoRestrctn S [2.00 3.99] -- sequential
2560-> GLN 65 HN - GLY 66 HA2 1.80 6.19 # NoRestrctn S [2.00 3.99] -- sequential
2783-> GLU 72 HN - GLU 73 HA 1.80 6.39 # NoRestrctn S [2.00 3.99] -- sequential
2982-> GLU 1 HA - GLU 1 HG* 1.80 4.14 # NoRestrctn I [2.23 4.01] -- intra
2983-> GLU 1 HA - ASP 2 HB* 1.80 7.48 # NoRestrctn S [2.00 6.01] -- sequential
2997-> GLU 4 HB* - GLU 4 HG* 1.80 2.59 # NoRestrctn I [2.26 2.50] -- intra
3002-> PRO 6 HB* - PHE 7 HA 1.80 6.58 # NoRestrctn S [2.00 6.01] -- sequential
3034-> LYS 18 HG* - LYS 18 HD* 1.80 2.68 # NoRestrctn I [2.26 2.50] -- intra
3035-> LYS 18 HG* - LYS 18 HE* 1.80 3.83 # NoRestrctn I [2.52 3.73] -- intra
3041-> HIS 19 HN - ASP 20 HB* 1.80 6.27 # NoRestrctn S [2.00 6.01] -- sequential
3065-> ASP 38 HN - ASP 38 HB* 1.80 4.15 # NoRestrctn I [2.29 3.93] -- intra
3067-> ASP 38 HB* - TYR 39 HA 1.80 6.26 # NoRestrctn S [2.00 6.01] -- sequential
3070-> VAL 40 HN - GLY 41 HA* 1.80 6.04 # NoRestrctn S [2.00 3.55] -- sequential
3077-> TYR 43 HN - TYR 44 HB* 1.80 6.46 # NoRestrctn S [2.00 6.01] -- sequential
3079-> TYR 44 HN - TYR 44 HB* 1.80 3.89 # NoRestrctn I [2.15 3.88] -- intra
3080-> TYR 44 HB* - HIS 45 HA 1.80 6.08 # NoRestrctn S [2.00 6.01] -- sequential
3113-> LEU 53 HN - ASP 54 HB* 1.80 6.31 # NoRestrctn S [2.00 6.01] -- sequential
3146-> GLN 76 HB1 - GLN 76 HG* 1.80 2.94 # NoRestrctn I [2.32 2.75] -- intra
3172-> SER 80 HA - SER 80 HB* 1.80 3.02 # FixedDistn I [0.00 0.00] -- intra
3190-> GLU 90 HN - GLY 91 HA* 1.80 5.90 # NoRestrctn S [2.00 3.55] -- sequential
3199-> GLU 93 HA - HIS 94 HB* 1.80 6.15 # NoRestrctn S [2.00 6.01] -- sequential
3200-> GLU 93 HB* - GLU 93 HG* 1.80 2.54 # NoRestrctn I [2.26 2.50] -- intra
3204-> HIS 94 HA - HIS 94 HB* 1.80 3.02 # FixedDistn I [0.00 0.00] -- intra
====== TOTAL ======: 124
table of distance constraints violations
Residual Violations greater than 0.10
1-> GLU 1 HA - ASP 2 HN [ 1.80 3.45] 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 0.00 0.00 - 1 [ 0.11 .. 0.11]
221-> GLU 31 HB3 - LEU 32 HN [ 1.80 3.15] 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.17 .. 0.19]
313-> HIS 45 HN - HIS 45 HD2 [ 1.80 3.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.04 0.00 0.00 0.00 - 3 [ 1.04 .. 1.16]
321-> HIS 45 HD2 - LEU 46 HN [ 1.80 5.15] 0.02 0.21 0.00 0.00 0.00 0.00 0.00 0.02 1.05 0.00 0.01 0.19 0.01 0.00 0.25 1.03 1.02 0.00 0.14 0.03 - 12 [ 0.01 .. 1.05]
662-> ASP 84 HN - ASP 84 HB3 [ 1.80 3.40] 0.15 0.14 0.14 0.14 0.14 0.14 0.15 0.00 0.14 0.15 0.15 0.15 0.14 0.15 0.14 0.15 0.00 0.00 0.15 0.15 - 17 [ 0.14 .. 0.15]
721-> GLU 90 HG2 - GLY 91 HN [ 1.80 5.06] 0.09 0.08 0.08 0.07 0.13 0.08 0.11 0.19 0.14 0.18 0.15 0.12 0.11 0.17 0.07 0.14 0.09 0.10 0.09 0.11 - 20 [ 0.07 .. 0.19]
1202-> ASN 21 HD21 - SER 23 HB3 [ 1.80 7.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 - 1 [ 0.13 .. 0.13]
1218-> TYR 44 HN - HIS 45 HD2 [ 1.80 7.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.35 0.00 0.00 0.00 - 3 [ 0.31 .. 0.47]
1275-> ASN 21 HD21 - ALA 22 HN [ 1.80 6.15] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 - 3 [ 0.03 .. 0.37]
1285-> ASP 2 HA - PRO 3 HD2 [ 1.80 3.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
1306-> ARG 9 HA - ARG 9 HD2 [ 1.80 5.34] 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.17 .. 0.17]
1604-> GLU 68 HG2 - VAL 69 HN [ 1.80 4.88] 0.11 0.07 0.08 0.07 0.10 0.05 0.09 0.09 0.07 0.08 0.11 0.11 0.10 0.06 0.02 0.07 0.06 0.10 0.07 0.10 - 20 [ 0.02 .. 0.11]
1818-> GLU 4 HA - ARG 9 HD3 [ 1.80 5.88] 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.14 .. 0.15]
1950-> THR 42 HA - HIS 45 HD2 [ 1.80 5.97] 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.66 0.00 0.00 0.70 0.80 0.81 0.00 0.58 0.00 - 7 [ 0.58 .. 0.81]
1973-> GLU 31 HG3 - THR 35 HG2* [ 1.80 4.85] 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.13 .. 0.13]
2374-> ASP 5 HB3 - PRO 6 HD2 [ 1.80 4.49] 0.09 0.11 0.03 0.00 0.07 0.00 0.06 0.03 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.04 0.09 - 10 [ 0.03 .. 0.11]
2709-> THR 8 HB - ARG 9 HD2 [ 1.80 5.97] 0.23 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.06 .. 0.28]
2878-> TYR 10 HE* - HIS 45 HD2 [ 1.80 4.50] 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.83 0.00 0.00 0.85 0.51 0.64 0.00 0.79 0.00 - 7 [ 0.51 .. 0.85]
2943-> TYR 10 HD* - HIS 45 HD2 [ 1.80 6.33] 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 1.00 0.00 0.00 0.98 0.21 0.36 0.00 0.93 0.00 - 7 [ 0.21 .. 1.00]
2962-> TYR 44 HE* - HIS 45 HE1 [ 1.80 5.24] 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.85 0.00 0.00 0.00 0.80 0.00 - 4 [ 0.80 .. 0.87]
2984-> GLU 1 HB* - ASP 2 HN [ 1.80 3.89] 0.00 0.11 0.00 0.00 0.00 0.07 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.11 0.00 0.00 0.04 - 6 [ 0.01 .. 0.11]
2988-> ASP 2 HB* - PRO 3 HD2 [ 1.80 3.98] 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.15 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.02 .. 0.15]
-------------------------------------------
Number of Violations greater than 0.10 6 8 1 1 6 1 2 1 10 2 8 8 4 3 6 9 7 2 6 4
-------------------------------------------
---- Summary Of Residual Distance Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 5 3 1 1 6 1 2 1 4 2 7 4 4 3 1 3 1 2 2 3 2.80
0.2 - 0.5 ang: 1 1 0 0 0 0 0 0 2 0 1 0 0 0 1 2 2 0 0 1 0.55
> 0.5 ang: 0 4 0 0 0 0 0 0 4 0 0 4 0 0 4 4 4 0 4 0 1.40
Total : 44 44 39 36 45 38 40 51 45 41 39 42 42 37 39 54 43 30 40 50 41.95
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 : 0.227 0.940 0.143 0.136 0.172 0.142 0.147 0.185 1.064 0.180 0.284 1.004 0.144 0.166 0.980 1.159 1.038 0.104 0.932 0.370 1.159
Max Intra Viol : 0.172 0.145 0.143 0.136 0.141 0.142 0.147 0.069 1.064 0.153 0.167 0.148 0.144 0.150 0.141 1.159 1.038 0.028 0.151 0.152 1.159
Max Seque Viol : 0.227 0.821 0.075 0.073 0.172 0.090 0.112 0.185 1.050 0.180 0.284 0.868 0.107 0.166 0.853 1.031 1.024 0.104 0.802 0.370 1.050
Max Medium Viol : 0.092 0.646 0.077 0.076 0.126 0.087 0.089 0.079 0.784 0.092 0.079 0.657 0.098 0.068 0.696 0.803 0.813 0.094 0.577 0.133 0.813
Max Long Viol : 0.146 0.940 0.070 0.062 0.086 0.088 0.057 0.094 0.571 0.074 0.136 1.004 0.075 0.066 0.980 0.506 0.641 0.061 0.932 0.093 1.004
Average Violation : 0.001 0.002 0.000 0.000 0.001 0.000 0.000 0.001 0.002 0.000 0.001 0.002 0.000 0.000 0.001 0.002 0.002 0.000 0.001 0.001 0.00088
Avge Intra Viol : 0.001 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.002 0.000 0.001 0.000 0.000 0.000 0.000 0.002 0.002 0.000 0.000 0.000 0.00053
Avge Seque Viol : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.001 0.002 0.001 0.001 0.002 0.002 0.002 0.000 0.001 0.001 0.00098
Avge Mediu Viol : 0.001 0.001 0.000 0.000 0.001 0.000 0.000 0.000 0.002 0.000 0.001 0.001 0.000 0.000 0.001 0.002 0.002 0.000 0.001 0.001 0.00086
Avge Long Viol : 0.001 0.003 0.001 0.000 0.001 0.001 0.000 0.001 0.001 0.000 0.001 0.003 0.000 0.000 0.003 0.001 0.002 0.000 0.003 0.001 0.00110
RMS Violation : 0.008 0.029 0.005 0.005 0.007 0.006 0.005 0.006 0.033 0.006 0.009 0.030 0.006 0.006 0.030 0.034 0.033 0.004 0.028 0.009 0.01909
RMS Intra : 0.009 0.006 0.006 0.005 0.006 0.006 0.006 0.003 0.043 0.007 0.009 0.006 0.006 0.006 0.006 0.046 0.041 0.001 0.006 0.007 0.01780
RMS Sequential : 0.005 0.024 0.005 0.005 0.007 0.006 0.006 0.006 0.029 0.005 0.006 0.025 0.006 0.005 0.026 0.030 0.030 0.005 0.021 0.008 0.01651
RMS Medium range : 0.010 0.026 0.004 0.004 0.009 0.005 0.006 0.007 0.034 0.007 0.012 0.027 0.006 0.008 0.027 0.035 0.033 0.005 0.025 0.013 0.01878
RMS Long range : 0.007 0.044 0.004 0.004 0.005 0.005 0.004 0.005 0.024 0.004 0.007 0.046 0.004 0.004 0.046 0.020 0.026 0.005 0.043 0.006 0.02246
Final --global-- Summary for 20 models, 3285 NOEs/model, 65700 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 58.122
Summ sq. viol : 23.954
