Detailed results of DRR147D_R3Cons_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1362
# INTRA-RESIDUE RESTRAINTS (I=J) : 260
# SEQUENTIAL RESTRAINTS (I-J)=1 : 478
# BACKBONE-BACKBONE : 105
# BACKBONE-SIDE CHAIN : 28
# SIDE CHAIN-SIDE CHAIN : 345
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 144
# BACKBONE-BACKBONE : 24
# BACKBONE-SIDE CHAIN : 28
# SIDE CHAIN-SIDE CHAIN : 92
# LONG RANGE RESTRAINTS (I-J)>=5 : 480
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1362
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 0.0 0.0 0.0 0.0 0.0
GLY 2 0 0.0 0.0 0.0 0.0 0.0
GLU 3 0 2.0 2.0 0.0 0.0 0.0
THR 4 0 4.0 4.0 0.0 0.0 0.0
VAL 5 1 7.0 3.5 0.0 3.5 0.0
VAL 6 0 7.5 5.0 0.0 2.5 0.0
ARG 7 4 9.0 8.0 0.0 1.0 0.0
ASP 8 0 12.0 6.5 0.0 5.5 0.0
ALA 9 0 14.0 4.0 0.0 10.0 0.0
VAL 10 0 22.5 4.5 0.5 17.5 0.0
THR 11 2 13.0 4.5 0.0 8.5 0.0
ILE 12 5 26.0 5.5 3.5 17.0 0.0
GLY 13 0 9.0 4.0 0.0 5.0 0.0
LYS 14 14 22.5 7.0 3.0 12.5 0.0
PRO 15 0 15.0 11.0 4.0 0.0 0.0
ALA 16 0 17.0 6.0 4.5 6.5 0.0
GLU 17 4 9.0 5.0 3.5 0.5 0.0
GLN 18 5 12.0 6.5 5.5 0.0 0.0
LEU 19 6 30.5 5.5 6.5 18.5 0.0
TYR 20 4 12.0 5.0 1.5 5.5 0.0
ALA 21 1 7.5 4.5 2.5 0.5 0.0
VAL 22 3 10.5 2.0 2.5 6.0 0.0
TRP 23 0 0.5 0.5 0.0 0.0 0.0
ARG 24 7 2.0 2.0 0.0 0.0 0.0
ASP 25 3 2.5 2.5 0.0 0.0 0.0
LEU 26 3 12.5 5.5 0.5 6.5 0.0
PRO 27 0 6.5 6.5 0.0 0.0 0.0
GLY 28 0 3.0 2.0 1.0 0.0 0.0
LEU 29 7 6.0 0.0 2.5 3.5 0.0
PRO 30 0 0.0 0.0 0.0 0.0 0.0
LEU 31 4 1.5 0.5 1.0 0.0 0.0
LEU 32 2 6.5 2.5 2.5 1.5 0.0
MET 33 0 2.0 2.0 0.0 0.0 0.0
THR 34 0 0.0 0.0 0.0 0.0 0.0
HIS 35 0 0.0 0.0 0.0 0.0 0.0
LEU 36 0 0.0 0.0 0.0 0.0 0.0
ARG 37 2 2.5 2.5 0.0 0.0 0.0
SER 38 0 3.5 3.5 0.0 0.0 0.0
VAL 39 0 5.5 2.0 0.0 3.5 0.0
GLU 40 3 4.0 4.0 0.0 0.0 0.0
VAL 41 1 7.0 5.5 0.5 1.0 0.0
LEU 42 2 7.0 6.0 0.0 1.0 0.0
ASP 43 0 6.5 5.5 1.0 0.0 0.0
ASP 44 2 5.5 4.0 0.0 1.5 0.0
LYS 45 18 9.0 6.5 0.0 2.5 0.0
ARG 46 7 9.0 8.5 0.5 0.0 0.0
SER 47 0 8.0 5.5 0.0 2.5 0.0
ARG 48 2 2.0 1.5 0.0 0.5 0.0
TRP 49 0 0.0 0.0 0.0 0.0 0.0
THR 50 0 0.0 0.0 0.0 0.0 0.0
VAL 51 0 2.5 1.0 0.0 1.5 0.0
GLU 52 2 3.0 3.0 0.0 0.0 0.0
ALA 53 0 3.0 3.0 0.0 0.0 0.0
PRO 54 0 4.0 4.0 0.0 0.0 0.0
ALA 55 0 7.0 4.5 2.5 0.0 0.0
PRO 56 0 10.0 6.0 0.5 3.5 0.0
LEU 57 5 9.0 6.5 1.0 1.5 0.0
GLY 58 0 4.0 2.0 2.0 0.0 0.0
ALA 59 0 0.0 0.0 0.0 0.0 0.0
VAL 60 0 3.0 0.5 0.0 2.5 0.0
SER 61 0 0.5 0.5 0.0 0.0 0.0
TRP 62 0 1.5 1.5 0.0 0.0 0.0
GLU 63 3 15.0 5.0 0.0 10.0 0.0
ALA 64 0 8.5 4.0 0.0 4.5 0.0
GLU 65 2 16.5 4.0 0.0 12.5 0.0
LEU 66 1 21.0 7.0 3.0 11.0 0.0
THR 67 0 14.5 5.0 0.0 9.5 0.0
ALA 68 1 12.0 3.0 4.5 4.5 0.0
ASP 69 3 5.0 4.0 0.0 1.0 0.0
GLU 70 3 12.5 2.5 8.5 1.5 0.0
PRO 71 0 0.0 0.0 0.0 0.0 0.0
GLY 72 0 3.0 0.0 0.5 2.5 0.0
LYS 73 13 7.5 3.0 3.0 1.5 0.0
ARG 74 4 19.0 6.0 4.5 8.5 0.0
ILE 75 2 18.0 6.0 0.0 12.0 0.0
ALA 76 0 14.5 4.0 1.0 9.5 0.0
TRP 77 1 11.0 3.0 0.0 8.0 0.0
ARG 78 2 12.5 4.5 0.0 8.0 0.0
SER 79 0 6.5 2.5 0.5 3.5 0.0
LEU 80 4 36.0 7.0 2.5 26.5 0.0
PRO 81 0 8.5 8.5 0.0 0.0 0.0
GLY 82 0 4.5 2.0 2.5 0.0 0.0
ALA 83 0 2.5 1.5 0.5 0.5 0.0
ARG 84 1 1.0 1.0 0.0 0.0 0.0
ILE 85 0 0.0 0.0 0.0 0.0 0.0
GLU 86 0 0.0 0.0 0.0 0.0 0.0
ASN 87 0 2.0 2.0 0.0 0.0 0.0
SER 88 0 3.5 2.0 0.0 1.5 0.0
GLY 89 0 0.5 0.0 0.0 0.5 0.0
GLU 90 0 8.0 2.5 1.5 4.0 0.0
VAL 91 1 20.0 4.5 0.5 15.0 0.0
LEU 92 4 14.5 5.0 1.5 8.0 0.0
PHE 93 0 21.5 5.0 0.5 16.0 0.0
ARG 94 7 14.5 3.5 0.0 11.0 0.0
PRO 95 0 3.5 3.5 0.0 0.0 0.0
ALA 96 1 18.0 4.0 3.5 10.5 0.0
PRO 97 0 4.5 4.0 0.5 0.0 0.0
GLY 98 0 2.5 2.5 0.0 0.0 0.0
ALA 99 2 3.0 2.0 1.0 0.0 0.0
ARG 100 9 8.5 5.0 3.0 0.5 0.0
GLY 101 0 13.0 5.5 0.0 7.5 0.0
THR 102 1 17.5 4.5 1.0 12.0 0.0
GLU 103 6 27.0 7.5 5.0 14.5 0.0
VAL 104 1 27.0 7.0 1.5 18.5 0.0
VAL 105 1 24.5 4.5 5.0 15.0 0.0
VAL 106 1 11.0 5.0 0.5 5.5 0.0
ARG 107 2 5.5 4.5 0.0 1.0 0.0
LEU 108 0 7.5 3.5 2.0 2.0 0.0
THR 109 0 5.5 3.0 0.0 2.5 0.0
TYR 110 0 9.5 5.0 2.0 2.5 0.0
ARG 111 6 3.5 3.5 0.0 0.0 0.0
PRO 112 0 0.0 0.0 0.0 0.0 0.0
PRO 113 0 0.0 0.0 0.0 0.0 0.0
GLY 114 0 0.0 0.0 0.0 0.0 0.0
GLY 115 0 0.5 0.5 0.0 0.0 0.0
SER 116 0 3.0 2.0 1.0 0.0 0.0
ALA 117 1 2.0 2.0 0.0 0.0 0.0
GLY 118 0 1.5 1.5 0.0 0.0 0.0
ALA 119 0 3.5 2.5 1.0 0.0 0.0
VAL 120 1 4.0 2.5 1.5 0.0 0.0
ILE 121 0 2.5 2.5 0.0 0.0 0.0
ALA 122 0 2.0 2.0 0.0 0.0 0.0
ARG 123 4 4.5 3.0 1.5 0.0 0.0
MET 124 0 2.5 2.5 0.0 0.0 0.0
PHE 125 0 0.0 0.0 0.0 0.0 0.0
ASN 126 0 0.0 0.0 0.0 0.0 0.0
GLN 127 0 0.0 0.0 0.0 0.0 0.0
GLU 128 0 0.0 0.0 0.0 0.0 0.0
PRO 129 0 0.0 0.0 0.0 0.0 0.0
SER 130 0 0.0 0.0 0.0 0.0 0.0
GLN 131 0 0.0 0.0 0.0 0.0 0.0
GLN 132 0 0.0 0.0 0.0 0.0 0.0
LEU 133 0 0.0 0.0 0.0 0.0 0.0
ARG 134 2 0.5 0.5 0.0 0.0 0.0
ASP 135 0 2.0 2.0 0.0 0.0 0.0
ASP 136 0 2.0 2.0 0.0 0.0 0.0
LEU 137 3 16.5 3.5 2.0 11.0 0.0
MET 138 4 6.5 4.5 1.5 0.5 0.0
ARG 139 2 4.5 4.5 0.0 0.0 0.0
PHE 140 0 19.0 5.0 4.0 10.0 0.0
LYS 141 5 14.0 5.5 1.5 7.0 0.0
ARG 142 10 8.0 6.5 0.5 1.0 0.0
GLU 143 9 15.0 5.5 9.5 0.0 0.0
GLN 144 8 15.5 5.5 0.0 10.0 0.0
GLU 145 3 9.0 5.0 0.0 4.0 0.0
LEU 146 1 10.5 4.0 6.5 0.0 0.0
GLY 147 0 2.5 2.0 0.5 0.0 0.0
LEU 148 3 1.5 1.5 0.0 0.0 0.0
GLU 149 3 1.5 1.5 0.0 0.0 0.0
HIS 150 0 0.0 0.0 0.0 0.0 0.0
HIS 151 0 0.0 0.0 0.0 0.0 0.0
HIS 152 0 0.0 0.0 0.0 0.0 0.0
HIS 153 0 0.0 0.0 0.0 0.0 0.0
HIS 154 0 0.0 0.0 0.0 0.0 0.0
HIS 155 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 260 1102.0 478.0 144.0 480.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1362.0
List of conformationally-resticting NOE constraints
assign ((resid 3 and name HB2 )) ( (resid 4 and name HN )) 5.24 5.24 0.00
assign ((resid 3 and name HB1 )) ( (resid 4 and name HN )) 5.24 5.24 0.00
assign ((resid 4 and name HA )) ( (resid 5 and name HN )) 3.12 3.12 0.00
assign ((resid 6 and name HA )) ( (resid 7 and name HN )) 3.05 3.05 0.00
assign ((resid 6 and name HB )) ( (resid 7 and name HN )) 5.28 5.28 0.00
assign ((resid 7 and name HA )) ( (resid 8 and name HN )) 3.26 3.26 0.00
assign ((resid 7 and name HB2 )) ( (resid 8 and name HN )) 4.52 4.52 0.00
assign ((resid 7 and name HB1 )) ( (resid 8 and name HN )) 4.52 4.52 0.00
assign ((resid 8 and name HN )) ( (resid 9 and name HN )) 5.35 5.35 0.00
assign ((resid 8 and name HB2 )) ( (resid 9 and name HN )) 4.78 4.78 0.00
assign ((resid 8 and name HB1 )) ( (resid 9 and name HN )) 4.78 4.78 0.00
assign ((resid 9 and name HA )) ( (resid 10 and name HN )) 3.30 3.30 0.00
assign ((resid 10 and name HN )) ( (resid 11 and name HN )) 4.88 4.88 0.00
assign ((resid 10 and name HA )) ( (resid 11 and name HN )) 3.34 3.34 0.00
assign ((resid 10 and name HB )) ( (resid 11 and name HN )) 3.23 3.23 0.00
assign ((resid 11 and name HA )) ( (resid 12 and name HN )) 3.34 3.34 0.00
assign ((resid 11 and name HB )) ( (resid 12 and name HN )) 4.60 4.60 0.00
assign ((resid 12 and name HA )) ( (resid 13 and name HN )) 3.05 3.05 0.00
assign ((resid 12 and name HB )) ( (resid 13 and name HN )) 5.03 5.03 0.00
assign ((resid 13 and name HN )) ( (resid 14 and name HN )) 5.06 5.06 0.00
assign ((resid 15 and name HB2 )) ( (resid 16 and name HN )) 3.59 3.59 0.00
assign ((resid 15 and name HB1 )) ( (resid 16 and name HN )) 3.98 3.98 0.00
assign ((resid 17 and name HB1 )) ( (resid 18 and name HN )) 4.09 4.09 0.00
assign ((resid 18 and name HN )) ( (resid 19 and name HN )) 3.23 3.23 0.00
assign ((resid 18 and name HB2 )) ( (resid 19 and name HN )) 4.45 4.45 0.00
assign ((resid 18 and name HB1 )) ( (resid 19 and name HN )) 4.45 4.45 0.00
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 3.34 3.34 0.00
assign ((resid 19 and name HB2 )) ( (resid 20 and name HN )) 4.24 4.24 0.00
assign ((resid 20 and name HB2 )) ( (resid 21 and name HN )) 4.63 4.63 0.00
assign ((resid 20 and name HB1 )) ( (resid 21 and name HN )) 4.63 4.63 0.00
assign ((resid 21 and name HN )) ( (resid 22 and name HN )) 3.62 3.62 0.00
assign ((resid 23 and name HN )) ( (resid 24 and name HN )) 4.09 4.09 0.00
assign ((resid 24 and name HB2 )) ( (resid 25 and name HN )) 5.06 5.06 0.00
assign ((resid 24 and name HB1 )) ( (resid 25 and name HN )) 5.06 5.06 0.00
assign ((resid 25 and name HA )) ( (resid 26 and name HN )) 3.16 3.16 0.00
assign ((resid 27 and name HA )) ( (resid 28 and name HN )) 3.41 3.41 0.00
assign ((resid 27 and name HB2 )) ( (resid 28 and name HN )) 4.56 4.56 0.00
assign ((resid 27 and name HB1 )) ( (resid 28 and name HN )) 4.56 4.56 0.00
assign ((resid 31 and name HN )) ( (resid 32 and name HN )) 4.20 4.20 0.00
assign ((resid 32 and name HB2 )) ( (resid 33 and name HN )) 4.81 4.81 0.00
assign ((resid 32 and name HB1 )) ( (resid 33 and name HN )) 4.81 4.81 0.00
assign ((resid 37 and name HN )) ( (resid 38 and name HN )) 4.38 4.38 0.00
assign ((resid 37 and name HB2 )) ( (resid 38 and name HN )) 6.00 6.00 0.00
assign ((resid 37 and name HB1 )) ( (resid 38 and name HN )) 6.00 6.00 0.00
assign ((resid 38 and name HB2 )) ( (resid 39 and name HN )) 4.99 4.99 0.00
assign ((resid 38 and name HB1 )) ( (resid 39 and name HN )) 4.99 4.99 0.00
assign ((resid 39 and name HB )) ( (resid 40 and name HN )) 4.60 4.60 0.00
assign ((resid 40 and name HA )) ( (resid 41 and name HN )) 2.90 2.90 0.00
assign ((resid 40 and name HB2 )) ( (resid 41 and name HN )) 5.42 5.42 0.00
assign ((resid 40 and name HB1 )) ( (resid 41 and name HN )) 5.42 5.42 0.00
assign ((resid 41 and name HA )) ( (resid 42 and name HN )) 3.34 3.34 0.00
assign ((resid 42 and name HN )) ( (resid 43 and name HN )) 3.05 3.05 0.00
assign ((resid 42 and name HB2 )) ( (resid 43 and name HN )) 3.84 3.84 0.00
assign ((resid 42 and name HB1 )) ( (resid 43 and name HN )) 3.84 3.84 0.00
assign ((resid 43 and name HA )) ( (resid 44 and name HN )) 3.37 3.37 0.00
assign ((resid 46 and name HA )) ( (resid 47 and name HN )) 2.83 2.83 0.00
assign ((resid 46 and name HB2 )) ( (resid 47 and name HN )) 4.13 4.13 0.00
assign ((resid 46 and name HB1 )) ( (resid 47 and name HN )) 4.13 4.13 0.00
assign ((resid 47 and name HB2 )) ( (resid 48 and name HN )) 4.52 4.52 0.00
assign ((resid 47 and name HB1 )) ( (resid 48 and name HN )) 4.52 4.52 0.00
assign ((resid 52 and name HA )) ( (resid 53 and name HN )) 3.48 3.48 0.00
assign ((resid 54 and name HA )) ( (resid 55 and name HN )) 3.01 3.01 0.00
assign ((resid 57 and name HN )) ( (resid 58 and name HN )) 3.73 3.73 0.00
assign ((resid 62 and name HA )) ( (resid 63 and name HN )) 3.30 3.30 0.00
assign ((resid 62 and name HB2 )) ( (resid 63 and name HN )) 3.77 3.77 0.00
assign ((resid 62 and name HB1 )) ( (resid 63 and name HN )) 3.77 3.77 0.00
assign ((resid 63 and name HA )) ( (resid 64 and name HN )) 3.41 3.41 0.00
assign ((resid 64 and name HA )) ( (resid 65 and name HN )) 3.44 3.44 0.00
assign ((resid 65 and name HN )) ( (resid 66 and name HN )) 6.00 6.00 0.00
assign ((resid 65 and name HB2 )) ( (resid 66 and name HN )) 4.52 4.52 0.00
assign ((resid 66 and name HB1 )) ( (resid 67 and name HN )) 6.00 6.00 0.00
assign ((resid 67 and name HN )) ( (resid 68 and name HN )) 3.05 3.05 0.00
assign ((resid 67 and name HB )) ( (resid 68 and name HN )) 5.03 5.03 0.00
assign ((resid 68 and name HA )) ( (resid 69 and name HN )) 2.87 2.87 0.00
assign ((resid 69 and name HA )) ( (resid 70 and name HN )) 3.23 3.23 0.00
assign ((resid 69 and name HB2 )) ( (resid 70 and name HN )) 5.64 5.64 0.00
assign ((resid 69 and name HB1 )) ( (resid 70 and name HN )) 5.64 5.64 0.00
assign ((resid 73 and name HN )) ( (resid 74 and name HN )) 2.90 2.90 0.00
assign ((resid 73 and name HB1 )) ( (resid 74 and name HN )) 3.98 3.98 0.00
assign ((resid 74 and name HA )) ( (resid 75 and name HN )) 3.16 3.16 0.00
assign ((resid 74 and name HB2 )) ( (resid 75 and name HN )) 6.00 6.00 0.00
assign ((resid 74 and name HB1 )) ( (resid 75 and name HN )) 6.00 6.00 0.00
assign ((resid 75 and name HA )) ( (resid 76 and name HN )) 3.26 3.26 0.00
assign ((resid 76 and name HA )) ( (resid 77 and name HN )) 3.44 3.44 0.00
assign ((resid 77 and name HA )) ( (resid 78 and name HN )) 3.44 3.44 0.00
assign ((resid 77 and name HB2 )) ( (resid 78 and name HN )) 3.95 3.95 0.00
assign ((resid 77 and name HB1 )) ( (resid 78 and name HN )) 3.95 3.95 0.00
assign ((resid 78 and name HA )) ( (resid 79 and name HN )) 3.30 3.30 0.00
assign ((resid 81 and name HB2 )) ( (resid 82 and name HN )) 4.49 4.49 0.00
assign ((resid 87 and name HA )) ( (resid 88 and name HN )) 3.37 3.37 0.00
assign ((resid 87 and name HB2 )) ( (resid 88 and name HN )) 4.74 4.74 0.00
assign ((resid 87 and name HB1 )) ( (resid 88 and name HN )) 4.74 4.74 0.00
assign ((resid 91 and name HA )) ( (resid 92 and name HN )) 3.48 3.48 0.00
assign ((resid 92 and name HA )) ( (resid 93 and name HN )) 3.48 3.48 0.00
assign ((resid 93 and name HN )) ( (resid 94 and name HN )) 5.14 5.14 0.00
assign ((resid 93 and name HB1 )) ( (resid 94 and name HN )) 6.00 6.00 0.00
assign ((resid 95 and name HA )) ( (resid 96 and name HN )) 2.87 2.87 0.00
assign ((resid 95 and name HB1 )) ( (resid 96 and name HN )) 4.20 4.20 0.00
assign ((resid 97 and name HA )) ( (resid 98 and name HN )) 2.76 2.76 0.00
assign ((resid 97 and name HB2 )) ( (resid 98 and name HN )) 4.13 4.13 0.00
assign ((resid 98 and name HN )) ( (resid 99 and name HN )) 3.34 3.34 0.00
assign ((resid 99 and name HA )) ( (resid 100 and name HN )) 3.41 3.41 0.00
assign ((resid 100 and name HN )) ( (resid 101 and name HN )) 3.37 3.37 0.00
assign ((resid 100 and name HA )) ( (resid 101 and name HN )) 3.52 3.52 0.00
assign ((resid 100 and name HB2 )) ( (resid 101 and name HN )) 4.45 4.45 0.00
assign ((resid 100 and name HB1 )) ( (resid 101 and name HN )) 4.45 4.45 0.00
assign ((resid 101 and name HA2 )) ( (resid 102 and name HN )) 3.30 3.30 0.00
assign ((resid 101 and name HA1 )) ( (resid 102 and name HN )) 3.30 3.30 0.00
assign ((resid 102 and name HA )) ( (resid 103 and name HN )) 3.16 3.16 0.00
assign ((resid 102 and name HB )) ( (resid 103 and name HN )) 5.17 5.17 0.00
assign ((resid 103 and name HA )) ( (resid 104 and name HN )) 3.34 3.34 0.00
assign ((resid 103 and name HB1 )) ( (resid 104 and name HN )) 5.28 5.28 0.00
assign ((resid 104 and name HN )) ( (resid 105 and name HN )) 5.75 5.75 0.00
assign ((resid 104 and name HA )) ( (resid 105 and name HN )) 3.34 3.34 0.00
assign ((resid 105 and name HA )) ( (resid 106 and name HN )) 3.19 3.19 0.00
assign ((resid 105 and name HB )) ( (resid 106 and name HN )) 5.06 5.06 0.00
assign ((resid 106 and name HN )) ( (resid 107 and name HN )) 4.31 4.31 0.00
assign ((resid 106 and name HA )) ( (resid 107 and name HN )) 3.48 3.48 0.00
assign ((resid 106 and name HB )) ( (resid 107 and name HN )) 5.21 5.21 0.00
assign ((resid 107 and name HB2 )) ( (resid 108 and name HN )) 6.00 6.00 0.00
assign ((resid 107 and name HB1 )) ( (resid 108 and name HN )) 6.00 6.00 0.00
assign ((resid 108 and name HA )) ( (resid 109 and name HN )) 3.30 3.30 0.00
assign ((resid 109 and name HA )) ( (resid 110 and name HN )) 3.37 3.37 0.00
assign ((resid 109 and name HB )) ( (resid 110 and name HN )) 5.42 5.42 0.00
assign ((resid 110 and name HA )) ( (resid 111 and name HN )) 3.48 3.48 0.00
assign ((resid 110 and name HB2 )) ( (resid 111 and name HN )) 5.06 5.06 0.00
assign ((resid 110 and name HB1 )) ( (resid 111 and name HN )) 5.06 5.06 0.00
assign ((resid 115 and name HN )) ( (resid 116 and name HN )) 6.00 6.00 0.00
assign ((resid 117 and name HN )) ( (resid 118 and name HN )) 3.59 3.59 0.00
assign ((resid 119 and name HN )) ( (resid 120 and name HN )) 4.27 4.27 0.00
assign ((resid 121 and name HN )) ( (resid 122 and name HN )) 4.96 4.96 0.00
assign ((resid 134 and name HN )) ( (resid 135 and name HN )) 6.00 6.00 0.00
assign ((resid 135 and name HN )) ( (resid 136 and name HN )) 4.45 4.45 0.00
assign ((resid 135 and name HB2 )) ( (resid 136 and name HN )) 6.00 6.00 0.00
assign ((resid 135 and name HB1 )) ( (resid 136 and name HN )) 6.00 6.00 0.00
assign ((resid 136 and name HN )) ( (resid 137 and name HN )) 5.64 5.64 0.00
assign ((resid 137 and name HB2 )) ( (resid 138 and name HN )) 5.35 5.35 0.00
assign ((resid 137 and name HB1 )) ( (resid 138 and name HN )) 5.35 5.35 0.00
assign ((resid 138 and name HN )) ( (resid 139 and name HN )) 5.17 5.17 0.00
assign ((resid 139 and name HB2 )) ( (resid 140 and name HN )) 4.34 4.34 0.00
assign ((resid 139 and name HB1 )) ( (resid 140 and name HN )) 4.34 4.34 0.00
assign ((resid 140 and name HB2 )) ( (resid 141 and name HN )) 6.00 6.00 0.00
assign ((resid 140 and name HB1 )) ( (resid 141 and name HN )) 6.00 6.00 0.00
assign ((resid 141 and name HN )) ( (resid 142 and name HN )) 4.24 4.24 0.00
assign ((resid 141 and name HB2 )) ( (resid 142 and name HN )) 4.63 4.63 0.00
assign ((resid 141 and name HB1 )) ( (resid 142 and name HN )) 4.63 4.63 0.00
assign ((resid 142 and name HN )) ( (resid 143 and name HN )) 3.66 3.66 0.00
assign ((resid 144 and name HN )) ( (resid 145 and name HN )) 6.00 6.00 0.00
assign ((resid 144 and name HB2 )) ( (resid 145 and name HN )) 4.27 4.27 0.00
assign ((resid 144 and name HB1 )) ( (resid 145 and name HN )) 4.27 4.27 0.00
assign ((resid 5 and name HN )) ( (resid 5 and name HB )) 3.37 3.37 0.00
assign ((resid 11 and name HN )) ( (resid 11 and name HB )) 3.16 3.16 0.00
assign ((resid 12 and name HN )) ( (resid 12 and name HB )) 3.44 3.44 0.00
assign ((resid 17 and name HN )) ( (resid 17 and name HB2 )) 3.37 3.37 0.00
assign ((resid 17 and name HN )) ( (resid 17 and name HB1 )) 3.37 3.37 0.00
assign ((resid 19 and name HN )) ( (resid 19 and name HB2 )) 3.84 3.84 0.00
assign ((resid 19 and name HN )) ( (resid 19 and name HB1 )) 3.84 3.84 0.00
assign ((resid 20 and name HN )) ( (resid 20 and name HB2 )) 3.95 3.95 0.00
assign ((resid 20 and name HN )) ( (resid 20 and name HB1 )) 3.95 3.95 0.00
assign ((resid 22 and name HN )) ( (resid 22 and name HB )) 3.26 3.26 0.00
assign ((resid 24 and name HN )) ( (resid 24 and name HB2 )) 3.98 3.98 0.00
assign ((resid 24 and name HN )) ( (resid 24 and name HB1 )) 3.98 3.98 0.00
assign ((resid 25 and name HN )) ( (resid 25 and name HB2 )) 3.30 3.30 0.00
assign ((resid 25 and name HN )) ( (resid 25 and name HB1 )) 3.30 3.30 0.00
assign ((resid 29 and name HN )) ( (resid 29 and name HB2 )) 4.02 4.02 0.00
assign ((resid 29 and name HN )) ( (resid 29 and name HB1 )) 4.02 4.02 0.00
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assign ((resid 94 and name HB2 )) ( (resid 105 and name HG1* )) 10.12 10.12 0.00
assign ((resid 94 and name HB1 )) ( (resid 105 and name HG1* )) 10.12 10.12 0.00
assign ((resid 94 and name HG* )) ( (resid 105 and name HG* )) 6.74 6.74 0.00
assign ((resid 94 and name HD* )) ( (resid 105 and name HG* )) 6.57 6.57 0.00
assign ((resid 95 and name HB* )) ( (resid 96 and name HN )) 3.98 3.98 0.00
assign ((resid 96 and name HA )) ( (resid 103 and name HB* )) 5.41 5.41 0.00
assign ((resid 96 and name HB* )) ( (resid 97 and name HG* )) 6.56 6.56 0.00
assign ((resid 96 and name HB* )) ( (resid 97 and name HD* )) 4.43 4.43 0.00
assign ((resid 96 and name HB* )) ( (resid 100 and name HB* )) 4.92 4.92 0.00
assign ((resid 96 and name HB* )) ( (resid 103 and name HB* )) 5.97 5.97 0.00
assign ((resid 96 and name HB* )) ( (resid 103 and name HG* )) 7.90 7.90 0.00
assign ((resid 97 and name HB* )) ( (resid 98 and name HN )) 3.92 3.92 0.00
assign ((resid 97 and name HB* )) ( (resid 100 and name HN )) 5.84 5.84 0.00
assign ((resid 100 and name HN )) ( (resid 100 and name HB* )) 3.42 3.42 0.00
assign ((resid 100 and name HB* )) ( (resid 101 and name HN )) 4.24 4.24 0.00
assign ((resid 101 and name HA* )) ( (resid 102 and name HA )) 5.69 5.69 0.00
assign ((resid 102 and name HG2* )) ( (resid 103 and name HB* )) 7.90 7.90 0.00
assign ((resid 103 and name HN )) ( (resid 103 and name HB* )) 3.74 3.74 0.00
assign ((resid 103 and name HN )) ( (resid 103 and name HG* )) 5.32 5.32 0.00
assign ((resid 103 and name HB* )) ( (resid 104 and name HG1* )) 7.90 7.90 0.00
assign ((resid 103 and name HB* )) ( (resid 105 and name HG* )) 8.12 8.12 0.00
assign ((resid 103 and name HB2 )) ( (resid 105 and name HG1* )) 10.12 10.12 0.00
assign ((resid 103 and name HB1 )) ( (resid 105 and name HG1* )) 10.12 10.12 0.00
assign ((resid 103 and name HG* )) ( (resid 105 and name HG* )) 6.40 6.40 0.00
assign ((resid 103 and name HG2 )) ( (resid 105 and name HG1* )) 8.43 8.43 0.00
assign ((resid 104 and name HG1* )) ( (resid 144 and name HG* )) 7.90 7.90 0.00
assign ((resid 108 and name HB* )) ( (resid 110 and name HE* )) 9.01 9.01 0.00
assign ((resid 108 and name HD2* )) ( (resid 110 and name HB* )) 7.90 7.90 0.00
assign ((resid 118 and name HA* )) ( (resid 119 and name HA )) 5.19 5.19 0.00
assign ((resid 119 and name HN )) ( (resid 120 and name HG* )) 7.96 7.96 0.00
assign ((resid 120 and name HA )) ( (resid 123 and name HB* )) 5.59 5.59 0.00
assign ((resid 137 and name HN )) ( (resid 137 and name HB* )) 3.90 3.90 0.00
assign ((resid 137 and name HA )) ( (resid 140 and name HB* )) 5.19 5.19 0.00
assign ((resid 138 and name HA )) ( (resid 141 and name HB* )) 5.33 5.33 0.00
assign ((resid 139 and name HB* )) ( (resid 140 and name HN )) 4.16 4.16 0.00
assign ((resid 140 and name HA )) ( (resid 143 and name HB* )) 4.92 4.92 0.00
assign ((resid 140 and name HA )) ( (resid 143 and name HG* )) 6.88 6.88 0.00
assign ((resid 141 and name HN )) ( (resid 141 and name HB* )) 3.80 3.80 0.00
assign ((resid 141 and name HB* )) ( (resid 142 and name HN )) 4.26 4.26 0.00
assign ((resid 141 and name HG* )) ( (resid 142 and name HN )) 6.88 6.88 0.00
assign ((resid 142 and name HN )) ( (resid 142 and name HB* )) 3.76 3.76 0.00
assign ((resid 142 and name HN )) ( (resid 142 and name HG* )) 4.90 4.90 0.00
assign ((resid 142 and name HG* )) ( (resid 143 and name HN )) 5.10 5.10 0.00
assign ((resid 143 and name HN )) ( (resid 143 and name HB* )) 3.51 3.51 0.00
assign ((resid 143 and name HN )) ( (resid 143 and name HG* )) 4.02 4.02 0.00
assign ((resid 143 and name HA )) ( (resid 143 and name HG* )) 3.83 3.83 0.00
assign ((resid 143 and name HA )) ( (resid 146 and name HD* )) 6.00 6.00 0.00
assign ((resid 143 and name HB* )) ( (resid 146 and name HD* )) 9.45 9.45 0.00
assign ((resid 143 and name HG* )) ( (resid 146 and name HB* )) 7.69 7.69 0.00
assign ((resid 143 and name HG* )) ( (resid 146 and name HD* )) 8.38 8.38 0.00
assign ((resid 143 and name HG2 )) ( (resid 146 and name HD1* )) 10.11 10.11 0.00
assign ((resid 143 and name HG1 )) ( (resid 146 and name HD1* )) 10.11 10.11 0.00
assign ((resid 144 and name HN )) ( (resid 144 and name HB* )) 3.80 3.80 0.00
assign ((resid 144 and name HA )) ( (resid 144 and name HE2* )) 5.87 5.87 0.00
assign ((resid 144 and name HB* )) ( (resid 145 and name HN )) 4.03 4.03 0.00
assign ((resid 145 and name HN )) ( (resid 145 and name HG* )) 3.85 3.85 0.00
assign ((resid 145 and name HG* )) ( (resid 146 and name HN )) 6.88 6.88 0.00
assign ((resid 146 and name HN )) ( (resid 146 and name HB* )) 3.77 3.77 0.00
assign ((resid 148 and name HN )) ( (resid 148 and name HB* )) 3.54 3.54 0.00
assign ((resid 148 and name HB* )) ( (resid 149 and name HN )) 4.14 4.14 0.00
assign ((resid 149 and name HN )) ( (resid 149 and name HG* )) 5.45 5.45 0.00
list of removed NOE constraints
218-> THR 4 HN - VAL 5 HA 0.00 6.00 # NoRestrctn S [2.00 3.99] -- sequential
239-> ALA 59 HN - VAL 60 HA 0.00 4.99 # NoRestrctn S [2.00 3.99] -- sequential
434-> LEU 42 HN - LEU 42 HD1* 0.00 7.02 # NoRestrctn I [2.29 6.01] -- intra
435-> LEU 57 HN - LEU 57 HD2* 0.00 6.98 # NoRestrctn I [2.29 6.01] -- intra
441-> LEU 108 HN - LEU 108 HD1* 0.00 6.16 # NoRestrctn I [2.29 6.01] -- intra
442-> LEU 108 HN - LEU 108 HD2* 0.00 6.30 # NoRestrctn I [2.29 6.01] -- intra
458-> THR 67 HN - ALA 68 HB* 0.00 6.95 # NoRestrctn S [2.00 6.01] -- sequential
756-> LEU 19 HA - LEU 19 HD2* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
757-> LEU 19 HA - LEU 19 HD1* 0.00 6.55 # NoRestrctn I [2.11 5.99] -- intra
758-> LEU 26 HA - LEU 26 HD1* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
759-> LEU 26 HA - LEU 26 HD2* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
761-> LEU 29 HA - LEU 29 HD2* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
762-> LEU 31 HN - LEU 31 HD1* 0.00 6.23 # NoRestrctn I [2.29 6.01] -- intra
768-> LEU 32 HN - LEU 32 HD2* 0.00 6.95 # NoRestrctn I [2.29 6.01] -- intra
769-> LEU 42 HA - LEU 42 HD1* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
770-> LEU 42 HN - LEU 42 HD2* 0.00 7.02 # NoRestrctn I [2.29 6.01] -- intra
771-> LEU 42 HA - LEU 42 HD2* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
772-> LEU 57 HN - LEU 57 HD1* 0.00 6.98 # NoRestrctn I [2.29 6.01] -- intra
775-> LEU 66 HN - LEU 66 HD1* 0.00 7.02 # NoRestrctn I [2.29 6.01] -- intra
777-> LEU 66 HN - LEU 66 HD2* 0.00 7.02 # NoRestrctn I [2.29 6.01] -- intra
778-> LEU 66 HA - LEU 66 HD2* 0.00 6.33 # NoRestrctn I [2.11 5.99] -- intra
779-> ILE 75 HN - ILE 75 HD1* 0.00 7.02 # NoRestrctn I [2.29 6.01] -- intra
785-> LEU 92 HA - LEU 92 HD2* 0.00 6.91 # NoRestrctn I [2.11 5.99] -- intra
786-> LEU 137 HA - LEU 137 HD1* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
787-> LEU 137 HA - LEU 137 HD2* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
788-> LEU 146 HN - LEU 146 HD1* 0.00 7.02 # NoRestrctn I [2.29 6.01] -- intra
789-> LEU 146 HA - LEU 146 HD1* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
790-> LEU 146 HN - LEU 146 HD2* 0.00 7.02 # NoRestrctn I [2.29 6.01] -- intra
791-> LEU 146 HA - LEU 146 HD2* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
852-> ALA 16 HB* - GLU 17 HA 0.00 7.02 # NoRestrctn S [2.00 6.01] -- sequential
863-> TYR 20 HD* - ALA 21 HB* 0.00 9.15 # NoRestrctn S [2.00 5.99] -- sequential
865-> TYR 20 HN - ALA 21 HB* 0.00 7.02 # NoRestrctn S [2.00 6.01] -- sequential
891-> ALA 59 HB* - VAL 60 HA 0.00 6.23 # NoRestrctn S [2.00 6.01] -- sequential
893-> ALA 64 HB* - GLU 65 HA 0.00 7.02 # NoRestrctn S [2.00 6.01] -- sequential
916-> ALA 68 HB* - ASP 69 HA 0.00 6.77 # NoRestrctn S [2.00 6.01] -- sequential
1010-> ALA 119 HB* - VAL 120 HA 0.00 6.69 # NoRestrctn S [2.00 6.01] -- sequential