Maximum viol : 1.159
Average viol : 0.00088
RMSD viol : 0.01909
Std. Dev. viol : 0.01907
RMS Intra : 0.01780
RMS Seque : 0.01651
RMS Medi : 0.01878
RMS Long : 0.02246
table of dihedral angle constraints violations
143-> [TYR A 39] CHI2 40.0 90.0 33.8 24.6 30.5 40.5 121.6 28.4 29.3 125.7 26.0 26.4 23.7 29.3 29.7 29.0 24.1 29.1 30.7 8.9 119.9 27.4 - 20 [ 8.9 .. 125.7]
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0.05
> 10. degrees : 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0.95
Total : 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1.10
Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Maximum Violation : 33.8 24.6 30.5 40.5 121.6 28.4 29.3 125.7 26.0 26.4 23.7 29.3 29.7 29.0 24.1 29.1 30.7 8.9 119.9 27.4 125.72
Max PHI Viol : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.65
Max PSI Viol : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.21
Max CHI2 Viol : 33.8 24.6 30.5 40.5 121.6 28.4 29.3 125.7 26.0 26.4 23.7 29.3 29.7 29.0 24.1 29.1 30.7 8.9 119.9 27.4 125.72
Average Violation : 0.2 0.2 0.2 0.3 0.9 0.2 0.2 0.9 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.1 0.8 0.2 0.293
Avge PHI 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 0.096 0.000 0.000 0.000 0.021
Avge PSI Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.055 0.000 0.000 0.000 0.000 0.000 0.012
Avge CHI2 Viol : 5.815 4.965 5.521 6.361 11.029 5.325 5.412 11.212 5.095 5.140 4.866 5.411 5.446 5.381 4.911 5.393 5.539 2.976 10.950 5.235 6.475
RMS Violation : 2.827 2.061 2.549 3.383 10.171 2.372 2.449 10.513 2.171 2.210 1.980 2.448 2.481 2.421 2.017 2.432 2.566 0.741 10.027 2.292 4.529
RMS PHI 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 0.077 0.000 0.000 0.000 0.017
RMS PSI Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.025 0.000 0.000 0.000 0.000 0.000 0.006
RMS CHI2 Viol : 33.810 24.648 30.482 40.459 121.632 28.360 29.287 125.716 25.959 26.424 23.678 29.279 29.663 28.952 24.119 29.084 30.684 8.855 119.909 27.408 54.158
Final --global-- Summary for 20 models, 143 ACOs/model, 2860 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 839.27
Summ. Sq. Viol. : 58663.29
Max. Viol. : 125.716
Avg. Viol. : 0.29345
RMS Viol. : 4.52898
Std. Dev. Viol. : 4.51946
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
# -----------------------------------------------------------------------------------
GLU A 1 0.449 0.930 0.792 0.935
ASP A 2 0.960 0.950 0.528 0.983 2 2
PRO A 3 0.986 0.987 0.902 0.818 3 3
GLU A 4 0.978 0.986 0.999 0.713 0.932 4 4
ASP A 5 0.995 0.995 0.934 0.623 5 5
PRO A 6 0.999 0.997 1.000 1.000 6 6
PHE A 7 1.000 1.000 1.000 1.000 7 7
THR A 8 0.999 1.000 1.000 8 8
ARG A 9 1.000 0.999 0.988 0.970 0.794 0.847 0.996 9 9
TYR A 10 0.999 1.000 0.998 0.998 10 10
ALA A 11 1.000 1.000 11 11
LEU A 12 1.000 1.000 1.000 1.000 12 12
ALA A 13 1.000 1.000 13 13
GLN A 14 1.000 1.000 1.000 1.000 0.822 14 14
GLU A 15 1.000 1.000 1.000 1.000 1.000 15 15
HIS A 16 1.000 1.000 1.000 0.999 16 16
LEU A 17 1.000 1.000 1.000 1.000 17 17
LYS A 18 1.000 1.000 1.000 1.000 0.999 1.000 18 18
HIS A 19 0.999 0.998 1.000 1.000 19 19
ASP A 20 0.998 0.983 0.999 0.987 20 20
ASN A 21 0.995 0.998 0.999 0.905 21 21
ALA A 22 1.000 1.000 22 22
SER A 23 1.000 1.000 1.000 23 23
ARG A 24 1.000 1.000 1.000 1.000 1.000 1.000 1.000 24 24
ALA A 25 1.000 1.000 25 25
LEU A 26 1.000 1.000 1.000 1.000 26 26
ALA A 27 1.000 1.000 27 27
LEU A 28 1.000 0.999 1.000 1.000 28 28
PHE A 29 0.999 1.000 0.999 0.300 29 29
GLU A 30 1.000 0.999 1.000 1.000 1.000 30 30
GLU A 31 1.000 1.000 0.895 0.934 0.791 31 31
LEU A 32 1.000 1.000 0.999 1.000 32 32
VAL A 33 1.000 1.000 1.000 33 33
GLU A 34 1.000 1.000 1.000 1.000 0.980 34 34
THR A 35 1.000 1.000 1.000 35 35
ASP A 36 1.000 0.997 1.000 0.999 36 36
PRO A 37 0.998 0.997 0.970 0.938 37 37
ASP A 38 0.990 0.988 0.998 0.958 38 38
TYR A 39 0.994 0.998 0.994 0.797 39 39
VAL A 40 0.998 1.000 1.000 40 40
GLY A 41 1.000 0.999 41 41
THR A 42 1.000 1.000 1.000 42 42
TYR A 43 1.000 1.000 0.998 0.204 43 43
TYR A 44 1.000 1.000 1.000 0.998 44 44
HIS A 45 1.000 1.000 0.999 0.474 45 45
LEU A 46 1.000 1.000 1.000 1.000 46 46
GLY A 47 1.000 1.000 47 47
LYS A 48 1.000 1.000 0.997 0.989 0.756 0.272 48 48
LEU A 49 1.000 1.000 1.000 1.000 49 49
TYR A 50 1.000 1.000 1.000 1.000 50 50
GLU A 51 1.000 1.000 0.999 0.997 0.888 51 51
ARG A 52 1.000 1.000 1.000 1.000 1.000 0.882 1.000 52 52
LEU A 53 0.999 0.999 1.000 1.000 53 53
ASP A 54 1.000 0.998 1.000 1.000 54 54
ARG A 55 0.996 0.980 1.000 0.997 0.999 0.998 0.999 55 55
THR A 56 0.999 0.999 1.000 56 56
ASP A 57 1.000 1.000 0.939 0.955 57 57
ASP A 58 1.000 1.000 1.000 1.000 58 58
ALA A 59 1.000 1.000 59 59
ILE A 60 1.000 1.000 1.000 1.000 60 60
ASP A 61 1.000 1.000 1.000 1.000 61 61
THR A 62 1.000 1.000 1.000 62 62
TYR A 63 1.000 1.000 1.000 0.300 63 63
ALA A 64 1.000 1.000 64 64
GLN A 65 1.000 1.000 1.000 1.000 1.000 65 65
GLY A 66 1.000 1.000 66 66
ILE A 67 1.000 1.000 1.000 1.000 67 67
GLU A 68 1.000 1.000 1.000 1.000 0.940 68 68
VAL A 69 1.000 1.000 1.000 69 69
ALA A 70 1.000 1.000 70 70
ARG A 71 1.000 1.000 1.000 0.999 0.935 0.948 0.999 71 71
GLU A 72 1.000 1.000 1.000 1.000 1.000 72 72
GLU A 73 1.000 1.000 1.000 0.992 0.948 73 73
GLY A 74 1.000 1.000 74 74
THR A 75 0.997 0.999 1.000 75 75
GLN A 76 1.000 1.000 0.999 0.875 0.987 76 76
LYS A 77 1.000 1.000 1.000 1.000 0.997 0.685 77 77
ASP A 78 1.000 1.000 0.999 0.979 78 78
LEU A 79 1.000 1.000 1.000 1.000 79 79
SER A 80 1.000 1.000 0.800 80 80
GLU A 81 1.000 1.000 0.998 0.577 0.926 81 81
LEU A 82 1.000 1.000 1.000 1.000 82 82
GLN A 83 1.000 1.000 1.000 0.997 0.868 83 83
ASP A 84 1.000 1.000 0.838 0.901 84 84
ALA A 85 1.000 1.000 85 85
LYS A 86 1.000 1.000 0.999 0.999 0.999 0.862 86 86
LEU A 87 1.000 1.000 1.000 1.000 87 87
LYS A 88 1.000 0.999 1.000 0.999 0.764 0.935 88 88
ALA A 89 1.000 0.999 89 89
GLU A 90 0.999 0.999 1.000 1.000 0.974 90 90
GLY A 91 0.990 0.981 91 91
LEU A 92 0.983 0.985 0.999 1.000 92 92
GLU A 93 0.929 0.628 0.840 0.568 0.921
HIS A 94 0.560 0.442 0.172 0.473
HIS A 95 0.619 0.659 0.511 0.387
HIS A 96 0.876 0.570 0.403 0.057
HIS A 97 0.532 0.456 0.552 0.323
HIS A 98 0.602 0.363 0.259 0.476
HIS A 99 0.737 0.655 0.718
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 `SRR115C_R3Cons_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 1 is: 0.474
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 2 is: 0.276
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 3 is: 0.277
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 4 is: 0.399
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 5 is: 0.260
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 6 is: 0.301
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 7 is: 0.311
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 8 is: 0.491
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 9 is: 0.228
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 10 is: 0.177
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 11 is: 0.307
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 12 is: 0.219
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 13 is: 0.238
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 14 is: 0.172 (*)
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 15 is: 0.358
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 16 is: 0.287
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 17 is: 0.429
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 18 is: 0.342
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 19 is: 0.307
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 20 is: 0.248
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[2..92], is: 0.305
> Range of RMSD values to reference struct. is 0.172 to 0.491
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 1 is: 0.659
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 2 is: 0.482
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 3 is: 0.455
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 4 is: 0.510
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 5 is: 0.423
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 6 is: 0.576
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 7 is: 0.523
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 8 is: 0.605
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 9 is: 0.437
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 10 is: 0.356
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 11 is: 0.461
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 12 is: 0.472
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 13 is: 0.383
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 14 is: 0.330 (*)
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 15 is: 0.455
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 16 is: 0.406
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 17 is: 0.602
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 18 is: 0.558
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 19 is: 0.484
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 20 is: 0.459
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[2..92], is: 0.482
> Range of RMSD values to reference struct. is 0.330 to 0.659
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..99],for model 1 is: 2.262
> Kabsch RMSD of backb atoms in res. *[1..99],for model 2 is: 1.917
> Kabsch RMSD of backb atoms in res. *[1..99],for model 3 is: 1.061 (*)
> Kabsch RMSD of backb atoms in res. *[1..99],for model 4 is: 1.825
> Kabsch RMSD of backb atoms in res. *[1..99],for model 5 is: 1.658
> Kabsch RMSD of backb atoms in res. *[1..99],for model 6 is: 2.102
> Kabsch RMSD of backb atoms in res. *[1..99],for model 7 is: 1.496
> Kabsch RMSD of backb atoms in res. *[1..99],for model 8 is: 2.335
> Kabsch RMSD of backb atoms in res. *[1..99],for model 9 is: 2.463
> Kabsch RMSD of backb atoms in res. *[1..99],for model 10 is: 2.010
> Kabsch RMSD of backb atoms in res. *[1..99],for model 11 is: 2.251
> Kabsch RMSD of backb atoms in res. *[1..99],for model 12 is: 1.139
> Kabsch RMSD of backb atoms in res. *[1..99],for model 13 is: 1.422
> Kabsch RMSD of backb atoms in res. *[1..99],for model 14 is: 1.138
> Kabsch RMSD of backb atoms in res. *[1..99],for model 15 is: 1.609
> Kabsch RMSD of backb atoms in res. *[1..99],for model 16 is: 1.559
> Kabsch RMSD of backb atoms in res. *[1..99],for model 17 is: 1.927
> Kabsch RMSD of backb atoms in res. *[1..99],for model 18 is: 1.533
> Kabsch RMSD of backb atoms in res. *[1..99],for model 19 is: 1.576
> Kabsch RMSD of backb atoms in res. *[1..99],for model 20 is: 1.717
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..99], is: 1.750
> Range of RMSD values to reference struct. is 1.061 to 2.463
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 1 is: 2.783
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 2 is: 2.263
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 3 is: 1.577 (*)
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 4 is: 2.256
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 5 is: 2.096
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 6 is: 2.616
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 7 is: 2.029
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 8 is: 2.701
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 9 is: 2.845
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 10 is: 2.420
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 11 is: 2.707
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 12 is: 1.789
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 13 is: 1.712
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 14 is: 1.661
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 15 is: 2.036
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 16 is: 1.936
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 17 is: 2.407
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 18 is: 2.085
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 19 is: 2.173
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 20 is: 2.416
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..99], is: 2.225
> Range of RMSD values to reference struct. is 1.577 to 2.845
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 1.8 0.3 0.3
All heavy atoms 2.2 0.5 0.5
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 >>>----------+
| |
| SRR115C_R3Cons_em_bcr3_020.rin 0.0 1820 residues |
| |
+| Ramachandran plot: 92.6% core 7.3% allow 0.1% gener 0.0% disall |
| |
+| All Ramachandrans: 2 labelled residues (out of1820) |
+| Chi1-chi2 plots: 2 labelled residues (out of1240) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
2 -0.42
3 -0.21
4 -0.03
5 -0.40
6 -0.12
7 0.86
8 0.87
9 0.81
10 1.18
11 0.98
12 1.13
13 0.96
14 1.23
15 1.08
16 1.43
17 1.05
18 0.88
19 -0.46
20 -1.42
21 -1.25
22 0.69
23 1.17
24 1.14
25 0.99
26 0.95
27 0.99
28 1.06
29 1.00
30 0.97
31 1.05
32 1.04
33 0.98
34 0.68
35 -0.13
36 -1.47
37 -0.45
38 0.15
39 -1.58
40 0.79
41 0.63
42 1.16
43 1.22
44 0.64
45 1.43
46 1.13
47 1.17
48 1.00
49 1.13
50 1.19
51 1.05
52 0.35
53 -0.62
54 -0.76
55 -2.19
56 0.99
57 1.32
58 0.98
59 0.92
60 1.01
61 1.32
62 1.24
63 1.22
64 0.95
65 1.23
66 1.25
67 0.86
68 0.87
69 -0.61
70 0.76
71 0.82
72 0.10
73 -2.37
74 -0.41
75 -0.65
76 0.97
77 1.22
78 1.26
79 1.03
80 1.03
81 1.08
82 1.13
83 1.21
84 1.32
85 0.86
86 0.95
87 1.11
88 0.63
89 0.83
90 0.79
91 -0.06
92 0.18
#Reported_Model_Average 0.594
#Overall_Average_Reported 0.594
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 0.12
3 -0.21
4 0.35
5 -0.42
6 -0.12
7 0.84
8 0.81
9 -0.05
10 0.81
11 0.98
12 0.83
13 0.96
14 1.23
15 0.84
16 0.67
17 0.98
18 1.09
19 -0.26
20 -0.39
21 -0.73
22 0.69
23 0.93
24 0.74
25 0.99
26 0.73
27 0.99
28 0.97
29 0.16
30 1.05
31 0.87
32 0.81
33 0.73
34 0.21
35 0.12
36 -0.55
37 -0.45
38 0.46
39 -2.12
40 0.62
41 0.63
42 0.77
43 0.88
44 0.67
45 1.05
46 0.76
47 1.17
48 0.45
49 0.66
50 -0.01
51 1.03
52 0.74
53 0.13
54 -0.13
55 -0.97
56 0.89
57 1.18
58 1.06
59 0.92
60 0.32
61 1.23
62 0.84
63 0.33
64 0.95
65 0.49
66 1.25
67 0.73
68 1.07
69 -0.44
70 0.76
71 0.39
72 0.68
73 -0.99
74 -0.41
75 -0.09
76 0.58
77 1.01
78 0.99
79 0.78
80 0.74
81 0.79
82 0.81
83 1.07
84 1.12
85 0.86
86 0.15
87 -0.63
88 0.12
89 0.83
90 1.00
91 -0.06
92 0.54
#Reported_Model_Average 0.505
#Overall_Average_Reported 0.505
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 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.51 0.23
3 0.25 0.44 0.44 0.44 0.25 0.64 0.25 0.44 0.25 0.25 0.25 0.44 0.25 0.44 0.44 0.44 0.25 0.25 0.25 0.25
4 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.04
5 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51
6 -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 -0.41 -0.25 -0.25 -0.25 -0.25 -0.25
7 -1.81 -1.35 -1.81 -1.35 -1.35 -1.35 -1.35 -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
8 -0.13 -0.13 0.39 0.39 -0.13 -0.13 0.39 -0.13 -0.13 0.39 0.39 0.39 -0.13 0.39 0.39 -0.13 -0.13 0.39 -0.13 -0.13
9 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
10 0.50 0.86 0.86 0.50 0.86 0.50 0.86 0.86 0.86 0.50 0.50 0.50 0.50 0.86 0.86 0.86 0.86 0.86 0.50 0.50
11 -0.02 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 -0.02 0.44 0.44 0.44 0.44 0.44 0.44 0.76 -0.02 0.44
12 -0.46 -0.30 -0.46 -0.30 -0.46 -0.30 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46
13 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
14 -0.32 0.62 0.62 -0.32 -0.32 -0.32 -0.32 -0.32 -0.32 0.62 -0.32 0.62 0.62 -0.32 -0.32 0.62 -0.32 -0.32 -0.32 -0.32
15 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