1240-> LYS 45 HB* - ARG 46 HA 0.00 6.88 # NoRestrctn S [2.00 6.01] -- sequential
1246-> ARG 46 HN - ARG 46 HD* 0.00 6.88 # NoRestrctn I [2.29 6.01] -- intra
1252-> ALA 55 HA - PRO 56 HB* 0.00 6.22 # NoRestrctn S [2.00 6.01] -- sequential
1303-> LYS 73 HN - LYS 73 HD* 0.00 6.34 # NoRestrctn I [2.29 6.01] -- intra
1321-> LEU 80 HB* - PRO 81 HD* 0.00 6.83 # NoRestrctn S [2.00 5.99] -- sequential
1332-> ALA 83 HB* - ARG 84 HD* 0.00 6.64 # NoRestrctn S [2.00 5.99] -- sequential
1381-> PHE 140 HD* - LYS 141 HB* 0.00 9.01 # NoRestrctn S [2.00 5.99] -- sequential
1383-> LYS 141 HN - LYS 141 HD* 0.00 6.88 # NoRestrctn I [2.29 6.01] -- intra
====== TOTAL ======: 44
table of distance constraints violations
Residual Violations greater than 0.10
36-> PRO 27 HA - GLY 28 HN [ 0.00 3.41] 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 - 3 [ 0.07 .. 0.15]
48-> GLU 40 HA - VAL 41 HN [ 0.00 2.90] 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.15 .. 0.20]
51-> VAL 41 HA - LEU 42 HN [ 0.00 3.34] 0.21 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.21 .. 0.23]
53-> LEU 42 HB2 - ASP 43 HN [ 0.00 3.84] 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.10]
55-> ASP 43 HA - ASP 44 HN [ 0.00 3.37] 0.00 0.14 0.00 0.13 0.10 0.00 0.07 0.00 0.00 0.17 0.08 0.00 0.00 0.00 0.17 0.00 0.00 0.04 - 8 [ 0.04 .. 0.17]
64-> TRP 62 HA - GLU 63 HN [ 0.00 3.30] 0.01 0.13 0.10 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.13 0.17 0.00 0.00 0.00 0.11 0.15 0.00 - 8 [ 0.01 .. 0.17]
65-> TRP 62 HB2 - GLU 63 HN [ 0.00 3.77] 0.42 0.00 0.00 0.00 0.00 0.21 0.05 0.08 0.00 0.51 0.00 0.00 0.05 0.69 0.00 0.00 0.00 0.00 - 7 [ 0.05 .. 0.69]
66-> TRP 62 HB3 - GLU 63 HN [ 0.00 3.77] 0.55 0.07 0.14 0.09 0.13 0.66 0.55 0.60 0.09 0.00 0.00 0.02 0.52 0.04 0.05 0.00 0.15 0.00 - 14 [ 0.02 .. 0.66]
86-> TRP 77 HB2 - ARG 78 HN [ 0.00 3.95] 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.23 0.00 0.24 0.00 0.00 0.00 0.12 0.04 0.00 - 6 [ 0.03 .. 0.24]
101-> GLY 98 HN - ALA 99 HN [ 0.00 3.34] 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.20 0.31 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.19 - 6 [ 0.17 .. 0.31]
153-> ILE 12 HN - ILE 12 HB [ 0.00 3.44] 0.00 0.00 0.00 0.35 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 [ 0.35 .. 0.35]
155-> GLU 17 HN - GLU 17 HB3 [ 0.00 3.37] 0.00 0.19 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 - 3 [ 0.12 .. 0.19]
163-> ASP 25 HN - ASP 25 HB2 [ 0.00 3.30] 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.10 0.00 0.06 0.13 0.00 0.00 0.07 0.00 0.00 - 5 [ 0.06 .. 0.13]
164-> ASP 25 HN - ASP 25 HB3 [ 0.00 3.30] 0.34 0.33 0.00 0.35 0.00 0.00 0.00 0.30 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.28 0.37 - 7 [ 0.21 .. 0.37]
166-> LEU 29 HN - LEU 29 HB3 [ 0.00 4.02] 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.04 0.00 0.10 0.00 - 4 [ 0.04 .. 0.10]
168-> LYS 45 HN - LYS 45 HB3 [ 0.00 3.59] 0.21 0.09 0.11 0.14 0.00 0.06 0.13 0.09 0.09 0.13 0.05 0.00 0.11 0.15 0.11 0.09 0.00 0.00 - 14 [ 0.05 .. 0.21]
187-> THR 11 HN - ILE 12 HN [ 0.00 4.24] 0.09 0.07 0.04 0.09 0.11 0.05 0.09 0.12 0.03 0.09 0.09 0.09 0.09 0.08 0.09 0.11 0.11 0.08 - 18 [ 0.03 .. 0.12]
191-> ARG 24 HN - ASP 25 HN [ 0.00 4.24] 0.00 0.00 0.18 0.00 0.09 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.12 0.12 0.00 0.00 0.00 - 5 [ 0.09 .. 0.18]
193-> LEU 32 HN - MET 33 HN [ 0.00 3.91] 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.36]
208-> VAL 105 HN - VAL 106 HN [ 0.00 4.27] 0.10 0.13 0.05 0.09 0.12 0.15 0.13 0.12 0.12 0.12 0.14 0.12 0.14 0.13 0.08 0.11 0.10 0.16 - 18 [ 0.05 .. 0.16]
219-> THR 4 HN - VAL 5 HB [ 0.00 6.00] 0.44 0.00 0.18 0.13 0.23 0.16 0.00 0.10 0.39 0.10 0.00 0.33 0.09 0.32 0.00 0.00 0.00 0.00 - 11 [ 0.09 .. 0.44]
235-> GLN 18 HA - VAL 22 HN [ 0.00 5.60] 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.03 0.00 0.00 0.10 0.00 0.00 0.00 - 4 [ 0.03 .. 0.10]
238-> LEU 29 HA - LEU 32 HN [ 0.00 5.35] 0.00 0.00 0.00 0.00 0.00 0.10 0.04 0.00 0.11 0.00 0.00 0.26 0.02 0.00 0.10 0.00 0.00 0.00 - 6 [ 0.02 .. 0.26]
239-> ALA 59 HN - VAL 60 HA [ 0.00 4.99] 0.00 0.04 0.19 0.00 0.03 0.00 0.00 0.00 0.13 0.00 0.00 0.14 0.19 0.02 0.17 0.00 0.18 0.06 - 10 [ 0.02 .. 0.19]
245-> LEU 66 HA - ALA 68 HN [ 0.00 3.88] 0.00 0.08 0.13 0.02 0.04 0.00 0.22 0.12 0.00 0.04 0.00 0.24 0.04 0.17 0.00 0.08 0.05 0.04 - 14 [ 0.00 .. 0.24]
249-> GLU 70 HN - ARG 74 HN [ 0.00 3.88] 0.00 0.00 0.00 0.08 0.00 0.09 0.10 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.07 .. 0.10]
256-> ALA 64 HA - LEU 80 HN [ 0.00 3.98] 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 1.05 0.00 0.00 0.00 0.00 0.00 0.02 - 4 [ 0.01 .. 1.05]
283-> SER 47 HN - ALA 64 HN [ 0.00 3.73] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.06 0.12 0.00 0.81 0.10 0.07 0.12 0.00 - 7 [ 0.06 .. 0.81]
285-> GLU 65 HN - LEU 80 HA [ 0.00 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 - 1 [ 0.25 .. 0.25]
288-> ALA 64 HA - SER 79 HN [ 0.00 5.86] 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.10 0.00 0.00 0.00 0.06 0.00 0.00 0.12 - 5 [ 0.01 .. 1.01]
306-> LYS 45 HD2 - ARG 46 HN [ 0.00 6.00] 0.00 0.00 0.06 0.03 0.00 0.00 0.00 0.11 0.13 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 - 6 [ 0.00 .. 0.98]
307-> LYS 45 HD3 - ARG 46 HN [ 0.00 6.00] 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.01 0.00 0.10 0.31 0.00 0.00 0.00 - 5 [ 0.01 .. 0.31]
316-> ARG 74 HG2 - ILE 75 HN [ 0.00 4.92] 0.06 0.06 0.04 0.05 0.00 0.00 0.00 0.01 0.06 0.08 0.12 0.02 0.09 0.00 0.00 0.04 0.00 0.05 - 12 [ 0.01 .. 0.12]
388-> GLU 65 HB2 - SER 79 HN [ 0.00 6.00] 0.00 0.00 0.11 0.06 0.03 0.06 0.17 1.26 0.10 0.11 0.07 0.00 0.00 0.38 0.01 0.10 0.00 0.00 - 13 [ 0.00 .. 1.26]
389-> GLU 65 HB3 - SER 79 HN [ 0.00 6.00] 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.11 0.00 - 4 [ 0.02 .. 0.11]
390-> LEU 57 HG - GLU 63 HN [ 0.00 6.00] 0.00 0.00 0.00 0.02 0.00 0.13 0.00 0.00 0.00 0.01 0.00 0.00 0.02 0.03 0.12 0.05 0.50 0.00 - 8 [ 0.01 .. 0.50]
446-> ASP 8 HN - LEU 137 HD2* [ 0.00 4.07] 0.03 0.00 0.00 0.00 0.00 0.00 0.15 0.06 0.00 0.00 0.00 0.00 0.50 0.00 0.12 0.00 0.00 0.00 - 6 [ 0.00 .. 0.50]
471-> VAL 10 HG1* - LEU 137 HN [ 0.00 6.01] 0.00 0.03 0.00 0.05 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.13 0.00 0.03 0.00 0.00 0.00 0.00 - 6 [ 0.00 .. 0.13]
490-> ASP 44 HN - ASP 44 HB2 [ 0.00 3.52] 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.22 0.00 0.01 0.00 0.00 0.10 0.00 0.00 0.00 0.12 - 5 [ 0.01 .. 0.22]
491-> ASP 44 HN - ASP 44 HB3 [ 0.00 3.52] 0.19 0.00 0.13 0.00 0.00 0.05 0.03 0.04 0.00 0.05 0.00 0.07 0.06 0.00 0.10 0.03 0.15 0.53 - 12 [ 0.03 .. 0.53]
502-> LEU 148 HN - LEU 148 HB3 [ 0.00 3.70] 0.00 0.00 0.00 0.00 0.41 0.00 0.01 0.00 0.42 0.03 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 - 5 [ 0.01 .. 0.42]
506-> ASP 43 HB2 - ASP 44 HN [ 0.00 3.88] 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.01 0.02 0.17 0.00 0.05 0.00 0.00 - 6 [ 0.01 .. 0.17]
507-> ASP 43 HB3 - ASP 44 HN [ 0.00 3.88] 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 - 2 [ 0.27 .. 0.27]
515-> LEU 57 HB3 - GLY 58 HN [ 0.00 4.42] 0.05 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.09 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.00 .. 0.15]
559-> LYS 45 HA - ARG 46 HA [ 0.00 4.56] 0.04 0.00 0.00 0.04 0.00 0.04 0.16 0.32 0.00 0.11 0.00 0.00 0.00 0.14 0.10 0.00 0.05 0.00 - 11 [ 0.00 .. 0.32]
571-> GLU 143 HA - LEU 146 HB3 [ 0.00 3.73] 0.00 0.00 0.00 0.06 0.13 0.11 0.33 0.51 0.00 0.00 0.08 0.00 0.35 0.00 0.00 0.14 0.12 0.06 - 10 [ 0.06 .. 0.51]
577-> LEU 66 HA - SER 79 HA [ 0.00 6.00] 0.54 0.11 0.70 0.00 0.63 1.03 0.00 0.01 0.90 0.30 0.58 0.16 0.72 0.09 0.72 0.67 0.00 0.82 - 15 [ 0.01 .. 1.03]
583-> LYS 14 HA - LYS 14 HD2 [ 0.00 4.63] 0.14 0.02 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.02 0.00 0.03 0.00 0.00 - 10 [ 0.00 .. 0.14]
597-> LYS 45 HA - LYS 45 HD2 [ 0.00 4.60] 0.00 0.00 0.22 0.00 0.20 0.21 0.18 0.00 0.21 0.00 0.00 0.04 0.00 0.00 0.25 0.00 0.00 0.04 - 8 [ 0.04 .. 0.25]
598-> LYS 45 HA - LYS 45 HD3 [ 0.00 4.60] 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.24 0.17 - 4 [ 0.03 .. 0.24]
602-> LYS 45 HA - LYS 45 HE3 [ 0.00 4.27] 0.04 0.00 0.06 0.00 0.03 0.06 0.00 0.00 0.03 0.00 0.44 0.00 0.49 0.00 0.02 0.00 0.00 0.01 - 9 [ 0.01 .. 0.49]
686-> VAL 10 HB - LEU 137 HG [ 0.00 5.03] 0.00 0.11 0.02 0.00 0.01 0.00 0.07 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.05 - 6 [ 0.01 .. 0.11]
700-> LYS 14 HD3 - LEU 26 HB2 [ 0.00 7.37] 0.00 0.00 0.00 0.03 0.16 0.00 0.00 0.03 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.18 0.12 - 6 [ 0.03 .. 0.18]
713-> LEU 66 HA - TRP 77 HB2 [ 0.00 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
717-> GLU 63 HB3 - LEU 80 HB3 [ 0.00 7.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.04 0.00 0.00 0.00 0.05 0.00 0.00 0.00 - 3 [ 0.04 .. 0.14]
725-> VAL 5 HB - THR 109 HB [ 0.00 6.00] 0.47 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.06 0.56 0.00 0.00 0.00 0.00 - 5 [ 0.03 .. 0.56]
732-> ILE 12 HG13 - GLN 144 HG2 [ 0.00 6.00] 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.18]
733-> ILE 12 HG13 - GLN 144 HG3 [ 0.00 6.00] 0.00 0.31 0.00 0.00 0.00 0.04 0.00 0.26 0.00 0.06 0.00 0.00 0.00 0.43 0.06 0.00 0.03 0.00 - 7 [ 0.03 .. 0.43]
734-> ILE 12 HB - GLU 145 HB2 [ 0.00 6.00] 0.00 0.00 0.14 0.00 0.09 0.02 0.12 0.00 0.08 0.01 0.06 0.01 0.04 0.00 0.05 0.08 0.05 0.12 - 13 [ 0.01 .. 0.14]
750-> ILE 12 HG12 - GLN 144 HG3 [ 0.00 6.00] 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 - 3 [ 0.11 .. 0.16]
751-> VAL 91 HB - VAL 104 HA [ 0.00 6.00] 0.00 0.00 0.74 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.52 0.00 0.66 0.00 - 5 [ 0.30 .. 0.74]
835-> ILE 12 HD1* - PHE 140 HE* [ 0.00 7.42] 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
859-> LEU 19 HD2* - PHE 140 HE* [ 0.00 7.21] 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 - 2 [ 0.04 .. 0.12]
876-> GLY 28 HA2 - LEU 31 HD1* [ 0.00 7.02] 0.07 0.07 0.13 0.00 0.01 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.10 0.07 0.00 0.00 0.00 0.08 - 8 [ 0.01 .. 0.13]
877-> GLY 28 HA3 - LEU 31 HD1* [ 0.00 7.02] 0.03 0.06 0.00 0.00 0.04 0.09 0.00 0.00 0.00 0.07 0.03 0.14 0.07 0.02 0.05 0.10 0.00 0.00 - 11 [ 0.02 .. 0.14]
881-> LEU 29 HA - LEU 32 HD2* [ 0.00 5.79] 0.00 0.34 0.00 0.00 0.00 0.00 0.10 0.00 0.04 0.00 0.00 0.09 0.37 0.00 0.03 0.00 0.00 0.05 - 7 [ 0.03 .. 0.37]
951-> PRO 56 HB3 - LEU 80 HD2* [ 0.00 6.44] 0.00 0.07 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.41 0.00 - 4 [ 0.04 .. 0.41]
1042-> PRO 56 HG3 - LEU 57 HD1* [ 0.00 7.02] 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.20]
1044-> GLU 63 HG2 - LEU 80 HD2* [ 0.00 7.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.04 0.31 0.01 0.20 0.00 0.00 - 5 [ 0.01 .. 0.31]
1046-> GLU 65 HG2 - LEU 80 HD1* [ 0.00 7.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 - 2 [ 0.10 .. 0.37]
1064-> LEU 66 HD1* - ARG 78 HG3 [ 0.00 7.02] 0.14 0.05 0.00 0.01 0.10 0.06 0.03 0.00 0.07 0.00 0.00 0.05 0.00 0.04 0.13 0.00 0.07 0.00 - 12 [ 0.00 .. 0.14]
1095-> MET 138 HE* - ARG 142 HN [ 0.00 7.02] 0.00 0.00 0.00 0.10 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.02 0.03 0.11 0.00 0.10 0.00 - 7 [ 0.02 .. 0.13]
1175-> LYS 14 HD2 - LEU 26 HB2 [ 0.00 7.37] 0.00 0.05 0.07 0.03 0.00 0.07 0.21 0.00 0.12 0.10 0.17 0.12 0.10 0.10 0.00 0.00 0.00 0.00 - 12 [ 0.00 .. 0.21]
1234-> ASP 43 HN - ARG 46 HB* [ 0.00 6.63] 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.13 - 3 [ 0.06 .. 0.13]
1243-> LYS 45 HE* - LEU 66 HB* [ 0.00 7.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
1258-> PRO 56 HB* - GLU 65 HN [ 0.00 6.88] 0.00 0.00 0.00 0.00 0.07 0.04 0.04 0.03 0.00 0.06 0.04 0.00 0.00 0.00 0.00 0.13 0.00 0.00 - 7 [ 0.03 .. 0.13]
1263-> LEU 57 HB* - GLU 65 HN [ 0.00 6.88] 0.00 0.00 0.05 2.03 0.07 0.08 0.03 0.09 0.00 0.13 0.80 0.00 0.06 0.00 0.26 0.03 0.09 0.00 - 12 [ 0.03 .. 2.03]
-------------------------------------------
Number of Violations greater than 0.10 13 11 14 9 15 11 15 18 16 12 10 15 11 18 17 10 19 13
-------------------------------------------
---- 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 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 4 7 11 6 11 6 9 11 10 9 5 10 5 10 11 8 13 9 8.61
0.2 - 0.5 ang: 7 3 1 2 3 3 5 4 5 2 3 4 3 5 3 1 5 2 3.39
> 0.5 ang: 2 1 2 1 1 2 1 3 1 1 2 1 3 3 3 1 1 2 1.72
Total : 43 43 40 43 43 38 45 48 46 38 32 50 45 45 51 33 40 45 42.67
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
Maximum Violation : 0.553 1.010 0.738 2.034 0.633 1.035 0.552 1.258 0.903 0.507 0.798 1.047 0.724 0.807 0.978 0.675 0.662 0.824 2.034
Max Intra Viol : 0.338 0.334 0.218 0.349 0.413 0.205 0.177 0.302 0.417 0.128 0.445 0.189 0.489 0.148 0.252 0.362 0.276 0.530 0.530
Max Seque Viol : 0.553 0.137 0.194 0.129 0.230 0.663 0.552 0.598 0.392 0.507 0.140 0.327 0.521 0.686 0.978 0.115 0.179 0.195 0.978