16 0.82 0.82 0.82 0.82 0.82 0.82 0.82 0.61 0.82 0.82 0.82 0.82 0.82 0.82 0.61 0.82 0.82 0.82 0.61 0.61
17 -0.30 0.71 0.16 0.71 0.71 0.71 0.16 0.71 0.71 0.71 0.16 -0.30 0.71 0.71 0.71 0.71 0.71 0.16 0.71 0.16
18 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 0.07 0.07
19 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20
20 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
21 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
22 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 0.44 0.76 0.76
23 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
24 0.56 -0.20 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
25 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
26 0.71 0.71 0.71 0.16 0.71 0.16 0.71 0.16 0.71 0.71 0.71 0.71 0.16 0.71 0.71 0.16 -0.30 0.71 0.71 0.71
27 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
28 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
29 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
30 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62
31 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
32 1.30 1.30 0.71 0.71 0.71 0.71 0.71 0.71 1.30 0.71 1.30 0.71 1.30 1.30 0.71 0.71 1.30 0.71 1.30 1.30
33 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
34 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
35 -0.13 -0.13 -0.13 -0.13 -0.13 -0.20 -0.13 -0.13 -0.13 -0.13 -0.13 -0.20 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13
36 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.34 0.34 0.51 0.51 0.51 0.34 0.51 0.34 0.34 0.34 0.51 0.34 0.34
37 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
38 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.23 0.51 0.23 0.51 0.51 0.51 0.51
39 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.14 1.25 1.25 1.14 1.25
40 0.41 0.41 0.41 0.30 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
41 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
42 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
43 0.27 0.86 0.86 0.86 0.27 0.86 0.27 0.86 0.86 0.27 0.86 0.27 0.27 0.86 0.86 0.27 0.86 0.86 0.86 0.86
44 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50
45 -0.91 0.61 0.61 0.61 0.17 0.17 -0.91 0.61 0.61 0.17 0.61 0.82 0.17 0.17 0.82 0.61 0.61 0.61 0.82 0.61
46 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
47 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
48 0.56 0.56 0.56 0.66 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
49 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
50 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86
51 -0.58 -0.58 -0.58 -0.58 -0.58 -2.15 0.09 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 0.09 -0.58 -0.58 -0.58 -0.58 -0.58
52 -0.20 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 -0.20 -0.20 -0.20
53 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33
54 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
55 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24
56 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
57 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.29 0.29 0.44 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
58 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
59 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
60 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.55 1.11 0.55 0.55 0.55 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02
61 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
62 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
63 0.86 0.27 0.86 0.27 0.27 0.27 0.86 0.27 0.27 0.27 0.86 0.27 0.86 0.27 0.27 0.27 0.27 0.86 0.86 0.86
64 -0.02 0.44 0.44 0.44 0.44 0.44 -0.02 0.44 -0.02 0.44 0.44 -0.02 0.44 0.44 0.44 0.44 0.44 -0.02 0.44 0.44
65 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
66 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
67 0.55 0.55 -0.02 -0.02 0.55 0.55 0.55 0.55 -0.02 0.55 -0.02 -0.02 0.55 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.55
68 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
69 -0.29 -0.62 -0.29 0.30 -0.62 -0.62 -0.29 -0.29 0.30 -0.62 -0.29 -0.29 -0.62 0.30 -0.29 -0.62 0.30 -0.29 -0.29 0.30
70 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
71 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
72 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 0.62 0.62 0.62 0.62
73 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
74 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
75 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
76 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
77 0.07 0.66 0.07 0.66 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.66 0.07 0.07 0.66 0.07 0.07 0.07
78 -0.28 -0.28 0.29 0.29 -0.28 -0.28 -0.28 -0.28 0.29 -0.28 -0.28 0.29 -0.28 -0.28 -0.28 -0.28 0.29 0.29 -0.28 0.29
79 0.16 0.16 0.16 0.71 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.71 0.16 0.16 0.16 0.16 0.16 0.16 0.16
80 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 0.16 -0.38 -0.38 0.16 -0.38 -0.38
81 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
82 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
83 0.62 -0.32 -0.32 -0.32 -0.32 -0.32 -0.32 0.62 0.62 -0.32 -0.32 -0.32 -0.32 -0.32 0.62 0.62 0.62 -0.32 0.62 0.62
84 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
85 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
86 -0.94 -0.94 0.56 0.56 -0.94 -0.94 -0.94 0.56 0.56 -0.94 -0.94 -0.94 -0.94 -0.94 0.56 -0.94 0.56 -0.94 0.56 0.56
87 -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
88 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
89 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
90 0.62 0.62 0.62 0.62 0.62 0.62 0.09 0.62 -0.43 0.62 0.62 0.09 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.09
91 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
92 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68
#Reported_Model_Average 0.359 0.410 0.425 0.421 0.378 0.361 0.356 0.424 0.417 0.400 0.401 0.367 0.398 0.410 0.435 0.391 0.431 0.370 0.407 0.412
#Overall_Average_Reported 0.399
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 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.51 0.23
3 0.25 0.44 0.44 0.44 0.25 0.64 0.25 0.44 0.25 0.25 0.25 0.44 0.25 0.44 0.44 0.44 0.25 0.25 0.25 0.25
4 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.04
5 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51
6 -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 -0.41 -0.25 -0.25 -0.25 -0.25 -0.25
7 -1.81 -1.35 -1.81 -1.35 -1.35 -1.35 -1.35 -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
8 -0.13 -0.13 0.39 0.39 -0.13 -0.13 0.39 -0.13 -0.13 0.39 0.39 0.39 -0.13 0.39 0.39 -0.13 -0.13 0.39 -0.13 -0.13
9 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
10 0.50 0.86 0.86 0.50 0.86 0.50 0.86 0.86 0.86 0.50 0.50 0.50 0.50 0.86 0.86 0.86 0.86 0.86 0.50 0.50
11 -0.02 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 -0.02 0.44 0.44 0.44 0.44 0.44 0.44 0.76 -0.02 0.44
12 -0.46 -0.30 -0.46 -0.30 -0.46 -0.30 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46
13 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
14 -0.32 0.62 0.62 -0.32 -0.32 -0.32 -0.32 -0.32 -0.32 0.62 -0.32 0.62 0.62 -0.32 -0.32 0.62 -0.32 -0.32 -0.32 -0.32
15 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
16 0.82 0.82 0.82 0.82 0.82 0.82 0.82 0.61 0.82 0.82 0.82 0.82 0.82 0.82 0.61 0.82 0.82 0.82 0.61 0.61
17 -0.30 0.71 0.16 0.71 0.71 0.71 0.16 0.71 0.71 0.71 0.16 -0.30 0.71 0.71 0.71 0.71 0.71 0.16 0.71 0.16
18 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 0.07 0.07
19 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20
20 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
21 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