Max Medium Viol : 0.074 0.337 0.131 0.102 0.126 0.105 0.328 0.514 0.107 0.067 0.082 0.258 0.368 0.174 0.113 0.136 0.118 0.125 0.514
Max Long Viol : 0.542 1.010 0.738 2.034 0.633 1.035 0.370 1.258 0.903 0.304 0.798 1.047 0.724 0.807 0.717 0.675 0.662 0.824 2.034
Average Violation : 0.004 0.003 0.003 0.004 0.003 0.003 0.003 0.004 0.004 0.002 0.003 0.003 0.004 0.004 0.004 0.002 0.004 0.003 0.00339
Avge Intra Viol : 0.004 0.003 0.002 0.005 0.003 0.002 0.002 0.002 0.004 0.002 0.003 0.002 0.003 0.002 0.002 0.003 0.003 0.005 0.00281
Avge Seque Viol : 0.000 0.001 0.001 0.001 0.001 0.001 0.002 0.002 0.000 0.000 0.000 0.002 0.002 0.001 0.001 0.001 0.001 0.001 0.00093
Avge Mediu Viol : 0.016 0.005 0.007 0.005 0.010 0.014 0.009 0.013 0.013 0.013 0.005 0.009 0.009 0.015 0.016 0.004 0.007 0.005 0.00981
Avge Long Viol : 0.004 0.005 0.005 0.006 0.003 0.003 0.004 0.006 0.004 0.002 0.005 0.004 0.004 0.006 0.005 0.003 0.006 0.004 0.00435
RMS Violation : 0.034 0.033 0.031 0.057 0.026 0.037 0.026 0.045 0.034 0.021 0.032 0.034 0.035 0.040 0.040 0.024 0.031 0.032 0.03508
RMS Intra : 0.028 0.024 0.017 0.033 0.027 0.016 0.014 0.019 0.032 0.011 0.030 0.014 0.031 0.013 0.018 0.023 0.024 0.041 0.02442
RMS Sequential : 0.004 0.017 0.009 0.007 0.008 0.009 0.020 0.025 0.005 0.004 0.004 0.018 0.024 0.009 0.009 0.009 0.008 0.008 0.01265
RMS Medium range : 0.076 0.023 0.031 0.021 0.040 0.071 0.054 0.064 0.051 0.056 0.022 0.041 0.050 0.072 0.090 0.019 0.031 0.025 0.05106
RMS Long range : 0.035 0.050 0.048 0.093 0.032 0.048 0.025 0.063 0.044 0.017 0.048 0.050 0.041 0.055 0.044 0.034 0.046 0.043 0.04795
Final --global-- Summary for 18 models, 1406 NOEs/model, 25308 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 85.854
Summ sq. viol : 31.143
Maximum viol : 2.034
Average viol : 0.00339
RMSD viol : 0.03508
Std. Dev. viol : 0.03491
RMS Intra : 0.02442
RMS Seque : 0.01265
RMS Medi : 0.05106
RMS Long : 0.04795
table of dihedral angle constraints violations
8-> [ARG A 7] PSI 111.0 167.0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.1]
9-> [ASP A 8] PHI -157.0 -89.0 0.0 6.3 0.0 0.0 0.0 0.0 4.9 2.3 0.0 5.1 5.5 0.0 0.0 7.4 0.0 0.0 0.0 12.9 - 7 [ 0.0 .. 12.9]
28-> [ALA A 21] PSI -69.0 -5.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 6.7 0.0 5.0 0.0 0.0 0.0 0.0 3.4 - 4 [ 0.0 .. 6.7]
33-> [GLU A 63] PHI -153.0 -87.0 12.2 0.4 0.0 1.7 0.0 10.1 6.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.8 0.0 - 6 [ 0.0 .. 12.2]
34-> [GLU A 63] PSI 99.0 165.0 0.0 0.0 7.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 11.8 0.0 0.0 - 3 [ 0.0 .. 11.8]
37-> [GLU A 65] PHI -163.0 -109.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.6 0.0 8.5 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 8.5]
47-> [ARG A 78] PHI 179.0 -113.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14.0 0.0 0.0 0.0 0.0 5.4 0.0 - 2 [ 0.0 .. 14.0]
48-> [ARG A 78] PSI 121.0 173.0 0.0 0.0 0.0 0.0 6.5 0.0 0.0 0.0 0.0 8.4 0.8 0.0 0.0 0.7 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 8.4]
53-> [GLU A 90] PHI -163.0 -103.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.7 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.7]
61-> [ARG A 94] PHI -141.0 -77.0 0.0 0.0 0.7 0.0 0.5 3.2 0.0 0.1 1.8 0.0 0.0 3.8 1.7 0.6 0.0 0.0 0.0 0.9 - 9 [ 0.0 .. 3.8]
74-> [ARG A 107] PSI 99.0 157.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 - 1 [ 0.0 .. 4.0]
78-> [THR A 109] PSI 121.0 -179.0 0.0 0.0 0.0 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.4]
110-> [ARG A 139] PSI -57.0 -19.0 0.0 0.0 0.0 0.0 0.0 0.0 2.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.5]
128-> [MET A 1] PSI -85.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 23.1]
130-> [GLU A 3] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 2.4 - 3 [ 0.0 .. 5.0]
163-> [ALA A 16] PHI 175.0 -45.0 20.0 20.0 9.6 20.0 9.8 9.0 20.0 19.9 20.0 20.0 20.0 10.0 20.0 10.0 0.0 10.0 18.9 19.9 - 17 [ 0.0 .. 20.0]
175-> [TYR A 20] CHI2 25.0 -25.0 10.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.6]
186-> [ARG A 24] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 1.7 0.8 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 .. 1.7]
188-> [ASP A 25] PHI -175.0 65.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 - 2 [ 0.0 .. 6.0]
192-> [LEU A 26] PHI 45.0 -105.0 0.0 2.6 4.7 0.0 3.6 0.0 0.0 0.0 3.1 0.0 0.0 0.0 0.0 6.5 8.7 0.0 0.0 0.0 - 6 [ 0.0 .. 8.7]
193-> [LEU A 26] PHI 175.0 65.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.7 0.7 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 4.7]
195-> [LEU A 26] CHI1 -115.0 65.0 0.0 0.0 0.0 58.3 0.0 0.0 0.0 20.9 0.0 0.0 0.0 0.0 0.0 0.0 54.8 36.9 0.0 0.0 - 4 [ 0.0 .. 58.3]
198-> [LEU A 26] PSI 65.0 165.0 0.0 0.0 0.0 0.0 6.5 4.6 15.0 0.0 6.1 14.2 0.0 0.0 6.7 1.9 0.0 0.0 0.3 4.3 - 9 [ 0.0 .. 15.0]
199-> [LEU A 26] PSI 155.0 85.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 7.4]
210-> [LEU A 29] PSI 55.0 165.0 0.0 0.0 5.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.9 0.0 6.0 0.0 0.0 0.0 - 3 [ 0.0 .. 6.0]
211-> [LEU A 29] PSI 145.0 85.0 0.0 13.5 0.0 0.0 1.3 2.9 0.0 0.0 15.9 4.1 10.9 5.4 0.0 4.3 0.0 0.0 10.0 0.0 - 9 [ 0.0 .. 15.9]
212-> [PRO A 30] PSI 65.0 5.0 0.0 0.0 0.0 0.1 0.0 10.0 12.2 0.0 0.0 0.0 8.4 0.0 19.8 0.0 1.7 0.0 0.0 0.0 - 6 [ 0.0 .. 19.8]
214-> [LEU A 31] PHI 45.0 -45.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.4]
228-> [LEU A 32] PSI -85.0 145.0 0.0 0.0 0.0 0.0 0.0 16.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 16.6]
235-> [THR A 34] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 10.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.5]
236-> [THR A 34] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.0]
239-> [THR A 34] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 16.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 17.5 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 17.5]
253-> [ARG A 37] PHI 175.0 75.0 9.9 0.0 0.0 10.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 10.0]
260-> [SER A 38] PSI -85.0 -155.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 - 2 [ 0.0 .. 10.0]
262-> [VAL A 39] PHI 175.0 75.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.1]
267-> [GLU A 40] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.0]
272-> [GLU A 40] PSI 15.0 -165.0 0.0 0.0 0.0 8.7 4.8 0.0 0.0 0.0 0.0 5.6 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 10.0]
273-> [VAL A 41] PHI -165.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.1 - 1 [ 0.0 .. 4.1]
277-> [VAL A 41] PSI -55.0 165.0 8.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 8.2]
287-> [ASP A 43] PSI 115.0 5.0 5.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 21.4 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 21.4]
288-> [ASP A 43] PSI -85.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.4]
290-> [ASP A 44] PHI 175.0 65.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 - 1 [ 0.0 .. 10.0]
301-> [ARG A 46] PHI 175.0 75.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.8 10.0 0.0 0.0 0.0 - 3 [ 0.0 .. 10.0]
307-> [SER A 47] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 6.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.9]
314-> [ARG A 48] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.2]
315-> [TRP A 49] PHI 45.0 -45.0 9.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 9.1]
316-> [TRP A 49] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 14.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 14.6]
320-> [TRP A 49] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14.1 0.0 - 1 [ 0.0 .. 14.1]
326-> [VAL A 51] PHI 45.0 -45.0 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 0.0 0.0 0.0 - 1 [ 0.0 .. 6.0]
327-> [VAL A 51] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.5 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.5]
331-> [VAL A 51] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.0]
333-> [GLU A 52] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.0]
339-> [ALA A 53] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.0]
340-> [ALA A 53] PSI 55.0 165.0 0.0 0.0 0.0 0.0 0.0 5.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.4]
341-> [ALA A 53] PSI 145.0 85.0 0.0 0.0 0.0 0.0 0.0 0.0 18.8 0.0 2.6 3.5 21.2 0.0 0.0 3.7 0.0 13.4 0.0 0.0 - 6 [ 0.0 .. 21.2]
344-> [ALA A 55] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.6]
346-> [ALA A 55] PSI 145.0 85.0 0.0 0.0 0.8 2.0 0.0 0.0 3.1 0.0 28.8 7.6 0.0 0.0 0.0 12.4 0.0 0.0 3.4 1.2 - 8 [ 0.0 .. 28.8]
348-> [PRO A 56] PSI -55.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.9]
360-> [ALA A 59] PSI -85.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.0]
369-> [SER A 61] PSI -85.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30.7 - 2 [ 0.0 .. 30.7]
375-> [TRP A 62] PSI 125.0 5.0 0.0 0.0 0.0 0.0 0.0 16.4 6.3 8.1 0.0 0.0 0.0 0.0 2.0 23.2 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 23.2]
376-> [TRP A 62] PSI -35.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 47.2 - 3 [ 0.0 .. 47.2]
409-> [GLU A 70] PSI 145.0 85.0 0.0 24.9 2.2 0.4 0.0 0.0 5.1 26.3 0.0 3.6 5.9 8.8 5.0 0.0 27.6 0.0 1.4 15.0 - 12 [ 0.0 .. 27.6]
436-> [LEU A 80] PHI -175.0 65.0 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 0.0 0.0 0.0 0.0 3.8 - 2 [ 0.0 .. 3.8]
453-> [ILE A 85] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.4 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.4]
466-> [GLU A 86] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.0]
496-> [ALA A 99] PHI 175.0 75.0 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 1.6 - 3 [ 0.0 .. 3.4]
560-> [PHE A 125] CHI2 25.0 -25.0 0.0 0.0 0.0 17.9 0.0 0.0 0.0 7.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 17.9]
562-> [PHE A 125] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23.8 0.0 0.0 - 1 [ 0.0 .. 23.8]
564-> [ASN A 126] PHI 175.0 75.0 0.0 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.2]
569-> [GLN A 127] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.7 0.0 - 1 [ 0.0 .. 9.7]
580-> [GLU A 128] PSI 145.0 85.0 12.4 0.0 15.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 10.7 0.0 15.0 5.7 0.0 13.2 8.1 - 8 [ 0.0 .. 15.0]
597-> [GLN A 132] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39.9 - 1 [ 0.0 .. 39.9]
598-> [LEU A 133] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 21.9 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 21.9]
604-> [LEU A 133] PSI -85.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25.3 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 25.3]
627-> [PHE A 140] CHI2 25.0 -25.0 0.0 0.0 0.0 10.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 10.4]
---- 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 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 5 3 6 4 8 7 9 7 5 8 8 9 8 8 5 1 6 11 6.56
> 10. degrees : 5 3 2 5 0 7 5 4 3 3 4 3 5 6 3 4 3 6 3.94
Total : 10 8 11 12 10 15 15 14 11 12 17 13 15 17 12 5 14 18 12.72
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 0.00
Maximum Violation : 20.0 24.9 15.0 58.3 9.8 16.6 20.0 26.3 28.8 23.1 21.2 14.0 25.3 23.2 54.8 36.9 18.9 47.2 58.34
Max PHI Viol : 20.0 20.0 9.6 20.0 9.8 14.6 20.0 19.9 20.0 20.0 20.0 14.0 21.9 10.0 10.0 10.0 18.9 19.9 21.89
Max PSI Viol : 12.4 24.9 15.0 8.7 6.5 16.6 18.8 26.3 28.8 23.1 21.2 10.7 25.3 23.2 27.6 23.8 14.1 47.2 47.21
Max CHI1 Viol : 0.0 0.0 0.0 58.3 0.0 0.0 0.0 20.9 0.0 0.0 0.3 0.0 0.0 0.0 54.8 36.9 0.0 0.0 58.34
Max CHI2 Viol : 10.6 0.0 0.0 17.9 0.0 0.0 0.0 7.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 17.91
Average Violation : 0.2 0.1 0.1 0.2 0.1 0.2 0.2 0.2 0.1 0.1 0.2 0.1 0.2 0.2 0.2 0.1 0.1 0.3 0.164
Avge PHI Viol : 0.564 0.412 0.301 0.419 0.342 0.531 0.417 0.483 0.360 0.373 0.452 0.474 0.546 0.456 0.323 0.228 0.445 0.548 0.436
Avge PSI Viol : 0.422 0.490 0.507 0.265 0.346 0.685 0.734 0.531 0.605 0.662 0.652 0.511 0.697 0.798 0.565 0.554 0.515 0.981 0.606
Avge CHI1 Viol : 0.000 0.000 0.000 0.531 0.000 0.000 0.000 0.318 0.000 0.000 0.050 0.000 0.000 0.000 0.515 0.422 0.000 0.000 0.215
Avge CHI2 Viol : 0.345 0.000 0.000 0.564 0.000 0.000 0.000 0.292 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.015 0.000 0.170
RMS Violation : 1.352 1.386 0.904 2.595 0.623 1.533 1.505 1.710 1.543 1.443 1.434 1.058 1.840 1.767 2.506 1.892 1.223 2.976 1.725
RMS PHI Viol : 2.077 1.541 0.785 1.620 0.869 1.711 1.566 1.716 1.465 1.493 1.683 1.426 2.255 1.301 0.961 0.721 1.606 1.919 1.541
RMS PSI Viol : 1.270 2.242 1.616 0.709 0.828 2.475 2.518 2.318 2.681 2.420 2.242 1.467 2.790 3.282 2.417 2.354 1.742 5.647 2.510
RMS CHI1 Viol : 0.000 0.000 0.000 4.055 0.000 0.000 0.000 1.452 0.000 0.000 0.026 0.000 0.000 0.000 3.811 2.565 0.000 0.000 1.484
RMS CHI2 Viol : 1.121 0.000 0.000 2.197 0.000 0.000 0.000 0.806 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.002 0.000 0.612
Final --global-- Summary for 18 models, 656 ACOs/model, 11808 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 1933.70