22 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 0.44 0.76 0.76
23 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
24 0.56 -0.20 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
25 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
26 0.71 0.71 0.71 0.16 0.71 0.16 0.71 0.16 0.71 0.71 0.71 0.71 0.16 0.71 0.71 0.16 -0.30 0.71 0.71 0.71
27 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
28 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
29 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
30 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62
31 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
32 1.30 1.30 0.71 0.71 0.71 0.71 0.71 0.71 1.30 0.71 1.30 0.71 1.30 1.30 0.71 0.71 1.30 0.71 1.30 1.30
33 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
34 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
35 -0.13 -0.13 -0.13 -0.13 -0.13 -0.20 -0.13 -0.13 -0.13 -0.13 -0.13 -0.20 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13
36 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.34 0.34 0.51 0.51 0.51 0.34 0.51 0.34 0.34 0.34 0.51 0.34 0.34
37 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
38 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.23 0.51 0.23 0.51 0.51 0.51 0.51
39 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.14 1.25 1.25 1.14 1.25
40 0.41 0.41 0.41 0.30 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
41 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
42 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
43 0.27 0.86 0.86 0.86 0.27 0.86 0.27 0.86 0.86 0.27 0.86 0.27 0.27 0.86 0.86 0.27 0.86 0.86 0.86 0.86
44 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50
45 -0.91 0.61 0.61 0.61 0.17 0.17 -0.91 0.61 0.61 0.17 0.61 0.82 0.17 0.17 0.82 0.61 0.61 0.61 0.82 0.61
46 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
47 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
48 0.56 0.56 0.56 0.66 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
49 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
50 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86
51 -0.58 -0.58 -0.58 -0.58 -0.58 -2.15 0.09 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 0.09 -0.58 -0.58 -0.58 -0.58 -0.58
52 -0.20 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 -0.20 -0.20 -0.20
53 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33
54 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
55 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24
56 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
57 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.29 0.29 0.44 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
58 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
59 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
60 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.55 1.11 0.55 0.55 0.55 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02
61 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
62 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
63 0.86 0.27 0.86 0.27 0.27 0.27 0.86 0.27 0.27 0.27 0.86 0.27 0.86 0.27 0.27 0.27 0.27 0.86 0.86 0.86
64 -0.02 0.44 0.44 0.44 0.44 0.44 -0.02 0.44 -0.02 0.44 0.44 -0.02 0.44 0.44 0.44 0.44 0.44 -0.02 0.44 0.44
65 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
66 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
67 0.55 0.55 -0.02 -0.02 0.55 0.55 0.55 0.55 -0.02 0.55 -0.02 -0.02 0.55 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.55
68 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
69 -0.29 -0.62 -0.29 0.30 -0.62 -0.62 -0.29 -0.29 0.30 -0.62 -0.29 -0.29 -0.62 0.30 -0.29 -0.62 0.30 -0.29 -0.29 0.30
70 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
71 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
72 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 0.62 0.62 0.62 0.62
73 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
74 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
75 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
76 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
77 0.07 0.66 0.07 0.66 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.66 0.07 0.07 0.66 0.07 0.07 0.07
78 -0.28 -0.28 0.29 0.29 -0.28 -0.28 -0.28 -0.28 0.29 -0.28 -0.28 0.29 -0.28 -0.28 -0.28 -0.28 0.29 0.29 -0.28 0.29
79 0.16 0.16 0.16 0.71 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.71 0.16 0.16 0.16 0.16 0.16 0.16 0.16
80 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 0.16 -0.38 -0.38 0.16 -0.38 -0.38
81 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
82 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
83 0.62 -0.32 -0.32 -0.32 -0.32 -0.32 -0.32 0.62 0.62 -0.32 -0.32 -0.32 -0.32 -0.32 0.62 0.62 0.62 -0.32 0.62 0.62
84 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
85 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
86 -0.94 -0.94 0.56 0.56 -0.94 -0.94 -0.94 0.56 0.56 -0.94 -0.94 -0.94 -0.94 -0.94 0.56 -0.94 0.56 -0.94 0.56 0.56
87 -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
88 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
89 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
90 0.62 0.62 0.62 0.62 0.62 0.62 0.09 0.62 -0.43 0.62 0.62 0.09 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.09
91 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
92 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68
#Reported_Model_Average 0.359 0.410 0.425 0.421 0.378 0.361 0.356 0.424 0.417 0.400 0.401 0.367 0.398 0.410 0.435 0.391 0.431 0.370 0.407 0.412
#Overall_Average_Reported 0.399
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 0 0 0 0 0 0 0 0 0 0 0 0
3.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
4.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
5.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
6.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
7.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
8.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
9.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
10.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
11.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
12.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
13.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
15.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
16.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
17.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
18.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
19.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1
20.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1
21.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
22.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
23.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
24.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
25.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
26.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
27.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
28.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
29.000 0 0 0 1 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0
30.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
31.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
32.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
34.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
35.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
36.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
37.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
38.000 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
40.000 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1
41.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
42.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
43.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
44.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
45.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
46.000 0 0 0 1 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0
47.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
51.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
52.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
53.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
54.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
55.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
56.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
57.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
58.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
59.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
60.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
61.000 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
64.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
65.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
66.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
67.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1
68.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
69.000 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1
70.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
71.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
72.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
73.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
74.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
75.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
76.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
77.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
78.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
79.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1
80.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
81.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
82.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
83.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
84.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
85.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
86.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
87.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
88.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
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 0 0 0 0 0 0 0 0 0 0 0
91.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
92.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.022 0.000 0.022 0.044 0.044 0.022 0.022 0.033 0.000 0.022 0.044 0.022 0.022 0.022 0.044 0.022 0.044 0.044 0.066 0.088
#Overall_Average_Reported 0.032
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.412: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177368 potential dots:11090.0 A^2:1 bumps:1 bumps B<40:714.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
#sum2 ::0.00 clashscore : 0.00 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177404 potential dots:11090.0 A^2:0 bumps:0 bumps B<40:716.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.423: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177716 potential dots:11110.0 A^2:1 bumps:1 bumps B<40:719 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 46 LEU 1HB :A 29 PHE 2HB : -0.446: 0
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.430: 0
#sum2 ::1.29 clashscore : 1.29 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177301 potential dots:11080.0 A^2:2 bumps:2 bumps B<40:686.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 42 THR HG1 :A 39 TYR HD1 : -0.429: 0
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.407: 0
#sum2 ::1.29 clashscore : 1.29 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177831 potential dots:11110.0 A^2:2 bumps:2 bumps B<40:707.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 46 LEU 1HB :A 29 PHE 2HB : -0.423: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177541 potential dots:11100.0 A^2:1 bumps:1 bumps B<40:708.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.418: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177649 potential dots:11100.0 A^2:1 bumps:1 bumps B<40:697.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 94 HIS CD2 :A 94 HIS O : -0.728: 0
: 1549:A 94 HIS O :A 94 HIS CG : -0.458: 0
: 1549:A 94 HIS 2HB :A 90 GLU HA : -0.402: 0
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.427: 0
#sum2 ::2.58 clashscore : 2.58 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177475 potential dots:11090.0 A^2:4 bumps:4 bumps B<40:693.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
#sum2 ::0.00 clashscore : 0.00 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177338 potential dots:11080.0 A^2:0 bumps:0 bumps B<40:706.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.432: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177651 potential dots:11100.0 A^2:1 bumps:1 bumps B<40:716.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.421: 0
: 1549:A 67 ILE 3HG2 :A 79 LEU CD1 : -0.400: 0
#sum2 ::1.29 clashscore : 1.29 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177410 potential dots:11090.0 A^2:2 bumps:2 bumps B<40:703.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.422: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177598 potential dots:11100.0 A^2:1 bumps:1 bumps B<40:702.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.414: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177586 potential dots:11100.0 A^2:1 bumps:1 bumps B<40:699.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 46 LEU 1HB :A 29 PHE 2HB : -0.404: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177638 potential dots:11100.0 A^2:1 bumps:1 bumps B<40:715.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.405: 0
: 1549:A 46 LEU 1HB :A 29 PHE 2HB : -0.405: 0
#sum2 ::1.29 clashscore : 1.29 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177490 potential dots:11090.0 A^2:2 bumps:2 bumps B<40:716.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.427: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177442 potential dots:11090.0 A^2:1 bumps:1 bumps B<40:708.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.442: 0
: 1549:A 79 LEU CD1 :A 67 ILE 3HG2 : -0.418: 0
#sum2 ::1.29 clashscore : 1.29 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177401 potential dots:11090.0 A^2:2 bumps:2 bumps B<40:691.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 71 ARG 2HG :A 72 GLU 2HG : -0.418: 0
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.400: 0
#sum2 ::1.29 clashscore : 1.29 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177642 potential dots:11100.0 A^2:2 bumps:2 bumps B<40:702.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 19 HIS O :A 20 ASP 1HB : -0.431: 0
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.406: 0
: 1549:A 79 LEU CD1 :A 67 ILE 3HG2 : -0.403: 0
#sum2 ::1.94 clashscore : 1.94 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177596 potential dots:11100.0 A^2:3 bumps:3 bumps B<40:712.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 40 VAL 2HG2 :A 69 VAL 3HG2 : -0.471: 0
: 1549:A 19 HIS O :A 20 ASP 1HB : -0.451: 0
: 1549:A 88 LYS 1HE :A 85 ALA HA : -0.429: 0
: 1549:A 79 LEU CD1 :A 67 ILE 3HG2 : -0.404: 0
#sum2 ::2.58 clashscore : 2.58 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177575 potential dots:11100.0 A^2:4 bumps:4 bumps B<40:674.7 score
Output from PDB validation software
Summary from PDB validation
May. 10, 23:37:47 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
none
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.016 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 1.0 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