Summ. Sq. Viol. : 35150.14
Max. Viol. : 58.341
Avg. Viol. : 0.16376
RMS Viol. : 1.72534
Std. Dev. Viol. : 1.71755
JPEG image for inter-residue distance constraints per residue plot
S(phi)|S(psi) V/S Residue number
Text output from PDBStat of phi psi order
# CHAIN .GT. SUM.GT.
# RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6
# -----------------------------------------------------------------------------------
MET A 1 0.304 0.860 0.695 0.491
GLY A 2 0.325 0.384
GLU A 3 0.488 0.695 0.574 0.923 0.863
THR A 4 0.983 0.999 1.000 4 4
VAL A 5 0.990 0.994 0.558 5 5
VAL A 6 0.995 0.998 0.841 6 6
ARG A 7 0.995 0.995 0.999 1.000 0.594 0.938 1.000 7 7
ASP A 8 0.988 0.996 0.825 0.888 8 8
ALA A 9 0.991 0.998 9 9
VAL A 10 0.999 1.000 0.999 10 10
THR A 11 0.998 0.999 1.000 11 11
ILE A 12 0.998 1.000 0.924 0.276 12 12
GLY A 13 0.995 0.943 13 13
LYS A 14 0.959 0.999 0.998 0.830 0.740 0.313 14 14
PRO A 15 0.997 1.000 0.983 0.968 15 15
ALA A 16 0.994 0.993 16 16
GLU A 17 1.000 0.999 0.833 0.999 0.950 17 17
GLN A 18 0.996 0.997 1.000 0.942 0.897 18 18
LEU A 19 0.999 0.994 0.999 0.999 19 19
TYR A 20 0.999 0.998 0.734 0.917 20 20
ALA A 21 0.999 0.991 21 21
VAL A 22 0.999 0.999 0.997 22 22
TRP A 23 0.995 0.997 0.659 0.347 23 23
ARG A 24 0.976 0.188 0.615 0.417 0.308 0.533 1.000
ASP A 25 0.091 0.699 0.998 0.951
LEU A 26 0.545 0.778 0.773 0.752
PRO A 27 0.979 0.535 0.887 0.825
GLY A 28 0.211 0.488
LEU A 29 0.516 0.811 0.916 0.924
PRO A 30 0.995 0.761 0.979 0.965
LEU A 31 0.248 0.725 0.973 0.620
LEU A 32 0.282 0.609 0.810 0.759
MET A 33 0.170 0.104 0.690 0.998 0.346
THR A 34 0.582 0.177 0.505
HIS A 35 0.442 0.103 0.425 0.320
LEU A 36 0.582 0.419 0.660 0.622
ARG A 37 0.202 0.396 0.525 0.922 0.685 0.689 1.000
SER A 38 0.341 0.305 0.166
VAL A 39 0.740 0.336 0.456
GLU A 40 0.652 0.487 0.853 0.854 0.877
VAL A 41 0.894 0.762 0.856
LEU A 42 0.801 0.986 0.470 0.589 42
ASP A 43 0.443 0.332 0.374 0.878
ASP A 44 0.725 0.857 0.548 0.811
LYS A 45 0.959 0.791 0.800 0.510 0.138 0.749
ARG A 46 0.490 0.965 0.569 0.813 0.307 0.589 1.000
SER A 47 0.700 0.435 0.030
ARG A 48 0.342 0.253 0.337 0.656 0.459 0.661 1.000
TRP A 49 0.237 0.149 0.559 0.197
THR A 50 0.384 0.152 0.528
VAL A 51 0.329 0.397 0.439
GLU A 52 0.586 0.611 0.738 0.998 0.959
ALA A 53 0.542 0.816
PRO A 54 0.993 0.968 0.947 0.907 54 54
ALA A 55 0.305 0.855
PRO A 56 0.992 0.985 0.913 0.842 56 56
LEU A 57 0.962 0.940 0.288 0.488 57 57
GLY A 58 0.045 0.279
ALA A 59 0.250 0.665
VAL A 60 0.698 0.277 0.444
SER A 61 0.308 0.250 0.027
TRP A 62 0.598 0.384 0.667 0.387
GLU A 63 0.911 0.980 0.631 0.341 0.754 63 63
ALA A 64 0.932 0.984 64 64
GLU A 65 0.977 0.992 0.882 0.839 0.741 65 65
LEU A 66 0.952 0.981 0.715 0.842 66 66
THR A 67 0.965 0.986 0.618 67 67
ALA A 68 0.979 0.992 68 68
ASP A 69 0.993 0.899 0.545 0.994 69
GLU A 70 0.925 0.895 0.996 0.506 0.833 70
PRO A 71 0.992 0.418 0.912 0.827
GLY A 72 0.317 0.925
LYS A 73 0.962 0.980 0.568 0.998 1.000 0.999 73 73
ARG A 74 0.991 0.995 0.999 0.952 0.574 0.623 1.000 74 74
ILE A 75 0.996 0.999 0.998 0.913 75 75
ALA A 76 0.979 0.996 76 76
TRP A 77 0.950 0.995 0.172 0.520 77 77
ARG A 78 0.967 0.965 0.317 0.832 0.476 0.871 1.000 78 78
SER A 79 0.926 0.410 0.228
LEU A 80 0.525 1.000 0.996 0.997
PRO A 81 0.989 0.992 0.892 0.816 81 81
GLY A 82 0.969 0.933 82 82
ALA A 83 0.924 0.485
ARG A 84 0.664 0.312 0.579 0.918 0.828 0.818 1.000
ILE A 85 0.629 0.420 0.372 1.000
GLU A 86 0.518 0.402 0.726 0.993 0.923
ASN A 87 0.942 0.993 0.685 0.617 87 87
SER A 88 0.940 0.993 0.289 88 88
GLY A 89 0.919 0.684
GLU A 90 0.978 0.996 0.789 0.996 0.830 90 90
VAL A 91 0.997 1.000 0.614 91 91
LEU A 92 0.995 0.998 0.978 0.987 92 92
PHE A 93 0.997 0.998 0.996 0.993 93 93
ARG A 94 0.996 1.000 0.683 0.997 0.795 0.996 1.000 94 94
PRO A 95 0.992 0.997 0.912 0.829 95 95
ALA A 96 0.966 1.000 96 96
PRO A 97 0.994 0.987 0.945 0.904 97 97
GLY A 98 0.899 0.816 98
ALA A 99 0.464 0.972
ARG A 100 0.987 0.969 0.996 0.997 0.776 0.996 1.000 100 100
GLY A 101 0.916 0.987 101 101
THR A 102 0.998 0.998 1.000 102 102
GLU A 103 0.997 0.997 0.866 0.998 0.839 103 103
VAL A 104 0.998 0.992 0.998 104 104
VAL A 105 0.997 0.999 1.000 105 105
VAL A 106 0.999 0.999 0.917 106 106
ARG A 107 0.996 0.991 0.998 0.994 0.635 0.649 1.000 107 107
LEU A 108 0.996 0.998 0.919 0.931 108 108
THR A 109 0.971 0.981 0.556 109 109
TYR A 110 0.972 0.977 0.401 0.884 110 110
ARG A 111 0.935 0.999 0.918 0.995 0.688 0.831 1.000 111 111
PRO A 112 0.995 0.999 0.939 0.883 112 112
PRO A 113 0.983 0.095 0.908 0.846
GLY A 114 0.462 0.128
GLY A 115 0.354 0.214
SER A 116 0.999 0.991 0.487 116 116
ALA A 117 1.000 0.999 117 117
GLY A 118 1.000 0.999 118 118
ALA A 119 0.999 1.000 119 119
VAL A 120 1.000 1.000 1.000 120 120
ILE A 121 1.000 1.000 1.000 1.000 121 121
ALA A 122 1.000 0.999 122 122
ARG A 123 0.999 0.996 0.866 0.998 0.934 0.992 1.000 123 123
MET A 124 1.000 0.998 0.663 0.994 0.551 124 124
PHE A 125 0.504 0.121 0.411 0.857
ASN A 126 0.394 0.092 0.671 0.889
GLN A 127 0.471 0.159 0.587 0.999 0.937
GLU A 128 0.343 0.862 0.663 0.715 0.897
PRO A 129 0.977 0.357 0.884 0.818
SER A 130 0.328 0.482 0.292
GLN A 131 0.515 0.104 0.850 0.639 0.831
GLN A 132 0.336 0.376 0.785 0.699 0.788
LEU A 133 0.507 0.615 0.827 0.808
ARG A 134 0.440 0.584 0.234 0.779 0.502 0.747 1.000
ASP A 135 1.000 0.998 0.807 0.896 135 135
ASP A 136 0.999 0.999 0.778 0.826 136 136
LEU A 137 0.999 0.998 0.930 0.998 137 137
MET A 138 1.000 0.999 0.703 0.595 0.910 138 138
ARG A 139 0.999 0.995 0.654 0.996 0.694 0.690 1.000 139 139
PHE A 140 1.000 0.998 0.704 0.855 140 140
LYS A 141 0.997 0.999 0.929 0.946 0.868 0.446 141 141
ARG A 142 0.999 0.991 0.707 0.916 0.764 0.760 1.000 142 142
GLU A 143 1.000 0.999 0.999 0.993 0.982 143 143
GLN A 144 0.997 0.996 0.695 0.626 0.795 144 144
GLU A 145 0.992 0.996 0.897 0.995 0.794 145 145
LEU A 146 0.988 0.974 0.582 0.570 146 146
GLY A 147 0.132 0.216
LEU A 148 0.476 0.284 0.526 0.589
GLU A 149 0.332 0.157 0.534 0.681 0.834
HIS A 150 0.372 0.485 0.296 0.360
HIS A 151 0.564 0.527 0.414 0.034
HIS A 152 0.645 0.326 0.513 0.608
HIS A 153 0.331 0.388 0.526 0.241
HIS A 154 0.344 0.130 0.528 0.599
HIS A 155 0.910 0.553 0.142
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 `DRR147D_R3Cons_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 1 is: 1.959
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 2 is: 3.712
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 3 is: 3.294
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 4 is: 2.398
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 5 is: 3.901
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 6 is: 2.544
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 7 is: 3.908
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 8 is: 2.619
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 9 is: 3.279
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 10 is: 2.714
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 11 is: 2.832
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 12 is: 2.177
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 13 is: 3.445
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 14 is: 3.748
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 15 is: 2.717
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 16 is: 1.592 (*)
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 17 is: 3.628
> Kabsch RMSD of backbone atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 18 is: 4.486
>
> Kabsch RMSD statistics for 18 structures:
> Mean RMSD using as refer. str. `average' for res.[4..23],[56..57],[63..68],[73..78],[81..82],[87..88],[90..97],[100..112],[116..124],[135..146], is: 3.053
> Range of RMSD values to reference struct. is 1.592 to 4.486
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 1 is: 2.458
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 2 is: 3.985
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 3 is: 3.443
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 4 is: 2.961
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 5 is: 4.150
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 6 is: 2.836
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 7 is: 4.110
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 8 is: 2.902
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 9 is: 3.692
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 10 is: 3.078
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 11 is: 3.202
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 12 is: 2.657
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 13 is: 3.620
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 14 is: 3.807
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 15 is: 2.998
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 16 is: 1.987 (*)
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 17 is: 3.878
> Kabsch RMSD of heavy atoms in res. A[4..23],A[56..57],A[63..68],A[73..78],A[81..82],A[87..88],A[90..97],A[100..112],A[116..124],A[135..146],for model 18 is: 4.612
>
> Kabsch RMSD statistics for 18 structures:
> Mean RMSD using as refer. str. `average' for res.[4..23],[56..57],[63..68],[73..78],[81..82],[87..88],[90..97],[100..112],[116..124],[135..146], is: 3.354
> Range of RMSD values to reference struct. is 1.987 to 4.612
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..155],for model 1 is: 5.042
> Kabsch RMSD of backb atoms in res. *[1..155],for model 2 is: 4.703
> Kabsch RMSD of backb atoms in res. *[1..155],for model 3 is: 5.267
> Kabsch RMSD of backb atoms in res. *[1..155],for model 4 is: 4.735
> Kabsch RMSD of backb atoms in res. *[1..155],for model 5 is: 5.182
> Kabsch RMSD of backb atoms in res. *[1..155],for model 6 is: 4.523
> Kabsch RMSD of backb atoms in res. *[1..155],for model 7 is: 5.356
> Kabsch RMSD of backb atoms in res. *[1..155],for model 8 is: 5.401
> Kabsch RMSD of backb atoms in res. *[1..155],for model 9 is: 6.120
> Kabsch RMSD of backb atoms in res. *[1..155],for model 10 is: 4.364
> Kabsch RMSD of backb atoms in res. *[1..155],for model 11 is: 4.369
> Kabsch RMSD of backb atoms in res. *[1..155],for model 12 is: 4.542
> Kabsch RMSD of backb atoms in res. *[1..155],for model 13 is: 4.543
> Kabsch RMSD of backb atoms in res. *[1..155],for model 14 is: 5.030
> Kabsch RMSD of backb atoms in res. *[1..155],for model 15 is: 4.436
> Kabsch RMSD of backb atoms in res. *[1..155],for model 16 is: 3.764 (*)
> Kabsch RMSD of backb atoms in res. *[1..155],for model 17 is: 5.139
> Kabsch RMSD of backb atoms in res. *[1..155],for model 18 is: 7.226
>
> Kabsch RMSD statistics for 18 structures:
> Mean RMSD using as refer. str. `average' for res.[1..155], is: 4.986
> Range of RMSD values to reference struct. is 3.764 to 7.226
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 1 is: 5.744
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 2 is: 5.188
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 3 is: 5.907
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 4 is: 5.575
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 5 is: 5.816
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 6 is: 5.310
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 7 is: 5.999
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 8 is: 6.126
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 9 is: 6.694
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 10 is: 5.219
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 11 is: 5.046
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 12 is: 5.254
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 13 is: 5.229
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 14 is: 5.598
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 15 is: 5.249
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 16 is: 4.620 (*)
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 17 is: 5.716
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 18 is: 7.920
>
> Kabsch RMSD statistics for 18 structures:
> Mean RMSD using as refer. str. `average' for res.[1..155], is: 5.678
> Range of RMSD values to reference struct. is 4.620 to 7.920
Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues
RMSD Values
all residues ordered residues selected residues
All backbone atoms 5.0 2.9 2.9
All heavy atoms 5.7 3.2 3.2
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 >>>----------+
| |
| DRR147D_R3Cons_em_bcr3_018.rin 0.0 1368 residues |
| |
+| Ramachandran plot: 93.7% core 4.3% allow 2.0% gener 0.0% disall |
| |
+| All Ramachandrans: 30 labelled residues (out of1368) |
+| Chi1-chi2 plots: 3 labelled residues (out of 792) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
4 0.36
5 0.36
6 0.44
7 -0.58
8 -0.73
9 -0.74
10 -0.07
11 -0.03
12 0.07
13 -2.31
14 -0.31
15 -1.04
16 -3.46
17 0.87
18 0.54
19 0.89
20 1.07
21 -0.45
22 -0.23
23 0.40
63 -0.77
64 -0.99
65 -0.51
66 -0.42
67 -0.33
68 -0.68
69 -1.60
70 -1.10
73 -2.74
74 -1.68
75 0.12
76 -0.82
77 -0.47
78 -1.00
90 -0.67
91 0.37
92 -0.34
93 -0.08
94 -0.15
95 0.33
96 -0.53
97 -0.25
100 -0.27
101 -1.52
102 0.46
103 -0.67
104 0.38
105 0.06
106 0.50
107 -0.85
108 -0.37
109 -0.07
110 0.07
111 -0.35
112 -0.19
116 1.01
117 0.95
118 1.20
119 0.96
120 0.98
121 1.01
122 0.94
123 0.65
124 1.06
135 1.15
136 1.27
137 0.99
138 1.07
139 0.94
140 1.07
141 0.93
142 0.94
143 0.74
144 0.78
145 -0.41
146 -0.15
#Reported_Model_Average -0.053
#Overall_Average_Reported -0.053
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
4 0.49
5 0.17
6 0.45
7 0.11
8 -0.65
9 -0.74
10 -0.27
11 0.34
12 -0.10
13 -2.31
14 0.21
15 -1.04
16 -3.46
17 0.84
18 0.80
19 0.89
20 0.60
21 -0.45
22 -0.58
23 0.40
63 -0.11
64 -0.99
65 -0.07
66 -0.42
67 0.08
68 -0.68
69 -0.66
70 -0.19
73 -0.85
74 -0.98
75 0.41
76 -0.82
77 -0.42
78 -0.40
90 -0.08
91 0.13
92 -0.95
93 0.25
94 0.02
95 0.33
96 -0.53
97 -0.25
100 0.39
101 -1.52
102 0.65
103 0.04
104 -0.35
105 0.26
106 0.48
107 -0.07
108 0.25
109 0.10
110 0.09
111 0.30
112 -0.19
116 0.74
117 0.95
118 1.20
119 0.96
120 0.85
121 0.95
122 0.94
123 0.82
124 0.93
135 1.02
136 0.99
137 0.58
138 0.87
139 0.92
140 0.50
141 0.74
142 0.91
143 0.95
144 0.59
145 -0.43
146 0.27
#Reported_Model_Average 0.068
#Overall_Average_Reported 0.068
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
4 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08
5 -0.74 -0.74 -0.09 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74
6 1.18 0.71 0.08 0.71 0.08 0.44 0.08 0.44 0.08 0.44 0.44 0.71 0.08 0.44 0.16 0.08 0.08 0.71
7 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
8 -0.61 -0.03 -0.61 -0.30 -0.03 -0.61 -0.03 -0.03 -0.61 -0.03 -0.61 -0.03 -0.61 -0.03 -2.08 -0.61 -0.03 -0.03
9 0.59 -0.52 -0.52 -0.52 -0.52 -0.52 0.59 -0.52 0.59 -0.52 0.59 -0.52 -0.52 -0.52 0.59 0.59 -0.52 -0.52
10 1.18 0.71 0.71 0.71 0.71 0.71 1.18 1.18 0.71 1.18 1.18 0.71 1.18 0.71 1.18 1.18 0.44 0.71
11 0.95 0.79 0.95 0.79 0.95 0.95 0.79 0.95 0.95 0.95 0.95 0.79 0.95 0.95 0.95 0.95 0.79 0.95
12 1.50 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.50 1.07 1.07 1.50 1.50 1.07
13 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
14 0.08 0.08 -2.78 0.08 0.08 0.08 0.08 0.08 -2.12 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
15 -0.11 0.64 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.44 0.44 0.25 0.44 0.64 0.44
16 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
17 0.28 0.28 0.04 0.28 0.28 0.28 -0.59 0.04 0.28 0.04 -0.59 0.04 0.04 -0.59 0.28 0.04 0.28 -0.59
18 0.25 -0.87 -0.57 -0.87 -0.57 -0.57 -0.87 0.25 -0.57 0.25 -0.57 -0.57 -0.57 -0.87 -0.57 -0.87 -0.57 -0.57
19 1.06 0.77 1.06 1.06 0.77 0.77 0.77 1.06 0.77 1.06 0.77 0.77 1.06 0.77 0.77 1.06 1.06 1.06
20 1.14 0.52 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 0.52 1.14 1.14 0.52 0.52 0.52 1.14 1.14
21 0.14 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
22 -0.09 0.66 -0.40 -0.09 0.66 0.66 0.66 0.66 -0.40 0.66 -0.09 0.66 -0.40 -0.09 1.00 -0.74 0.66 -0.40
23 1.62 0.96 1.12 1.62 1.12 1.12 1.62 1.62 1.12 1.62 1.62 1.12 1.62 1.62 1.12 1.62 1.62 1.62
63 -1.13 0.28 -0.46 -1.13 -0.46 -0.46 -0.46 -1.13 -1.13 -0.46 -0.46 0.28 -0.46 -0.46 -1.13 -2.01 -0.46 -0.46
64 0.49 0.49 -0.25 -0.25 -0.25 -0.25 -0.25 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25
65 -0.42 -0.42 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 -0.42 0.41 -1.59 -0.68
66 0.36 0.36 0.14 0.36 0.14 1.07 0.14 0.14 0.36 0.14 0.14 0.36 0.14 0.14 0.14 0.36 0.36 0.14
67 0.79 0.79 0.79 0.79 0.95 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 -0.17 0.79
68 -0.52 0.59 0.14 0.14 -0.52 0.59 -0.52 -0.52 -0.52 -0.52 -0.52 0.59 -0.52 -0.52 -0.52 -0.52 -0.52 -0.52
69 -0.03 -0.03 -0.03 -0.03 -0.61 -0.30 -0.61 -0.03 -0.03 -0.61 -0.61 -0.03 -0.61 -0.03 -0.61 -0.61 -0.61 -0.61
70 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
73 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 0.47 0.47 0.47
74 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.19 0.19 0.84 0.19 0.84 0.19 0.19 0.19
75 1.50 1.07 1.07 1.50 1.50 1.07 1.50 1.07 0.26 1.07 1.07 1.50 1.50 1.07 1.07 1.07 1.07 1.50
76 -0.52 0.59 0.59 -0.52 -0.52 0.59 0.59 -0.52 -0.52 0.59 -0.52 0.59 -0.52 -0.52 -0.52 0.59 0.59 0.59
77 0.07 0.07 0.07 0.92 0.07 0.83 0.83 0.92 0.07 0.83 0.83 0.83 0.83 0.92 0.07 0.07 0.83 0.07
78 0.84 0.19 0.19 0.19 0.84 0.84 0.19 0.84 0.84 0.19 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.19
90 0.41 -0.68 -0.42 -0.42 -0.42 -0.42 -0.42 0.41 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42
91 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 0.44 1.18 1.18 1.18 1.18 1.18 1.18
92 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -0.81 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33
93 0.96 0.96 0.96 0.96 0.96 0.96 0.96 1.32 0.96 0.96 0.96 1.32 0.96 0.96 0.96 0.96 1.32 1.32
94 0.19 -1.12 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
95 -1.01 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88
96 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
97 0.44 0.25 0.25 0.25 0.44 0.25 0.25 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.25 0.25 0.44 0.25
100 -0.41 0.24 0.24 0.24 0.24 -0.41 0.24 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 0.24 -0.41 0.24 -0.41
101 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
102 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
103 -0.42 -0.68 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42
104 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71
105 0.08 0.44 0.44 0.44 0.44 0.44 0.16 0.08 0.08 0.16 0.71 0.44 0.44 0.08 0.44 0.16 0.16 0.44
106 0.44 1.18 1.18 1.18 0.44 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.44 1.18
107 0.19 0.19 0.84 0.19 0.84 0.84 0.19 0.19 0.84 0.19 0.19 0.84 0.84 0.19 0.19 0.19 0.84 0.19
108 0.36 0.36 0.14 0.36 0.14 -1.33 1.07 1.07 0.14 0.14 -0.81 -0.81 -0.81 1.07 0.36 0.36 0.14 1.07
109 0.79 0.79 0.79 0.95 0.79 0.95 0.79 0.79 0.95 0.79 0.95 0.95 0.79 0.95 0.79 0.79 0.95 0.79
110 -0.43 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 -0.43 1.25 1.25 1.14 1.25 1.25 1.25 1.25
111 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.71 0.24 0.24 0.24 0.24 0.24 -0.41 0.71
112 0.44 0.44 0.44 -0.07 0.44 -0.07 0.64 0.44 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.64 0.44 0.44
116 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
117 0.44 0.76 0.44 0.76 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
118 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
119 0.44 0.44 -0.02 0.44 0.44 0.76 0.44 0.44 0.44 -0.02 0.44 0.44 0.44 -0.02 0.44 0.44 0.44 -0.02
120 -1.25 -0.62 -1.25 0.30 -0.62 -1.25 -0.62 -0.62 -0.62 -1.25 -0.62 -0.62 -1.25 -0.62 -0.62 -1.25 -0.62 -1.25
121 -2.36 0.55 -0.59 0.55 -0.59 -0.59 0.55 -0.59 -0.02 -0.59 -0.06 -0.06 -0.59 -0.59 -0.59 0.55 -0.02 -0.59
122 0.44 0.44 -0.02 0.44 -0.02 -0.02 0.44 0.44 -0.02 0.44 0.76 0.44 0.44 -0.02 0.44 0.44 -0.02 0.76
123 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 1.10
124 -0.27 -0.27 -0.27 0.87 -0.27 -0.27 0.87 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27
135 0.29 0.29 0.44 0.29 0.29 0.29 -0.28 0.44 0.44 0.44 0.44 -0.28 0.29 0.29 0.44 0.29 -0.28 0.29
136 0.29 -0.28 0.29 0.29 0.29 0.29 -0.28 0.29 0.29 0.44 0.29 0.44 0.29 -0.28 0.44 0.44 0.44 0.29
137 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 0.71 1.30 0.71 1.30 0.71 0.71 1.30 1.30
138 0.87 -0.27 -0.27 -0.27 -0.27 -0.27 1.26 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 0.87 -0.27 0.87 -0.27 0.87
139 0.56 0.56 -0.20 -0.20 1.10 0.56 1.10 0.56 -0.20 -0.20 -0.20 0.56 1.10 1.10 -0.20 0.56 0.56 1.10
140 -1.35 -0.22 -0.22 -0.22 0.87 -0.22 0.87 0.87 -0.22 0.87 -0.22 0.87 0.87 0.87 -0.22 0.87 0.87 1.28
141 0.56 0.56 0.56 0.66 0.66 0.56 0.56 0.56 0.56 0.56 0.66 0.66 0.66 0.56 0.56 0.56 0.66 0.56
142 -0.20 0.56 0.56 -0.20 -0.20 0.56 1.10 1.10 -0.20 -0.20 -0.20 -0.20 1.10 1.10 0.56 0.56 -0.20 1.10
143 0.62 0.62 0.62 0.62 0.09 0.09 0.62 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 -0.58
144 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38
145 0.62 0.62 0.09 0.62 0.62 0.62 0.62 -0.43 -0.58 0.62 -0.43 0.62 -0.43 0.62 0.62 0.62 0.62 0.62
146 -1.37 -1.37 -1.37 -0.46 -0.46 -0.46 -0.46 -0.46 -1.37 -1.37 -1.37 -0.46 -0.30 -1.37 -1.37 -1.37 -0.46 -0.46
#Reported_Model_Average 0.237 0.292 0.217 0.317 0.280 0.284 0.359 0.341 0.210 0.293 0.207 0.340 0.292 0.290 0.231 0.278 0.273 0.312
#Overall_Average_Reported 0.281
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
4 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08
5 -0.74 -0.74 -0.09 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74
6 1.18 0.71 0.08 0.71 0.08 0.44 0.08 0.44 0.08 0.44 0.44 0.71 0.08 0.44 0.16 0.08 0.08 0.71
7 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
8 -0.61 -0.03 -0.61 -0.30 -0.03 -0.61 -0.03 -0.03 -0.61 -0.03 -0.61 -0.03 -0.61 -0.03 -2.08 -0.61 -0.03 -0.03
9 0.59 -0.52 -0.52 -0.52 -0.52 -0.52 0.59 -0.52 0.59 -0.52 0.59 -0.52 -0.52 -0.52 0.59 0.59 -0.52 -0.52
10 1.18 0.71 0.71 0.71 0.71 0.71 1.18 1.18 0.71 1.18 1.18 0.71 1.18 0.71 1.18 1.18 0.44 0.71
11 0.95 0.79 0.95 0.79 0.95 0.95 0.79 0.95 0.95 0.95 0.95 0.79 0.95 0.95 0.95 0.95 0.79 0.95
12 1.50 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.50 1.07 1.07 1.50 1.50 1.07
13 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
14 0.08 0.08 -2.78 0.08 0.08 0.08 0.08 0.08 -2.12 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
15 -0.11 0.64 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.44 0.44 0.25 0.44 0.64 0.44
16 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
17 0.28 0.28 0.04 0.28 0.28 0.28 -0.59 0.04 0.28 0.04 -0.59 0.04 0.04 -0.59 0.28 0.04 0.28 -0.59
18 0.25 -0.87 -0.57 -0.87 -0.57 -0.57 -0.87 0.25 -0.57 0.25 -0.57 -0.57 -0.57 -0.87 -0.57 -0.87 -0.57 -0.57
19 1.06 0.77 1.06 1.06 0.77 0.77 0.77 1.06 0.77 1.06 0.77 0.77 1.06 0.77 0.77 1.06 1.06 1.06
20 1.14 0.52 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 0.52 1.14 1.14 0.52 0.52 0.52 1.14 1.14
21 0.14 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
22 -0.09 0.66 -0.40 -0.09 0.66 0.66 0.66 0.66 -0.40 0.66 -0.09 0.66 -0.40 -0.09 1.00 -0.74 0.66 -0.40
23 1.62 0.96 1.12 1.62 1.12 1.12 1.62 1.62 1.12 1.62 1.62 1.12 1.62 1.62 1.12 1.62 1.62 1.62
63 -1.13 0.28 -0.46 -1.13 -0.46 -0.46 -0.46 -1.13 -1.13 -0.46 -0.46 0.28 -0.46 -0.46 -1.13 -2.01 -0.46 -0.46
64 0.49 0.49 -0.25 -0.25 -0.25 -0.25 -0.25 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25
65 -0.42 -0.42 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 -0.42 0.41 -1.59 -0.68
66 0.36 0.36 0.14 0.36 0.14 1.07 0.14 0.14 0.36 0.14 0.14 0.36 0.14 0.14 0.14 0.36 0.36 0.14
67 0.79 0.79 0.79 0.79 0.95 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 -0.17 0.79
68 -0.52 0.59 0.14 0.14 -0.52 0.59 -0.52 -0.52 -0.52 -0.52 -0.52 0.59 -0.52 -0.52 -0.52 -0.52 -0.52 -0.52
69 -0.03 -0.03 -0.03 -0.03 -0.61 -0.30 -0.61 -0.03 -0.03 -0.61 -0.61 -0.03 -0.61 -0.03 -0.61 -0.61 -0.61 -0.61
70 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
73 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 0.47 0.47 0.47
74 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.19 0.19 0.84 0.19 0.84 0.19 0.19 0.19
75 1.50 1.07 1.07 1.50 1.50 1.07 1.50 1.07 0.26 1.07 1.07 1.50 1.50 1.07 1.07 1.07 1.07 1.50
76 -0.52 0.59 0.59 -0.52 -0.52 0.59 0.59 -0.52 -0.52 0.59 -0.52 0.59 -0.52 -0.52 -0.52 0.59 0.59 0.59
77 0.07 0.07 0.07 0.92 0.07 0.83 0.83 0.92 0.07 0.83 0.83 0.83 0.83 0.92 0.07 0.07 0.83 0.07
78 0.84 0.19 0.19 0.19 0.84 0.84 0.19 0.84 0.84 0.19 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.19
90 0.41 -0.68 -0.42 -0.42 -0.42 -0.42 -0.42 0.41 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42
91 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 0.44 1.18 1.18 1.18 1.18 1.18 1.18
92 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -0.81 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33
93 0.96 0.96 0.96 0.96 0.96 0.96 0.96 1.32 0.96 0.96 0.96 1.32 0.96 0.96 0.96 0.96 1.32 1.32
94 0.19 -1.12 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
95 -1.01 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88
96 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
97 0.44 0.25 0.25 0.25 0.44 0.25 0.25 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.25 0.25 0.44 0.25
100 -0.41 0.24 0.24 0.24 0.24 -0.41 0.24 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 0.24 -0.41 0.24 -0.41
101 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
102 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
103 -0.42 -0.68 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42
104 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71
105 0.08 0.44 0.44 0.44 0.44 0.44 0.16 0.08 0.08 0.16 0.71 0.44 0.44 0.08 0.44 0.16 0.16 0.44
106 0.44 1.18 1.18 1.18 0.44 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.44 1.18
107 0.19 0.19 0.84 0.19 0.84 0.84 0.19 0.19 0.84 0.19 0.19 0.84 0.84 0.19 0.19 0.19 0.84 0.19
108 0.36 0.36 0.14 0.36 0.14 -1.33 1.07 1.07 0.14 0.14 -0.81 -0.81 -0.81 1.07 0.36 0.36 0.14 1.07
109 0.79 0.79 0.79 0.95 0.79 0.95 0.79 0.79 0.95 0.79 0.95 0.95 0.79 0.95 0.79 0.79 0.95 0.79
110 -0.43 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 -0.43 1.25 1.25 1.14 1.25 1.25 1.25 1.25
111 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.71 0.24 0.24 0.24 0.24 0.24 -0.41 0.71
112 0.44 0.44 0.44 -0.07 0.44 -0.07 0.64 0.44 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.64 0.44 0.44
116 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
117 0.44 0.76 0.44 0.76 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
118 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
119 0.44 0.44 -0.02 0.44 0.44 0.76 0.44 0.44 0.44 -0.02 0.44 0.44 0.44 -0.02 0.44 0.44 0.44 -0.02
120 -1.25 -0.62 -1.25 0.30 -0.62 -1.25 -0.62 -0.62 -0.62 -1.25 -0.62 -0.62 -1.25 -0.62 -0.62 -1.25 -0.62 -1.25
121 -2.36 0.55 -0.59 0.55 -0.59 -0.59 0.55 -0.59 -0.02 -0.59 -0.06 -0.06 -0.59 -0.59 -0.59 0.55 -0.02 -0.59
122 0.44 0.44 -0.02 0.44 -0.02 -0.02 0.44 0.44 -0.02 0.44 0.76 0.44 0.44 -0.02 0.44 0.44 -0.02 0.76
123 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 1.10
124 -0.27 -0.27 -0.27 0.87 -0.27 -0.27 0.87 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27
135 0.29 0.29 0.44 0.29 0.29 0.29 -0.28 0.44 0.44 0.44 0.44 -0.28 0.29 0.29 0.44 0.29 -0.28 0.29
136 0.29 -0.28 0.29 0.29 0.29 0.29 -0.28 0.29 0.29 0.44 0.29 0.44 0.29 -0.28 0.44 0.44 0.44 0.29
137 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 0.71 1.30 0.71 1.30 0.71 0.71 1.30 1.30
138 0.87 -0.27 -0.27 -0.27 -0.27 -0.27 1.26 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 0.87 -0.27 0.87 -0.27 0.87
139 0.56 0.56 -0.20 -0.20 1.10 0.56 1.10 0.56 -0.20 -0.20 -0.20 0.56 1.10 1.10 -0.20 0.56 0.56 1.10
140 -1.35 -0.22 -0.22 -0.22 0.87 -0.22 0.87 0.87 -0.22 0.87 -0.22 0.87 0.87 0.87 -0.22 0.87 0.87 1.28
141 0.56 0.56 0.56 0.66 0.66 0.56 0.56 0.56 0.56 0.56 0.66 0.66 0.66 0.56 0.56 0.56 0.66 0.56
142 -0.20 0.56 0.56 -0.20 -0.20 0.56 1.10 1.10 -0.20 -0.20 -0.20 -0.20 1.10 1.10 0.56 0.56 -0.20 1.10
143 0.62 0.62 0.62 0.62 0.09 0.09 0.62 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 -0.58
144 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38
145 0.62 0.62 0.09 0.62 0.62 0.62 0.62 -0.43 -0.58 0.62 -0.43 0.62 -0.43 0.62 0.62 0.62 0.62 0.62
146 -1.37 -1.37 -1.37 -0.46 -0.46 -0.46 -0.46 -0.46 -1.37 -1.37 -1.37 -0.46 -0.30 -1.37 -1.37 -1.37 -0.46 -0.46
#Reported_Model_Average 0.237 0.292 0.217 0.317 0.280 0.284 0.359 0.341 0.210 0.293 0.207 0.340 0.292 0.290 0.231 0.278 0.273 0.312
#Overall_Average_Reported 0.281
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
4.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
5.000 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0
6.000 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1
7.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1