6.2 HIS A 97 6 N - CA - C 117.4 111.2
6.7 HIS A 97 6 C - N - CA 128.4 121.7
-5.7 HIS A 99 10 N - CA - C 105.5 111.2
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 14 1HE2
1 A GLN 14 2HE2
1 A ASN 21 1HD2
1 A ASN 21 2HD2
1 A GLN 65 1HE2
1 A GLN 65 2HE2
1 A GLN 76 1HE2
1 A GLN 76 2HE2
1 A GLN 83 1HE2
1 A GLN 83 2HE2
2 A GLN 14 1HE2
2 A GLN 14 2HE2
2 A ASN 21 1HD2
2 A ASN 21 2HD2
2 A GLN 65 1HE2
2 A GLN 65 2HE2
2 A GLN 76 1HE2
2 A GLN 76 2HE2
2 A GLN 83 1HE2
2 A GLN 83 2HE2
3 A GLN 14 1HE2
3 A GLN 14 2HE2
3 A ASN 21 1HD2
3 A ASN 21 2HD2
3 A GLN 65 1HE2
3 A GLN 65 2HE2
3 A GLN 76 1HE2
3 A GLN 76 2HE2
3 A GLN 83 1HE2
3 A GLN 83 2HE2
4 A GLN 14 1HE2
4 A GLN 14 2HE2
4 A ASN 21 1HD2
4 A ASN 21 2HD2
4 A GLN 65 1HE2
4 A GLN 65 2HE2
4 A GLN 76 1HE2
4 A GLN 76 2HE2
4 A GLN 83 1HE2
4 A GLN 83 2HE2
5 A GLN 14 1HE2
5 A GLN 14 2HE2
5 A ASN 21 1HD2
5 A ASN 21 2HD2
5 A GLN 65 1HE2
5 A GLN 65 2HE2
5 A GLN 76 1HE2
5 A GLN 76 2HE2
5 A GLN 83 1HE2
5 A GLN 83 2HE2
6 A GLN 14 1HE2
6 A GLN 14 2HE2
6 A ASN 21 1HD2
6 A ASN 21 2HD2
6 A GLN 65 1HE2
6 A GLN 65 2HE2
6 A GLN 76 1HE2
6 A GLN 76 2HE2
6 A GLN 83 1HE2
6 A GLN 83 2HE2
7 A GLN 14 1HE2
7 A GLN 14 2HE2
7 A ASN 21 1HD2
7 A ASN 21 2HD2
7 A GLN 65 1HE2
7 A GLN 65 2HE2
7 A GLN 76 1HE2
7 A GLN 76 2HE2
7 A GLN 83 1HE2
7 A GLN 83 2HE2
8 A GLN 14 1HE2
8 A GLN 14 2HE2
8 A ASN 21 1HD2
8 A ASN 21 2HD2
8 A GLN 65 1HE2
8 A GLN 65 2HE2
8 A GLN 76 1HE2
8 A GLN 76 2HE2
8 A GLN 83 1HE2
8 A GLN 83 2HE2
9 A GLN 14 1HE2
9 A GLN 14 2HE2
9 A ASN 21 1HD2
9 A ASN 21 2HD2
9 A GLN 65 1HE2
9 A GLN 65 2HE2
9 A GLN 76 1HE2
9 A GLN 76 2HE2
9 A GLN 83 1HE2
9 A GLN 83 2HE2
10 A GLN 14 1HE2
10 A GLN 14 2HE2
10 A ASN 21 1HD2
10 A ASN 21 2HD2
10 A GLN 65 1HE2
10 A GLN 65 2HE2
10 A GLN 76 1HE2
10 A GLN 76 2HE2
10 A GLN 83 1HE2
10 A GLN 83 2HE2
11 A GLN 14 1HE2
11 A GLN 14 2HE2
11 A ASN 21 1HD2
11 A ASN 21 2HD2
11 A GLN 65 1HE2
11 A GLN 65 2HE2
11 A GLN 76 1HE2
11 A GLN 76 2HE2
11 A GLN 83 1HE2
11 A GLN 83 2HE2
12 A GLN 14 1HE2
12 A GLN 14 2HE2
12 A ASN 21 1HD2
12 A ASN 21 2HD2
12 A GLN 65 1HE2
12 A GLN 65 2HE2
12 A GLN 76 1HE2
12 A GLN 76 2HE2
12 A GLN 83 1HE2
12 A GLN 83 2HE2
13 A GLN 14 1HE2
13 A GLN 14 2HE2
13 A ASN 21 1HD2
13 A ASN 21 2HD2
13 A GLN 65 1HE2
13 A GLN 65 2HE2
13 A GLN 76 1HE2
13 A GLN 76 2HE2
13 A GLN 83 1HE2
13 A GLN 83 2HE2
14 A GLN 14 1HE2
14 A GLN 14 2HE2
14 A ASN 21 1HD2
14 A ASN 21 2HD2
14 A GLN 65 1HE2
14 A GLN 65 2HE2
14 A GLN 76 1HE2
14 A GLN 76 2HE2
14 A GLN 83 1HE2
14 A GLN 83 2HE2
15 A GLN 14 1HE2
15 A GLN 14 2HE2
15 A ASN 21 1HD2
15 A ASN 21 2HD2
15 A GLN 65 1HE2
15 A GLN 65 2HE2
15 A GLN 76 1HE2
15 A GLN 76 2HE2
15 A GLN 83 1HE2
15 A GLN 83 2HE2
16 A GLN 14 1HE2
16 A GLN 14 2HE2
16 A ASN 21 1HD2
16 A ASN 21 2HD2
16 A GLN 65 1HE2
16 A GLN 65 2HE2
16 A GLN 76 1HE2
16 A GLN 76 2HE2
16 A GLN 83 1HE2
16 A GLN 83 2HE2
17 A GLN 14 1HE2
17 A GLN 14 2HE2
17 A ASN 21 1HD2
17 A ASN 21 2HD2
17 A GLN 65 1HE2
17 A GLN 65 2HE2
17 A GLN 76 1HE2
17 A GLN 76 2HE2
17 A GLN 83 1HE2
17 A GLN 83 2HE2
18 A GLN 14 1HE2
18 A GLN 14 2HE2
18 A ASN 21 1HD2
18 A ASN 21 2HD2
18 A GLN 65 1HE2
18 A GLN 65 2HE2
18 A GLN 76 1HE2
18 A GLN 76 2HE2
18 A GLN 83 1HE2
18 A GLN 83 2HE2
19 A GLN 14 1HE2
19 A GLN 14 2HE2
19 A ASN 21 1HD2
19 A ASN 21 2HD2
19 A GLN 65 1HE2
19 A GLN 65 2HE2
19 A GLN 76 1HE2
19 A GLN 76 2HE2
19 A GLN 83 1HE2
19 A GLN 83 2HE2
20 A GLN 14 1HE2
20 A GLN 14 2HE2
20 A ASN 21 1HD2
20 A ASN 21 2HD2
20 A GLN 65 1HE2
20 A GLN 65 2HE2
20 A GLN 76 1HE2
20 A GLN 76 2HE2
20 A GLN 83 1HE2
20 A GLN 83 2HE2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 1) HE2
ASP( 1 A 2) HD2
GLU( 1 A 4) HE2
ASP( 1 A 5) HD2
GLU( 1 A 15) HE2
HIS( 1 A 16) HD1
HIS( 1 A 19) HD1
ASP( 1 A 20) HD2
GLU( 1 A 30) HE2
GLU( 1 A 31) HE2
GLU( 1 A 34) HE2
ASP( 1 A 36) HD2
ASP( 1 A 38) HD2
HIS( 1 A 45) HD1
GLU( 1 A 51) HE2
ASP( 1 A 54) HD2
ASP( 1 A 57) HD2
ASP( 1 A 58) HD2
ASP( 1 A 61) HD2
GLU( 1 A 68) HE2
GLU( 1 A 72) HE2
GLU( 1 A 73) HE2
ASP( 1 A 78) HD2
GLU( 1 A 81) HE2
ASP( 1 A 84) HD2
GLU( 1 A 90) HE2
GLU( 1 A 93) HE2
HIS( 1 A 94) HE2
HIS( 1 A 95) HE2
HIS( 1 A 96) HD1
HIS( 1 A 97) HE2
HIS( 1 A 98) HD1
HIS( 1 A 99) HE2
GLU( 2 A 1) HE2
ASP( 2 A 2) HD2
GLU( 2 A 4) HE2
ASP( 2 A 5) HD2
GLU( 2 A 15) HE2
HIS( 2 A 16) HD1
HIS( 2 A 19) HD1
ASP( 2 A 20) HD2
GLU( 2 A 30) HE2
GLU( 2 A 31) HE2
GLU( 2 A 34) HE2
ASP( 2 A 36) HD2
ASP( 2 A 38) HD2
HIS( 2 A 45) HD1
GLU( 2 A 51) HE2
ASP( 2 A 54) HD2
ASP( 2 A 57) HD2
ASP( 2 A 58) HD2
ASP( 2 A 61) HD2
GLU( 2 A 68) HE2
GLU( 2 A 72) HE2
GLU( 2 A 73) HE2
ASP( 2 A 78) HD2
GLU( 2 A 81) HE2
ASP( 2 A 84) HD2
GLU( 2 A 90) HE2
GLU( 2 A 93) HE2
HIS( 2 A 94) HE2
HIS( 2 A 95) HE2
HIS( 2 A 96) HE2
HIS( 2 A 97) HE2
HIS( 2 A 98) HD1
HIS( 2 A 99) HD1
GLU( 3 A 1) HE2
ASP( 3 A 2) HD2
GLU( 3 A 4) HE2
ASP( 3 A 5) HD2
GLU( 3 A 15) HE2
HIS( 3 A 16) HD1
HIS( 3 A 19) HD1
ASP( 3 A 20) HD2
GLU( 3 A 30) HE2
GLU( 3 A 31) HE2
GLU( 3 A 34) HE2
ASP( 3 A 36) HD2
ASP( 3 A 38) HD2
HIS( 3 A 45) HD1
GLU( 3 A 51) HE2
ASP( 3 A 54) HD2
ASP( 3 A 57) HD2
ASP( 3 A 58) HD2
ASP( 3 A 61) HD2
GLU( 3 A 68) HE2
GLU( 3 A 72) HE2
GLU( 3 A 73) HE2
ASP( 3 A 78) HD2
GLU( 3 A 81) HE2
ASP( 3 A 84) HD2
GLU( 3 A 90) HE2
GLU( 3 A 93) HE2
HIS( 3 A 94) HE2
HIS( 3 A 95) HD1
HIS( 3 A 96) HD1
HIS( 3 A 97) HE2
HIS( 3 A 98) HD1
HIS( 3 A 99) HE2
GLU( 4 A 1) HE2
ASP( 4 A 2) HD2
GLU( 4 A 4) HE2
ASP( 4 A 5) HD2
GLU( 4 A 15) HE2
HIS( 4 A 16) HD1
HIS( 4 A 19) HD1
ASP( 4 A 20) HD2
GLU( 4 A 30) HE2
GLU( 4 A 31) HE2
GLU( 4 A 34) HE2
ASP( 4 A 36) HD2
ASP( 4 A 38) HD2
HIS( 4 A 45) HD1
GLU( 4 A 51) HE2
ASP( 4 A 54) HD2
ASP( 4 A 57) HD2
ASP( 4 A 58) HD2
ASP( 4 A 61) HD2
GLU( 4 A 68) HE2
GLU( 4 A 72) HE2
GLU( 4 A 73) HE2
ASP( 4 A 78) HD2
GLU( 4 A 81) HE2
ASP( 4 A 84) HD2
GLU( 4 A 90) HE2
GLU( 4 A 93) HE2
HIS( 4 A 94) HE2
HIS( 4 A 95) HE2
HIS( 4 A 96) HE2
HIS( 4 A 97) HE2
HIS( 4 A 98) HD1
HIS( 4 A 99) HD1
GLU( 5 A 1) HE2
ASP( 5 A 2) HD2
GLU( 5 A 4) HE2
ASP( 5 A 5) HD2
GLU( 5 A 15) HE2
HIS( 5 A 16) HD1
HIS( 5 A 19) HD1
ASP( 5 A 20) HD2
GLU( 5 A 30) HE2
GLU( 5 A 31) HE2
GLU( 5 A 34) HE2
ASP( 5 A 36) HD2
ASP( 5 A 38) HD2
HIS( 5 A 45) HD1
GLU( 5 A 51) HE2
ASP( 5 A 54) HD2
ASP( 5 A 57) HD2
ASP( 5 A 58) HD2
ASP( 5 A 61) HD2
GLU( 5 A 68) HE2
GLU( 5 A 72) HE2
GLU( 5 A 73) HE2
ASP( 5 A 78) HD2
GLU( 5 A 81) HE2
ASP( 5 A 84) HD2
GLU( 5 A 90) HE2
GLU( 5 A 93) HE2
HIS( 5 A 94) HD1
HIS( 5 A 95) HD1
HIS( 5 A 96) HE2
HIS( 5 A 97) HE2
HIS( 5 A 98) HD1
HIS( 5 A 99) HE2
GLU( 6 A 1) HE2
ASP( 6 A 2) HD2
GLU( 6 A 4) HE2
ASP( 6 A 5) HD2
GLU( 6 A 15) HE2
HIS( 6 A 16) HD1
HIS( 6 A 19) HD1
ASP( 6 A 20) HD2
GLU( 6 A 30) HE2
GLU( 6 A 31) HE2
GLU( 6 A 34) HE2
ASP( 6 A 36) HD2
ASP( 6 A 38) HD2
HIS( 6 A 45) HD1
GLU( 6 A 51) HE2
ASP( 6 A 54) HD2
ASP( 6 A 57) HD2
ASP( 6 A 58) HD2
ASP( 6 A 61) HD2
GLU( 6 A 68) HE2
GLU( 6 A 72) HE2
GLU( 6 A 73) HE2
ASP( 6 A 78) HD2
GLU( 6 A 81) HE2
ASP( 6 A 84) HD2
GLU( 6 A 90) HE2
GLU( 6 A 93) HE2
HIS( 6 A 94) HE2
HIS( 6 A 95) HE2
HIS( 6 A 96) HD1
HIS( 6 A 97) HD1
HIS( 6 A 98) HE2
HIS( 6 A 99) HD1
GLU( 7 A 1) HE2
ASP( 7 A 2) HD2
GLU( 7 A 4) HE2
ASP( 7 A 5) HD2
GLU( 7 A 15) HE2
HIS( 7 A 16) HD1
HIS( 7 A 19) HD1
ASP( 7 A 20) HD2
GLU( 7 A 30) HE2
GLU( 7 A 31) HE2
GLU( 7 A 34) HE2
ASP( 7 A 36) HD2
ASP( 7 A 38) HD2
HIS( 7 A 45) HD1
GLU( 7 A 51) HE2
ASP( 7 A 54) HD2
ASP( 7 A 57) HD2
ASP( 7 A 58) HD2
ASP( 7 A 61) HD2
GLU( 7 A 68) HE2
GLU( 7 A 72) HE2
GLU( 7 A 73) HE2
ASP( 7 A 78) HD2
GLU( 7 A 81) HE2
ASP( 7 A 84) HD2
GLU( 7 A 90) HE2
GLU( 7 A 93) HE2
HIS( 7 A 94) HD1
HIS( 7 A 95) HD1
HIS( 7 A 96) HD1
HIS( 7 A 97) HD1
HIS( 7 A 98) HD1
HIS( 7 A 99) HD1
GLU( 8 A 1) HE2
ASP( 8 A 2) HD2
GLU( 8 A 4) HE2
ASP( 8 A 5) HD2
GLU( 8 A 15) HE2
HIS( 8 A 16) HD1
HIS( 8 A 19) HD1
ASP( 8 A 20) HD2
GLU( 8 A 30) HE2
GLU( 8 A 31) HE2
GLU( 8 A 34) HE2
ASP( 8 A 36) HD2
ASP( 8 A 38) HD2
HIS( 8 A 45) HD1
GLU( 8 A 51) HE2
ASP( 8 A 54) HD2
ASP( 8 A 57) HD2
ASP( 8 A 58) HD2
ASP( 8 A 61) HD2
GLU( 8 A 68) HE2
GLU( 8 A 72) HE2
GLU( 8 A 73) HE2
ASP( 8 A 78) HD2
GLU( 8 A 81) HE2
ASP( 8 A 84) HD2
GLU( 8 A 90) HE2
GLU( 8 A 93) HE2
HIS( 8 A 94) HE2
HIS( 8 A 95) HD1
HIS( 8 A 96) HE2
HIS( 8 A 97) HE2
HIS( 8 A 98) HD1
HIS( 8 A 99) HE2
GLU( 9 A 1) HE2
ASP( 9 A 2) HD2
GLU( 9 A 4) HE2
ASP( 9 A 5) HD2
GLU( 9 A 15) HE2
HIS( 9 A 16) HD1
HIS( 9 A 19) HD1
ASP( 9 A 20) HD2
GLU( 9 A 30) HE2
GLU( 9 A 31) HE2
GLU( 9 A 34) HE2
ASP( 9 A 36) HD2
ASP( 9 A 38) HD2
HIS( 9 A 45) HD1
GLU( 9 A 51) HE2
ASP( 9 A 54) HD2
ASP( 9 A 57) HD2
ASP( 9 A 58) HD2
ASP( 9 A 61) HD2
GLU( 9 A 68) HE2
GLU( 9 A 72) HE2
GLU( 9 A 73) HE2
ASP( 9 A 78) HD2
GLU( 9 A 81) HE2
ASP( 9 A 84) HD2
GLU( 9 A 90) HE2
GLU( 9 A 93) HE2
HIS( 9 A 94) HD1
HIS( 9 A 95) HE2
HIS( 9 A 96) HD1
HIS( 9 A 97) HE2
HIS( 9 A 98) HD1
HIS( 9 A 99) HE2
GLU( 10 A 1) HE2
ASP( 10 A 2) HD2
GLU( 10 A 4) HE2
ASP( 10 A 5) HD2
GLU( 10 A 15) HE2
HIS( 10 A 16) HD1
HIS( 10 A 19) HD1
ASP( 10 A 20) HD2
GLU( 10 A 30) HE2
GLU( 10 A 31) HE2
GLU( 10 A 34) HE2
ASP( 10 A 36) HD2
ASP( 10 A 38) HD2
HIS( 10 A 45) HD1
GLU( 10 A 51) HE2
ASP( 10 A 54) HD2
ASP( 10 A 57) HD2
ASP( 10 A 58) HD2
ASP( 10 A 61) HD2
GLU( 10 A 68) HE2
GLU( 10 A 72) HE2
GLU( 10 A 73) HE2
ASP( 10 A 78) HD2
GLU( 10 A 81) HE2
ASP( 10 A 84) HD2
GLU( 10 A 90) HE2
GLU( 10 A 93) HE2
HIS( 10 A 94) HD1
HIS( 10 A 95) HE2
HIS( 10 A 96) HE2
HIS( 10 A 97) HD1
HIS( 10 A 98) HD1
HIS( 10 A 99) HE2
GLU( 11 A 1) HE2
ASP( 11 A 2) HD2
GLU( 11 A 4) HE2
ASP( 11 A 5) HD2
GLU( 11 A 15) HE2
HIS( 11 A 16) HD1
HIS( 11 A 19) HD1
ASP( 11 A 20) HD2
GLU( 11 A 30) HE2
GLU( 11 A 31) HE2
GLU( 11 A 34) HE2
ASP( 11 A 36) HD2
ASP( 11 A 38) HD2
HIS( 11 A 45) HD1
GLU( 11 A 51) HE2
ASP( 11 A 54) HD2
ASP( 11 A 57) HD2
ASP( 11 A 58) HD2
ASP( 11 A 61) HD2
GLU( 11 A 68) HE2
GLU( 11 A 72) HE2
GLU( 11 A 73) HE2
ASP( 11 A 78) HD2
GLU( 11 A 81) HE2
ASP( 11 A 84) HD2
GLU( 11 A 90) HE2
GLU( 11 A 93) HE2
HIS( 11 A 94) HD1
HIS( 11 A 95) HE2
HIS( 11 A 96) HD1
HIS( 11 A 97) HE2
HIS( 11 A 98) HD1
HIS( 11 A 99) HD1
GLU( 12 A 1) HE2
ASP( 12 A 2) HD2
GLU( 12 A 4) HE2
ASP( 12 A 5) HD2
GLU( 12 A 15) HE2
HIS( 12 A 16) HD1
HIS( 12 A 19) HD1
ASP( 12 A 20) HD2
GLU( 12 A 30) HE2
GLU( 12 A 31) HE2
GLU( 12 A 34) HE2
ASP( 12 A 36) HD2
ASP( 12 A 38) HD2
HIS( 12 A 45) HD1
GLU( 12 A 51) HE2
ASP( 12 A 54) HD2
ASP( 12 A 57) HD2
ASP( 12 A 58) HD2
ASP( 12 A 61) HD2
GLU( 12 A 68) HE2
GLU( 12 A 72) HE2
GLU( 12 A 73) HE2
ASP( 12 A 78) HD2
GLU( 12 A 81) HE2
ASP( 12 A 84) HD2
GLU( 12 A 90) HE2
GLU( 12 A 93) HE2
HIS( 12 A 94) HD1
HIS( 12 A 95) HD1
HIS( 12 A 96) HE2
HIS( 12 A 97) HD1
HIS( 12 A 98) HD1
HIS( 12 A 99) HE2
GLU( 13 A 1) HE2
ASP( 13 A 2) HD2
GLU( 13 A 4) HE2
ASP( 13 A 5) HD2
GLU( 13 A 15) HE2
HIS( 13 A 16) HD1
HIS( 13 A 19) HD1
ASP( 13 A 20) HD2
GLU( 13 A 30) HE2
GLU( 13 A 31) HE2
GLU( 13 A 34) HE2
ASP( 13 A 36) HD2
ASP( 13 A 38) HD2
HIS( 13 A 45) HD1
GLU( 13 A 51) HE2
ASP( 13 A 54) HD2
ASP( 13 A 57) HD2
ASP( 13 A 58) HD2
ASP( 13 A 61) HD2
GLU( 13 A 68) HE2
GLU( 13 A 72) HE2
GLU( 13 A 73) HE2
ASP( 13 A 78) HD2
GLU( 13 A 81) HE2
ASP( 13 A 84) HD2
GLU( 13 A 90) HE2
GLU( 13 A 93) HE2
HIS( 13 A 94) HD1
HIS( 13 A 95) HD1
HIS( 13 A 96) HD1
HIS( 13 A 97) HE2
HIS( 13 A 98) HD1
HIS( 13 A 99) HD1
GLU( 14 A 1) HE2
ASP( 14 A 2) HD2
GLU( 14 A 4) HE2
ASP( 14 A 5) HD2
GLU( 14 A 15) HE2
HIS( 14 A 16) HD1
HIS( 14 A 19) HD1
ASP( 14 A 20) HD2
GLU( 14 A 30) HE2
GLU( 14 A 31) HE2
GLU( 14 A 34) HE2
ASP( 14 A 36) HD2
ASP( 14 A 38) HD2
HIS( 14 A 45) HD1
GLU( 14 A 51) HE2
ASP( 14 A 54) HD2
ASP( 14 A 57) HD2
ASP( 14 A 58) HD2
ASP( 14 A 61) HD2
GLU( 14 A 68) HE2
GLU( 14 A 72) HE2
GLU( 14 A 73) HE2
ASP( 14 A 78) HD2
GLU( 14 A 81) HE2
ASP( 14 A 84) HD2
GLU( 14 A 90) HE2
GLU( 14 A 93) HE2
HIS( 14 A 94) HE2
HIS( 14 A 95) HE2
HIS( 14 A 96) HD1
HIS( 14 A 97) HD1
HIS( 14 A 98) HD1
HIS( 14 A 99) HD1
GLU( 15 A 1) HE2
ASP( 15 A 2) HD2
GLU( 15 A 4) HE2
ASP( 15 A 5) HD2
GLU( 15 A 15) HE2
HIS( 15 A 16) HD1
HIS( 15 A 19) HD1
ASP( 15 A 20) HD2
GLU( 15 A 30) HE2
GLU( 15 A 31) HE2
GLU( 15 A 34) HE2
ASP( 15 A 36) HD2
ASP( 15 A 38) HD2
HIS( 15 A 45) HD1
GLU( 15 A 51) HE2
ASP( 15 A 54) HD2
ASP( 15 A 57) HD2
ASP( 15 A 58) HD2
ASP( 15 A 61) HD2
GLU( 15 A 68) HE2
GLU( 15 A 72) HE2
GLU( 15 A 73) HE2
ASP( 15 A 78) HD2
GLU( 15 A 81) HE2
ASP( 15 A 84) HD2
GLU( 15 A 90) HE2
GLU( 15 A 93) HE2
HIS( 15 A 94) HE2
HIS( 15 A 95) HE2
HIS( 15 A 96) HE2
HIS( 15 A 97) HD1
HIS( 15 A 98) HD1
HIS( 15 A 99) HD1
GLU( 16 A 1) HE2
ASP( 16 A 2) HD2
GLU( 16 A 4) HE2
ASP( 16 A 5) HD2
GLU( 16 A 15) HE2
HIS( 16 A 16) HD1
HIS( 16 A 19) HD1
ASP( 16 A 20) HD2
GLU( 16 A 30) HE2
GLU( 16 A 31) HE2
GLU( 16 A 34) HE2
ASP( 16 A 36) HD2
ASP( 16 A 38) HD2
HIS( 16 A 45) HD1
GLU( 16 A 51) HE2
ASP( 16 A 54) HD2
ASP( 16 A 57) HD2
ASP( 16 A 58) HD2
ASP( 16 A 61) HD2
GLU( 16 A 68) HE2
GLU( 16 A 72) HE2
GLU( 16 A 73) HE2
ASP( 16 A 78) HD2
GLU( 16 A 81) HE2
ASP( 16 A 84) HD2
GLU( 16 A 90) HE2
GLU( 16 A 93) HE2
HIS( 16 A 94) HE2
HIS( 16 A 95) HD1
HIS( 16 A 96) HE2
HIS( 16 A 97) HE2
HIS( 16 A 98) HE2
HIS( 16 A 99) HE2
GLU( 17 A 1) HE2
ASP( 17 A 2) HD2
GLU( 17 A 4) HE2
ASP( 17 A 5) HD2
GLU( 17 A 15) HE2
HIS( 17 A 16) HD1
HIS( 17 A 19) HD1
ASP( 17 A 20) HD2
GLU( 17 A 30) HE2
GLU( 17 A 31) HE2
GLU( 17 A 34) HE2
ASP( 17 A 36) HD2
ASP( 17 A 38) HD2
HIS( 17 A 45) HD1
GLU( 17 A 51) HE2
ASP( 17 A 54) HD2
ASP( 17 A 57) HD2
ASP( 17 A 58) HD2
ASP( 17 A 61) HD2
GLU( 17 A 68) HE2
GLU( 17 A 72) HE2
GLU( 17 A 73) HE2
ASP( 17 A 78) HD2
GLU( 17 A 81) HE2
ASP( 17 A 84) HD2
GLU( 17 A 90) HE2
GLU( 17 A 93) HE2
HIS( 17 A 94) HD1
HIS( 17 A 95) HE2
HIS( 17 A 96) HE2
HIS( 17 A 97) HE2
HIS( 17 A 98) HE2
HIS( 17 A 99) HD1
GLU( 18 A 1) HE2
ASP( 18 A 2) HD2
GLU( 18 A 4) HE2
ASP( 18 A 5) HD2
GLU( 18 A 15) HE2
HIS( 18 A 16) HD1
HIS( 18 A 19) HD1
ASP( 18 A 20) HD2
GLU( 18 A 30) HE2
GLU( 18 A 31) HE2
GLU( 18 A 34) HE2
ASP( 18 A 36) HD2
ASP( 18 A 38) HD2
HIS( 18 A 45) HD1
GLU( 18 A 51) HE2
ASP( 18 A 54) HD2
ASP( 18 A 57) HD2
ASP( 18 A 58) HD2
ASP( 18 A 61) HD2
GLU( 18 A 68) HE2
GLU( 18 A 72) HE2
GLU( 18 A 73) HE2
ASP( 18 A 78) HD2
GLU( 18 A 81) HE2
ASP( 18 A 84) HD2
GLU( 18 A 90) HE2
GLU( 18 A 93) HE2
HIS( 18 A 94) HD1
HIS( 18 A 95) HD1
HIS( 18 A 96) HD1
HIS( 18 A 97) HD1
HIS( 18 A 98) HE2
HIS( 18 A 99) HE2
GLU( 19 A 1) HE2
ASP( 19 A 2) HD2
GLU( 19 A 4) HE2
ASP( 19 A 5) HD2
GLU( 19 A 15) HE2
HIS( 19 A 16) HD1
HIS( 19 A 19) HD1
ASP( 19 A 20) HD2
GLU( 19 A 30) HE2
GLU( 19 A 31) HE2
GLU( 19 A 34) HE2
ASP( 19 A 36) HD2
ASP( 19 A 38) HD2
HIS( 19 A 45) HD1
GLU( 19 A 51) HE2
ASP( 19 A 54) HD2
ASP( 19 A 57) HD2
ASP( 19 A 58) HD2
ASP( 19 A 61) HD2
GLU( 19 A 68) HE2
GLU( 19 A 72) HE2
GLU( 19 A 73) HE2
ASP( 19 A 78) HD2
GLU( 19 A 81) HE2
ASP( 19 A 84) HD2
GLU( 19 A 90) HE2
GLU( 19 A 93) HE2
HIS( 19 A 94) HE2
HIS( 19 A 95) HD1
HIS( 19 A 96) HE2
HIS( 19 A 97) HD1
HIS( 19 A 98) HD1
HIS( 19 A 99) HD1
GLU( 20 A 1) HE2
ASP( 20 A 2) HD2
GLU( 20 A 4) HE2
ASP( 20 A 5) HD2
GLU( 20 A 15) HE2
HIS( 20 A 16) HD1
HIS( 20 A 19) HD1
ASP( 20 A 20) HD2
GLU( 20 A 30) HE2
GLU( 20 A 31) HE2
GLU( 20 A 34) HE2
ASP( 20 A 36) HD2
ASP( 20 A 38) HD2
HIS( 20 A 45) HD1
GLU( 20 A 51) HE2
ASP( 20 A 54) HD2
ASP( 20 A 57) HD2
ASP( 20 A 58) HD2
ASP( 20 A 61) HD2
GLU( 20 A 68) HE2
GLU( 20 A 72) HE2
GLU( 20 A 73) HE2
ASP( 20 A 78) HD2
GLU( 20 A 81) HE2
ASP( 20 A 84) HD2
GLU( 20 A 90) HE2
GLU( 20 A 93) HE2
HIS( 20 A 94) HE2
HIS( 20 A 95) HE2
HIS( 20 A 96) HE2
HIS( 20 A 97) HE2
HIS( 20 A 98) HE2
HIS( 20 A 99) HD1
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 99) O2
HIS( 2 A 99) O2
HIS( 3 A 99) O2
HIS( 4 A 99) O2
HIS( 5 A 99) O2
HIS( 6 A 99) O2
HIS( 7 A 99) O2
HIS( 8 A 99) O2
HIS( 9 A 99) O2
HIS( 10 A 99) O2
HIS( 11 A 99) O2
HIS( 12 A 99) O2
HIS( 13 A 99) O2
HIS( 14 A 99) O2
HIS( 15 A 99) O2
HIS( 16 A 99) O2
HIS( 17 A 99) O2
HIS( 18 A 99) O2
HIS( 19 A 99) O2
HIS( 20 A 99) O2
SRR115C_R3Cons_em_bcr3.pdb: Missing KEYWDS records
SRR115C_R3Cons_em_bcr3.pdb: Missing TITLE record