8.000 0 1 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 1
9.000 0 0 0 0 1 1 0 0 1 0 0 0 1 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
11.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
12.000 0 0 0 1 1 0 1 0 0 0 1 1 0 1 1 0 1 1
13.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0
15.000 3 2 1 3 1 1 2 2 2 2 2 1 2 1 1 2 2 2
16.000 3 3 1 2 1 1 2 2 2 2 2 2 2 1 1 2 2 2
17.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
18.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
19.000 1 1 0 1 2 0 0 1 0 0 2 2 0 0 2 0 1 1
20.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
21.000 0 0 0 0 1 0 1 0 0 1 0 0 1 0 0 0 0 1
22.000 0 0 2 1 0 1 0 0 1 0 0 2 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
63.000 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 1 1
64.000 0 0 0 0 1 0 0 0 1 1 0 1 0 2 0 1 0 0
65.000 0 0 0 0 0 0 0 0 1 0 0 2 0 0 1 0 1 0
66.000 1 2 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0
67.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
68.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
69.000 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0
70.000 0 1 0 2 0 1 0 0 1 1 0 0 0 0 0 1 0 0
73.000 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
74.000 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0
75.000 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0
76.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
77.000 0 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 3 0
78.000 1 0 1 0 0 0 1 0 0 0 0 2 0 0 1 0 1 0
90.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
91.000 0 1 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
93.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
94.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
95.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
96.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
97.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
100.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
101.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
102.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
103.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
104.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0
105.000 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0
106.000 0 2 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 1
107.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
108.000 1 1 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0
109.000 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0
110.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
111.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
112.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
116.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
117.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
118.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
119.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
120.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
121.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
122.000 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0
123.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
124.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
135.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
136.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
137.000 0 1 1 0 1 0 1 2 0 0 0 0 0 1 0 0 0 2
138.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
139.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
140.000 0 0 0 1 1 0 0 0 0 0 2 0 1 0 1 0 1 0
141.000 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0
142.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
143.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1
144.000 0 0 2 1 1 1 0 1 1 0 0 0 1 1 2 0 1 0
145.000 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0
146.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.197 0.263 0.132 0.263 0.211 0.132 0.184 0.224 0.211 0.118 0.197 0.237 0.132 0.105 0.197 0.132 0.211 0.211
#Overall_Average_Reported 0.186
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 51 VAL 2HG1 :A 51 VAL O : -0.661: 0
: 2432:A 51 VAL O :A 51 VAL CG1 : -0.408: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.576: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.481: 0
: 2432:A 15 PRO 1HG :A 152 HIS H : -0.421: 0
: 2432:A 16 ALA HA :A 19 LEU 2HD1 : -0.418: 0
: 2432:A 37 ARG 1HB :A 36 LEU O : -0.518: 0
: 2432:A 42 LEU O :A 43 ASP 1HB : -0.487: 0
: 2432:A 41 VAL 2HG1 :A 42 LEU HG : -0.447: 0
: 2432:A 57 LEU N :A 57 LEU 3HD1 : -0.473: 0
: 2432:A 63 GLU OE1 :A 63 GLU N : -0.470: 0
: 2432:A 66 LEU H :A 46 ARG HE : -0.463: 0
: 2432:A 46 ARG 1HB :A 45 LYS O : -0.443: 0
: 2432:A 108 LEU 3HD2 :A 89 GLY 1HA : -0.446: 0
: 2432:A 50 THR 2HG2 :A 52 GLU H : -0.445: 0
: 2432:A 56 PRO 2HD :A 55 ALA HA : -0.438: 0
: 2432:A 54 PRO O :A 55 ALA 3HB : -0.427: 0
: 2432:A 60 VAL HA :A 80 LEU 3HD1 : -0.433: 0
: 2432:A 80 LEU H :A 78 ARG 1HG : -0.411: 0
: 2432:A 6 VAL CG1 :A 133 LEU 1HB : -0.429: 0
: 2432:A 6 VAL HB :A 1 MET CG : -0.411: 0
: 2432:A 154 HIS 2HB :A 153 HIS O : -0.424: 0
: 2432:A 72 GLY 1HA :A 20 TYR OH : -0.421: 0
: 2432:A 87 ASN 1HB :A 84 ARG 2HG : -0.419: 0
#sum2 ::9.87 clashscore : 9.87 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271730 potential dots:16980.0 A^2:24 bumps:24 bumps B<40:733.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.570: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.474: 0
: 2432:A 16 ALA HA :A 19 LEU 2HD1 : -0.422: 0
: 2432:A 31 LEU N :A 31 LEU 2HD1 : -0.528: 0
: 2432:A 31 LEU N :A 31 LEU CD1 : -0.410: 0
: 2432:A 127 GLN 1HG :A 129 PRO 2HD : -0.496: 0
: 2432:A 137 LEU 3HD2 :A 8 ASP 2HB : -0.471: 0
: 2432:A 126 ASN 1HB :A 125 PHE O : -0.448: 0
: 2432:A 106 VAL 2HG1 :A 108 LEU HG : -0.436: 0
: 2432:A 106 VAL 2HG2 :A 91 VAL 2HG1 : -0.418: 0
: 2432:A 107 ARG 2HB :A 90 GLU 1HG : -0.434: 0
: 2432:A 70 GLU 2HB :A 73 LYS 1HB : -0.433: 0
: 2432:A 30 PRO HA :A 33 MET 1HB : -0.429: 0
: 2432:A 45 LYS HA :A 45 LYS 1HD : -0.427: 0
: 2432:A 77 TRP HA :A 66 LEU 2HD1 : -0.410: 0
: 2432:A 66 LEU CD2 :A 69 ASP 2HB : -0.405: 0
#sum2 ::6.58 clashscore : 6.58 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271639 potential dots:16980.0 A^2:16 bumps:16 bumps B<40:853.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 57 LEU 3HD2 :A 57 LEU O : -0.731: 0
: 2432:A 57 LEU 3HD2 :A 57 LEU C : -0.687: 0
: 2432:A 57 LEU CD2 :A 57 LEU C : -0.545: 0
: 2432:A 38 SER O :A 39 VAL HB : -0.489: 0
: 2432:A 50 THR O :A 51 VAL 2HG2 : -0.484: 0
: 2432:A 51 VAL 2HG2 :A 50 THR C : -0.465: 0
: 2432:A 50 THR O :A 51 VAL CG2 : -0.419: 0
: 2432:A 61 SER HA :A 80 LEU 3HD1 : -0.481: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.479: 0
: 2432:A 22 VAL 1HG2 :A 144 GLN 1HG : -0.456: 0
: 2432:A 144 GLN 1HG :A 22 VAL CG2 : -0.408: 0
: 2432:A 30 PRO CD :A 29 LEU N : -0.434: 0
: 2432:A 88 SER CB :A 78 ARG HA : -0.405: 0
: 2432:A 66 LEU 1HB :A 45 LYS 2HE : -0.405: 0
: 2432:A 137 LEU 3HD2 :A 8 ASP 2HB : -0.400: 0
#sum2 ::6.17 clashscore : 6.17 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271534 potential dots:16970.0 A^2:15 bumps:15 bumps B<40:738.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 37 ARG 1HB :A 36 LEU O : -0.552: 0
: 2432:A 36 LEU O :A 37 ARG CB : -0.433: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.538: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.460: 0
: 2432:A 15 PRO 2HD :A 14 LYS HA : -0.416: 0
: 2432:A 140 PHE O :A 144 GLN 1HG : -0.490: 0
: 2432:A 145 GLU 2HG :A 12 ILE 2HG2 : -0.457: 0
: 2432:A 22 VAL 2HG1 :A 19 LEU O : -0.446: 0
: 2432:A 149 GLU 1HB :A 148 LEU O : -0.440: 0
: 2432:A 127 GLN O :A 128 GLU 1HB : -0.440: 0
: 2432:A 128 GLU 2HB :A 129 PRO 1HD : -0.423: 0
: 2432:A 49 TRP 1HB :A 48 ARG O : -0.433: 0
: 2432:A 68 ALA 3HB :A 76 ALA H : -0.428: 0
: 2432:A 73 LYS 2HB :A 70 GLU CB : -0.420: 0
: 2432:A 71 PRO 2HD :A 70 GLU HA : -0.404: 0
: 2432:A 80 LEU 2HD1 :A 63 GLU 2HB : -0.416: 0
: 2432:A 80 LEU 2HB :A 57 LEU 1HD2 : -0.412: 0
: 2432:A 39 VAL 1HG1 :A 27 PRO 1HD : -0.411: 0
: 2432:A 106 VAL 2HG1 :A 108 LEU HG : -0.401: 0
#sum2 ::7.81 clashscore : 7.81 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271603 potential dots:16980.0 A^2:19 bumps:19 bumps B<40:713 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 49 TRP O :A 49 TRP CE3 : -0.632: 0
: 2432:A 49 TRP HE3 :A 49 TRP O : -0.515: 0
: 2432:A 57 LEU 2HD1 :A 57 LEU C : -0.611: 0
: 2432:A 57 LEU 2HD1 :A 57 LEU O : -0.578: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.509: 0
: 2432:A 26 LEU N :A 27 PRO 2HD : -0.481: 0
: 2432:A 21 ALA 1HB :A 27 PRO 1HD : -0.430: 0
: 2432:A 19 LEU 1HD2 :A 12 ILE HB : -0.462: 0
: 2432:A 19 LEU CD2 :A 14 LYS 1HB : -0.435: 0
: 2432:A 79 SER HA :A 64 ALA HA : -0.454: 0
: 2432:A 140 PHE O :A 144 GLN N : -0.449: 0
: 2432:A 132 GLN 1HB :A 131 GLN O : -0.425: 0
: 2432:A 2 GLY O :A 3 GLU C : -0.422: 0
: 2432:A 5 VAL 2HG2 :A 109 THR 2HG2 : -0.417: 0
: 2432:A 137 LEU O :A 141 LYS N : -0.412: 0
: 2432:A 42 LEU 2HD1 :A 48 ARG HA : -0.411: 0
: 2432:A 9 ALA 2HB :A 105 VAL 2HG2 : -0.407: 0
: 2432:A 154 HIS N :A 152 HIS O : -0.400: 0
#sum2 ::7.40 clashscore : 7.40 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271684 potential dots:16980.0 A^2:18 bumps:18 bumps B<40:794 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 53 ALA N :A 54 PRO CD : -0.524: 0
: 2432:A 42 LEU 1HB :A 54 PRO 1HD : -0.493: 0
: 2432:A 42 LEU 2HD1 :A 42 LEU C : -0.430: 0
: 2432:A 154 HIS 2HB :A 153 HIS O : -0.508: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.506: 0
: 2432:A 49 TRP CB :A 48 ARG O : -0.474: 0
: 2432:A 49 TRP 2HB :A 48 ARG O : -0.439: 0
: 2432:A 26 LEU 2HB :A 27 PRO CD : -0.469: 0
: 2432:A 27 PRO 1HD :A 26 LEU 2HB : -0.453: 0
: 2432:A 35 HIS O :A 37 ARG 2HG : -0.463: 0
: 2432:A 33 MET O :A 34 THR C : -0.455: 0
: 2432:A 37 ARG O :A 38 SER 1HB : -0.445: 0
: 2432:A 35 HIS N :A 34 THR 3HG2 : -0.440: 0
: 2432:A 46 ARG O :A 47 SER 2HB : -0.462: 0
: 2432:A 66 LEU 1HB :A 46 ARG 1HG : -0.425: 0
: 2432:A 46 ARG O :A 47 SER CB : -0.423: 0
: 2432:A 132 GLN 1HB :A 131 GLN O : -0.442: 0
: 2432:A 32 LEU N :A 32 LEU 3HD2 : -0.431: 0
: 2432:A 60 VAL 2HG1 :A 60 VAL O : -0.422: 0
: 2432:A 70 GLU 1HB :A 74 ARG H : -0.415: 0
: 2432:A 57 LEU H :A 57 LEU 3HD2 : -0.413: 0
: 2432:A 57 LEU H :A 57 LEU CD2 : -0.409: 0
: 2432:A 57 LEU 1HB :A 63 GLU CB : -0.406: 0
: 2432:A 144 GLN HA :A 22 VAL 1HG2 : -0.401: 0
: 2432:A 9 ALA 2HB :A 105 VAL 2HG2 : -0.400: 0
#sum2 ::10.28 clashscore : 10.28 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271653 potential dots:16980.0 A^2:25 bumps:25 bumps B<40:766.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.624: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.517: 0
: 2432:A 57 LEU 3HD2 :A 57 LEU N : -0.522: 0
: 2432:A 57 LEU H :A 57 LEU 3HD2 : -0.519: 0
: 2432:A 57 LEU N :A 57 LEU CD2 : -0.406: 0
: 2432:A 27 PRO CD :A 26 LEU N : -0.489: 0
: 2432:A 21 ALA 1HB :A 27 PRO 1HD : -0.412: 0
: 2432:A 100 ARG 2HB :A 11 THR 1HG2 : -0.476: 0
: 2432:A 49 TRP 1HB :A 48 ARG O : -0.474: 0
: 2432:A 50 THR H :A 48 ARG C : -0.444: 0
: 2432:A 85 ILE O :A 86 GLU 1HB : -0.453: 0
: 2432:A 85 ILE HB :A 79 SER CB : -0.406: 0
: 2432:A 85 ILE HB :A 79 SER 1HB : -0.405: 0
: 2432:A 79 SER O :A 83 ALA 3HB : -0.402: 0
: 2432:A 12 ILE 2HD1 :A 145 GLU 2HB : -0.441: 0
: 2432:A 108 LEU 3HD2 :A 89 GLY 2HA : -0.427: 0
: 2432:A 78 ARG 1HG :A 80 LEU H : -0.414: 0
: 2432:A 136 ASP H :A 134 ARG 1HG : -0.412: 0
: 2432:A 8 ASP 2HB :A 137 LEU 1HD2 : -0.410: 0
#sum2 ::7.81 clashscore : 7.81 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271457 potential dots:16970.0 A^2:19 bumps:19 bumps B<40:730.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.562: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.452: 0
: 2432:A 34 THR HB :A 33 MET O : -0.526: 0
: 2432:A 52 GLU O :A 53 ALA 3HB : -0.503: 0
: 2432:A 57 LEU 3HD1 :A 57 LEU HA : -0.495: 0
: 2432:A 43 ASP 1HB :A 49 TRP HA : -0.487: 0
: 2432:A 137 LEU 2HD2 :A 8 ASP 2HB : -0.487: 0
: 2432:A 8 ASP 2HB :A 137 LEU CD2 : -0.421: 0
: 2432:A 69 ASP HA :A 75 ILE 1HG1 : -0.467: 0
: 2432:A 69 ASP 2HB :A 45 LYS 1HE : -0.448: 0
: 2432:A 66 LEU 3HD2 :A 75 ILE 3HG2 : -0.409: 0
: 2432:A 19 LEU 2HD2 :A 144 GLN 1HG : -0.444: 0
: 2432:A 106 VAL 2HG1 :A 108 LEU HG : -0.439: 0
: 2432:A 133 LEU 2HD1 :A 133 LEU C : -0.426: 0
: 2432:A 37 ARG 1HB :A 36 LEU O : -0.421: 0
: 2432:A 39 VAL HA :A 24 ARG HE : -0.415: 0
#sum2 ::6.58 clashscore : 6.58 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271411 potential dots:16960.0 A^2:16 bumps:16 bumps B<40:674.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.601: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.506: 0
: 2432:A 57 LEU 2HD1 :A 57 LEU C : -0.562: 0
: 2432:A 64 ALA HA :A 57 LEU 3HD2 : -0.487: 0
: 2432:A 57 LEU 2HD2 :A 79 SER 2HB : -0.452: 0
: 2432:A 49 TRP 1HB :A 48 ARG O : -0.491: 0
: 2432:A 48 ARG 2HB :A 40 GLU 1HB : -0.476: 0
: 2432:A 49 TRP O :A 50 THR HB : -0.476: 0
: 2432:A 49 TRP 1HB :A 39 VAL HA : -0.454: 0
: 2432:A 65 GLU 1HB :A 80 LEU 3HD2 : -0.485: 0
: 2432:A 9 ALA 2HB :A 105 VAL 2HG2 : -0.478: 0
: 2432:A 22 VAL 1HG2 :A 144 GLN 1HG : -0.472: 0
: 2432:A 26 LEU N :A 27 PRO 2HD : -0.456: 0
: 2432:A 70 GLU 1HB :A 74 ARG H : -0.442: 0
: 2432:A 5 VAL 2HG2 :A 109 THR 2HG2 : -0.423: 0
: 2432:A 106 VAL 2HG1 :A 108 LEU HG : -0.421: 0
#sum2 ::6.58 clashscore : 6.58 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271473 potential dots:16970.0 A^2:16 bumps:16 bumps B<40:782 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.609: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.498: 0
: 2432:A 27 PRO CD :A 26 LEU N : -0.553: 0
: 2432:A 26 LEU N :A 27 PRO 2HD : -0.456: 0
: 2432:A 21 ALA 1HB :A 27 PRO 1HD : -0.454: 0
: 2432:A 57 LEU 2HD1 :A 57 LEU C : -0.499: 0
: 2432:A 79 SER HA :A 64 ALA HA : -0.471: 0
: 2432:A 6 VAL HA :A 132 GLN 1HG : -0.469: 0
: 2432:A 43 ASP 1HB :A 42 LEU O : -0.466: 0
: 2432:A 55 ALA 3HB :A 54 PRO O : -0.443: 0
: 2432:A 49 TRP O :A 50 THR OG1 : -0.439: 0
: 2432:A 122 ALA O :A 126 ASN 1HB : -0.430: 0
: 2432:A 36 LEU 3HD1 :A 31 LEU 1HB : -0.409: 0
: 2432:A 31 LEU N :A 31 LEU 2HD1 : -0.401: 0
: 2432:A 71 PRO 2HD :A 70 GLU HA : -0.402: 0
#sum2 ::6.17 clashscore : 6.17 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271407 potential dots:16960.0 A^2:15 bumps:15 bumps B<40:770 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 126 ASN 2HB :A 122 ALA HA : -0.614: 0
: 2432:A 122 ALA HA :A 126 ASN CB : -0.424: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.589: 0
: 2432:A 16 ALA CB :A 15 PRO O : -0.479: 0
: 2432:A 51 VAL O :A 52 GLU CB : -0.483: 0
: 2432:A 51 VAL O :A 52 GLU 2HB : -0.416: 0
: 2432:A 36 LEU 1HB :A 31 LEU HA : -0.454: 0
: 2432:A 14 LYS 1HB :A 19 LEU HG : -0.447: 0
: 2432:A 19 LEU CD2 :A 12 ILE HB : -0.407: 0
: 2432:A 42 LEU 3HD1 :A 53 ALA HA : -0.435: 0
: 2432:A 46 ARG HE :A 53 ALA 1HB : -0.411: 0
: 2432:A 140 PHE O :A 143 GLU N : -0.424: 0
: 2432:A 140 PHE O :A 141 LYS C : -0.413: 0
: 2432:A 117 ALA 3HB :A 113 PRO 1HG : -0.401: 0
#sum2 ::5.76 clashscore : 5.76 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271352 potential dots:16960.0 A^2:14 bumps:14 bumps B<40:767.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 57 LEU 2HD1 :A 57 LEU C : -0.638: 0
: 2432:A 57 LEU 2HD1 :A 57 LEU O : -0.467: 0
: 2432:A 57 LEU C :A 57 LEU CD1 : -0.431: 0
: 2432:A 65 GLU 1HB :A 79 SER 1HB : -0.491: 0
: 2432:A 79 SER CB :A 65 GLU 1HB : -0.403: 0
: 2432:A 153 HIS O :A 154 HIS 1HB : -0.490: 0
: 2432:A 78 ARG 1HB :A 77 TRP O : -0.481: 0
: 2432:A 77 TRP O :A 78 ARG CB : -0.434: 0
: 2432:A 126 ASN 1HB :A 125 PHE O : -0.472: 0
: 2432:A 22 VAL HA :A 26 LEU 3HD2 : -0.469: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.450: 0
: 2432:A 16 ALA HA :A 19 LEU 2HD1 : -0.442: 0
: 2432:A 26 LEU 2HB :A 27 PRO 1HD : -0.420: 0
: 2432:A 22 VAL 2HG1 :A 19 LEU O : -0.417: 0
: 2432:A 145 GLU HA :A 12 ILE 3HG2 : -0.458: 0
: 2432:A 147 GLY O :A 148 LEU 2HB : -0.455: 0
: 2432:A 106 VAL 2HG1 :A 108 LEU HG : -0.447: 0
: 2432:A 64 ALA 2HB :A 56 PRO CB : -0.424: 0
: 2432:A 56 PRO 1HD :A 61 SER HA : -0.421: 0
: 2432:A 51 VAL 3HG2 :A 53 ALA H : -0.416: 0
#sum2 ::8.22 clashscore : 8.22 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271384 potential dots:16960.0 A^2:20 bumps:20 bumps B<40:700.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.623: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.524: 0
: 2432:A 29 LEU 2HB :A 30 PRO 1HD : -0.535: 0
: 2432:A 26 LEU 2HB :A 27 PRO CD : -0.506: 0
: 2432:A 26 LEU 2HB :A 27 PRO 1HD : -0.505: 0
: 2432:A 27 PRO 1HG :A 18 GLN 1HG : -0.428: 0
: 2432:A 21 ALA 3HB :A 27 PRO 2HD : -0.411: 0
: 2432:A 133 LEU C :A 132 GLN O : -0.503: 0
: 2432:A 140 PHE O :A 144 GLN 1HG : -0.473: 0
: 2432:A 148 LEU 1HB :A 24 ARG O : -0.445: 0
: 2432:A 43 ASP 2HB :A 46 ARG 1HB : -0.434: 0
: 2432:A 9 ALA 2HB :A 105 VAL 2HG2 : -0.426: 0
: 2432:A 42 LEU 1HB :A 49 TRP HA : -0.409: 0
#sum2 ::5.35 clashscore : 5.35 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271513 potential dots:16970.0 A^2:13 bumps:13 bumps B<40:781.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 49 TRP O :A 49 TRP CE3 : -0.558: 0
: 2432:A 41 VAL 1HG2 :A 49 TRP HA : -0.414: 0
: 2432:A 45 LYS O :A 46 ARG 1HB : -0.515: 0
: 2432:A 64 ALA CB :A 79 SER HA : -0.475: 0
: 2432:A 64 ALA 3HB :A 46 ARG O : -0.472: 0
: 2432:A 45 LYS O :A 46 ARG CB : -0.433: 0
: 2432:A 57 LEU H :A 57 LEU 3HD2 : -0.510: 0
: 2432:A 57 LEU 3HD2 :A 57 LEU N : -0.407: 0
: 2432:A 57 LEU 2HB :A 80 LEU 3HD1 : -0.402: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.490: 0
: 2432:A 12 ILE 3HD1 :A 144 GLN 1HG : -0.468: 0
: 2432:A 31 LEU N :A 31 LEU 2HD1 : -0.451: 0
: 2432:A 51 VAL HB :A 50 THR O : -0.422: 0
: 2432:A 138 MET SD :A 130 SER 2HB : -0.418: 0
: 2432:A 131 GLN 1HB :A 130 SER O : -0.412: 0
: 2432:A 61 SER 2HB :A 60 VAL O : -0.409: 0
: 2432:A 137 LEU 2HB :A 134 ARG 1HB : -0.402: 0
#sum2 ::6.99 clashscore : 6.99 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271609 potential dots:16980.0 A^2:17 bumps:17 bumps B<40:799.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 57 LEU H :A 57 LEU 3HD2 : -0.558: 0
: 2432:A 57 LEU 3HD2 :A 57 LEU N : -0.470: 0
: 2432:A 80 LEU 3HD1 :A 57 LEU 2HB : -0.435: 0
: 2432:A 125 PHE 1HB :A 124 MET O : -0.534: 0
: 2432:A 19 LEU CD2 :A 12 ILE HB : -0.484: 0
: 2432:A 19 LEU 1HD1 :A 102 THR HB : -0.424: 0
: 2432:A 109 THR HA :A 5 VAL HA : -0.458: 0
: 2432:A 43 ASP 1HB :A 42 LEU O : -0.451: 0
: 2432:A 40 GLU OE1 :A 40 GLU N : -0.450: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.436: 0
: 2432:A 140 PHE O :A 144 GLN N : -0.426: 0
: 2432:A 26 LEU 2HD2 :A 144 GLN 2HG : -0.415: 0
: 2432:A 45 LYS O :A 46 ARG 1HB : -0.421: 0
: 2432:A 143 GLU 2HB :A 148 LEU 1HD2 : -0.415: 0
: 2432:A 130 SER 2HB :A 129 PRO O : -0.412: 0
: 2432:A 78 ARG O :A 65 GLU O : -0.405: 0
#sum2 ::6.58 clashscore : 6.58 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271784 potential dots:16990.0 A^2:16 bumps:16 bumps B<40:774.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 51 VAL 2HG1 :A 51 VAL O : -0.733: 0
: 2432:A 51 VAL O :A 51 VAL CG1 : -0.519: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.515: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.402: 0
: 2432:A 79 SER HA :A 64 ALA HA : -0.484: 0
: 2432:A 60 VAL O :A 60 VAL 2HG1 : -0.480: 0
: 2432:A 59 ALA O :A 60 VAL HB : -0.444: 0
: 2432:A 70 GLU 1HB :A 74 ARG H : -0.466: 0
: 2432:A 148 LEU O :A 149 GLU CB : -0.457: 0
: 2432:A 148 LEU O :A 149 GLU 2HB : -0.418: 0
: 2432:A 46 ARG 2HB :A 63 GLU OE1 : -0.428: 0
: 2432:A 37 ARG 2HD :A 50 THR HA : -0.412: 0
: 2432:A 150 HIS O :A 151 HIS 2HB : -0.409: 0
: 2432:A 57 LEU HG :A 57 LEU H : -0.406: 0
: 2432:A 7 ARG HA :A 106 VAL O : -0.405: 0
#sum2 ::6.17 clashscore : 6.17 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271693 potential dots:16980.0 A^2:15 bumps:15 bumps B<40:797.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.546: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.456: 0
: 2432:A 39 VAL O :A 39 VAL 2HG1 : -0.542: 0
: 2432:A 104 VAL O :A 104 VAL 3HG1 : -0.468: 0
: 2432:A 126 ASN O :A 127 GLN 2HB : -0.454: 0
: 2432:A 126 ASN O :A 127 GLN CB : -0.403: 0
: 2432:A 60 VAL 2HG1 :A 62 TRP H : -0.443: 0
: 2432:A 78 ARG 1HB :A 77 TRP O : -0.442: 0
: 2432:A 77 TRP N :A 77 TRP CD1 : -0.411: 0
: 2432:A 65 GLU 1HB :A 79 SER CB : -0.430: 0
: 2432:A 61 SER CA :A 80 LEU 3HD1 : -0.428: 0
: 2432:A 80 LEU 2HD1 :A 63 GLU O : -0.411: 0
: 2432:A 144 GLN CB :A 140 PHE O : -0.413: 0
: 2432:A 19 LEU 1HD2 :A 12 ILE HB : -0.407: 0
#sum2 ::5.76 clashscore : 5.76 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271468 potential dots:16970.0 A^2:14 bumps:14 bumps B<40:781.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.593: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.490: 0
: 2432:A 143 GLU O :A 147 GLY N : -0.475: 0
: 2432:A 137 LEU 3HD2 :A 8 ASP 2HB : -0.475: 0
: 2432:A 26 LEU HG :A 147 GLY 1HA : -0.467: 0
: 2432:A 6 VAL 1HG2 :A 137 LEU 1HB : -0.464: 0
: 2432:A 21 ALA 1HB :A 27 PRO 1HD : -0.468: 0
: 2432:A 19 LEU 1HD2 :A 12 ILE HB : -0.467: 0
: 2432:A 43 ASP O :A 44 ASP 1HB : -0.463: 0
: 2432:A 43 ASP H :A 41 VAL 2HG2 : -0.418: 0
: 2432:A 79 SER O :A 83 ALA 3HB : -0.444: 0
: 2432:A 17 GLU 2HB :A 35 HIS 1HB : -0.417: 0
: 2432:A 56 PRO 2HD :A 55 ALA HA : -0.403: 0
: 2432:A 7 ARG HA :A 106 VAL O : -0.402: 0
: 2432:A 63 GLU 1HG :A 48 ARG 1HG : -0.401: 0
#sum2 ::6.17 clashscore : 6.17 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271449 potential dots:16970.0 A^2:15 bumps:15 bumps B<40:842.9 score
Output from PDB validation software
Summary from PDB validation
May. 10, 02:41:34 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
Chain Atom Res Seq Chain Atom Res Seq Mol_ID Distance
-------------------------------------------------------------------------
A O LEU 137 - A H LYS 141 18 Dist = 1.56
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 0.011 Angstroms
The following table contains a list of the covalent bonds
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 Bond Dictionary
Name ID Number Distance Value
------------------------------------------------------------------------
0.066 PRO A 30 3 CD - N 1.539 1.473
0.073 PRO A 30 13 CD - N 1.546 1.473
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.8 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
--------------------------------------------------------------------------------
-5.4 LEU A 36 9 N - CA - C 105.8 111.2
-6.7 ASN A 87 12 N - CA - C 104.5 111.2
-5.2 PRO A 30 13 CA - N - CD 106.8 112.0
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 18 1HE2
1 A GLN 18 2HE2
1 A ASN 87 1HD2
1 A ASN 87 2HD2
1 A ASN 126 1HD2
1 A ASN 126 2HD2
1 A GLN 127 1HE2
1 A GLN 127 2HE2
1 A GLN 131 1HE2
1 A GLN 131 2HE2
1 A GLN 132 1HE2
1 A GLN 132 2HE2
1 A GLN 144 1HE2
1 A GLN 144 2HE2
2 A GLN 18 1HE2
2 A GLN 18 2HE2
2 A ASN 87 1HD2
2 A ASN 87 2HD2
2 A ASN 126 1HD2
2 A ASN 126 2HD2
2 A GLN 127 1HE2
2 A GLN 127 2HE2
2 A GLN 131 1HE2
2 A GLN 131 2HE2
2 A GLN 132 1HE2
2 A GLN 132 2HE2
2 A GLN 144 1HE2
2 A GLN 144 2HE2
3 A GLN 18 1HE2
3 A GLN 18 2HE2
3 A ASN 87 1HD2
3 A ASN 87 2HD2
3 A ASN 126 1HD2
3 A ASN 126 2HD2
3 A GLN 127 1HE2
3 A GLN 127 2HE2
3 A GLN 131 1HE2
3 A GLN 131 2HE2
3 A GLN 132 1HE2
3 A GLN 132 2HE2
3 A GLN 144 1HE2
3 A GLN 144 2HE2
4 A GLN 18 1HE2
4 A GLN 18 2HE2
4 A ASN 87 1HD2
4 A ASN 87 2HD2
4 A ASN 126 1HD2
4 A ASN 126 2HD2
4 A GLN 127 1HE2
4 A GLN 127 2HE2
4 A GLN 131 1HE2
4 A GLN 131 2HE2
4 A GLN 132 1HE2
4 A GLN 132 2HE2
4 A GLN 144 1HE2
4 A GLN 144 2HE2
5 A GLN 18 1HE2
5 A GLN 18 2HE2
5 A ASN 87 1HD2
5 A ASN 87 2HD2
5 A ASN 126 1HD2
5 A ASN 126 2HD2
5 A GLN 127 1HE2
5 A GLN 127 2HE2
5 A GLN 131 1HE2
5 A GLN 131 2HE2
5 A GLN 132 1HE2
5 A GLN 132 2HE2
5 A GLN 144 1HE2
5 A GLN 144 2HE2
6 A GLN 18 1HE2
6 A GLN 18 2HE2
6 A ASN 87 1HD2
6 A ASN 87 2HD2
6 A ASN 126 1HD2
6 A ASN 126 2HD2
6 A GLN 127 1HE2
6 A GLN 127 2HE2
6 A GLN 131 1HE2
6 A GLN 131 2HE2
6 A GLN 132 1HE2
6 A GLN 132 2HE2
6 A GLN 144 1HE2
6 A GLN 144 2HE2
7 A GLN 18 1HE2
7 A GLN 18 2HE2
7 A ASN 87 1HD2
7 A ASN 87 2HD2
7 A ASN 126 1HD2
7 A ASN 126 2HD2
7 A GLN 127 1HE2
7 A GLN 127 2HE2
7 A GLN 131 1HE2
7 A GLN 131 2HE2
7 A GLN 132 1HE2
7 A GLN 132 2HE2
7 A GLN 144 1HE2
7 A GLN 144 2HE2
8 A GLN 18 1HE2
8 A GLN 18 2HE2
8 A ASN 87 1HD2
8 A ASN 87 2HD2
8 A ASN 126 1HD2
8 A ASN 126 2HD2
8 A GLN 127 1HE2
8 A GLN 127 2HE2
8 A GLN 131 1HE2
8 A GLN 131 2HE2
8 A GLN 132 1HE2
8 A GLN 132 2HE2
8 A GLN 144 1HE2
8 A GLN 144 2HE2
9 A GLN 18 1HE2
9 A GLN 18 2HE2
9 A ASN 87 1HD2
9 A ASN 87 2HD2
9 A ASN 126 1HD2
9 A ASN 126 2HD2
9 A GLN 127 1HE2
9 A GLN 127 2HE2
9 A GLN 131 1HE2
9 A GLN 131 2HE2
9 A GLN 132 1HE2
9 A GLN 132 2HE2
9 A GLN 144 1HE2
9 A GLN 144 2HE2
10 A GLN 18 1HE2
10 A GLN 18 2HE2
10 A ASN 87 1HD2
10 A ASN 87 2HD2
10 A ASN 126 1HD2
10 A ASN 126 2HD2
10 A GLN 127 1HE2
10 A GLN 127 2HE2
10 A GLN 131 1HE2
10 A GLN 131 2HE2
10 A GLN 132 1HE2
10 A GLN 132 2HE2
10 A GLN 144 1HE2
10 A GLN 144 2HE2
11 A GLN 18 1HE2
11 A GLN 18 2HE2
11 A ASN 87 1HD2
11 A ASN 87 2HD2
11 A ASN 126 1HD2
11 A ASN 126 2HD2
11 A GLN 127 1HE2
11 A GLN 127 2HE2
11 A GLN 131 1HE2
11 A GLN 131 2HE2
11 A GLN 132 1HE2
11 A GLN 132 2HE2
11 A GLN 144 1HE2
11 A GLN 144 2HE2
12 A GLN 18 1HE2
12 A GLN 18 2HE2
12 A ASN 87 1HD2
12 A ASN 87 2HD2
12 A ASN 126 1HD2
12 A ASN 126 2HD2
12 A GLN 127 1HE2
12 A GLN 127 2HE2
12 A GLN 131 1HE2
12 A GLN 131 2HE2
12 A GLN 132 1HE2
12 A GLN 132 2HE2
12 A GLN 144 1HE2
12 A GLN 144 2HE2
13 A GLN 18 1HE2
13 A GLN 18 2HE2
13 A ASN 87 1HD2
13 A ASN 87 2HD2
13 A ASN 126 1HD2
13 A ASN 126 2HD2
13 A GLN 127 1HE2
13 A GLN 127 2HE2
13 A GLN 131 1HE2
13 A GLN 131 2HE2
13 A GLN 132 1HE2
13 A GLN 132 2HE2
13 A GLN 144 1HE2
13 A GLN 144 2HE2
14 A GLN 18 1HE2
14 A GLN 18 2HE2
14 A ASN 87 1HD2
14 A ASN 87 2HD2
14 A ASN 126 1HD2
14 A ASN 126 2HD2
14 A GLN 127 1HE2
14 A GLN 127 2HE2
14 A GLN 131 1HE2
14 A GLN 131 2HE2
14 A GLN 132 1HE2
14 A GLN 132 2HE2
14 A GLN 144 1HE2
14 A GLN 144 2HE2
15 A GLN 18 1HE2
15 A GLN 18 2HE2
15 A ASN 87 1HD2
15 A ASN 87 2HD2
15 A ASN 126 1HD2
15 A ASN 126 2HD2
15 A GLN 127 1HE2
15 A GLN 127 2HE2
15 A GLN 131 1HE2
15 A GLN 131 2HE2
15 A GLN 132 1HE2
15 A GLN 132 2HE2
15 A GLN 144 1HE2
15 A GLN 144 2HE2
16 A GLN 18 1HE2
16 A GLN 18 2HE2
16 A ASN 87 1HD2
16 A ASN 87 2HD2
16 A ASN 126 1HD2
16 A ASN 126 2HD2
16 A GLN 127 1HE2
16 A GLN 127 2HE2
16 A GLN 131 1HE2
16 A GLN 131 2HE2
16 A GLN 132 1HE2
16 A GLN 132 2HE2
16 A GLN 144 1HE2
16 A GLN 144 2HE2
17 A GLN 18 1HE2
17 A GLN 18 2HE2
17 A ASN 87 1HD2
17 A ASN 87 2HD2
17 A ASN 126 1HD2
17 A ASN 126 2HD2
17 A GLN 127 1HE2
17 A GLN 127 2HE2
17 A GLN 131 1HE2
17 A GLN 131 2HE2
17 A GLN 132 1HE2
17 A GLN 132 2HE2
17 A GLN 144 1HE2
17 A GLN 144 2HE2
18 A GLN 18 1HE2
18 A GLN 18 2HE2
18 A ASN 87 1HD2
18 A ASN 87 2HD2
18 A ASN 126 1HD2
18 A ASN 126 2HD2
18 A GLN 127 1HE2
18 A GLN 127 2HE2
18 A GLN 131 1HE2
18 A GLN 131 2HE2
18 A GLN 132 1HE2
18 A GLN 132 2HE2
18 A GLN 144 1HE2
18 A GLN 144 2HE2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 3) HE2
ASP( 1 A 8) HD2
GLU( 1 A 17) HE2
ASP( 1 A 25) HD2
HIS( 1 A 35) HD1
GLU( 1 A 40) HE2
ASP( 1 A 43) HD2
ASP( 1 A 44) HD2
GLU( 1 A 52) HE2
GLU( 1 A 63) HE2
GLU( 1 A 65) HE2
ASP( 1 A 69) HD2
GLU( 1 A 70) HE2
GLU( 1 A 86) HE2
GLU( 1 A 90) HE2
GLU( 1 A 103) HE2
GLU( 1 A 128) HE2
ASP( 1 A 135) HD2
ASP( 1 A 136) HD2
GLU( 1 A 143) HE2
GLU( 1 A 145) HE2
GLU( 1 A 149) HE2
HIS( 1 A 150) HD1
HIS( 1 A 151) HD1
HIS( 1 A 152) HE2
HIS( 1 A 153) HD1
HIS( 1 A 154) HD1
HIS( 1 A 155) HE2
GLU( 2 A 3) HE2
ASP( 2 A 8) HD2
GLU( 2 A 17) HE2
ASP( 2 A 25) HD2
HIS( 2 A 35) HD1
GLU( 2 A 40) HE2
ASP( 2 A 43) HD2
ASP( 2 A 44) HD2
GLU( 2 A 52) HE2
GLU( 2 A 63) HE2
GLU( 2 A 65) HE2
ASP( 2 A 69) HD2
GLU( 2 A 70) HE2
GLU( 2 A 86) HE2
GLU( 2 A 90) HE2
GLU( 2 A 103) HE2
GLU( 2 A 128) HE2
ASP( 2 A 135) HD2
ASP( 2 A 136) HD2
GLU( 2 A 143) HE2
GLU( 2 A 145) HE2
GLU( 2 A 149) HE2
HIS( 2 A 150) HE2
HIS( 2 A 151) HD1
HIS( 2 A 152) HD1
HIS( 2 A 153) HE2
HIS( 2 A 154) HD1
HIS( 2 A 155) HE2
GLU( 3 A 3) HE2
ASP( 3 A 8) HD2
GLU( 3 A 17) HE2
ASP( 3 A 25) HD2
HIS( 3 A 35) HD1
GLU( 3 A 40) HE2
ASP( 3 A 43) HD2
ASP( 3 A 44) HD2
GLU( 3 A 52) HE2
GLU( 3 A 63) HE2
GLU( 3 A 65) HE2
ASP( 3 A 69) HD2
GLU( 3 A 70) HE2
GLU( 3 A 86) HE2
GLU( 3 A 90) HE2
GLU( 3 A 103) HE2
GLU( 3 A 128) HE2
ASP( 3 A 135) HD2
ASP( 3 A 136) HD2
GLU( 3 A 143) HE2
GLU( 3 A 145) HE2
GLU( 3 A 149) HE2
HIS( 3 A 150) HE2
HIS( 3 A 151) HD1
HIS( 3 A 152) HD1
HIS( 3 A 153) HE2
HIS( 3 A 154) HE2
HIS( 3 A 155) HE2
GLU( 4 A 3) HE2
ASP( 4 A 8) HD2
GLU( 4 A 17) HE2
ASP( 4 A 25) HD2
HIS( 4 A 35) HD1
GLU( 4 A 40) HE2
ASP( 4 A 43) HD2
ASP( 4 A 44) HD2
GLU( 4 A 52) HE2
GLU( 4 A 63) HE2
GLU( 4 A 65) HE2
ASP( 4 A 69) HD2
GLU( 4 A 70) HE2
GLU( 4 A 86) HE2
GLU( 4 A 90) HE2
GLU( 4 A 103) HE2
GLU( 4 A 128) HE2
ASP( 4 A 135) HD2
ASP( 4 A 136) HD2
GLU( 4 A 143) HE2
GLU( 4 A 145) HE2
GLU( 4 A 149) HE2
HIS( 4 A 150) HE2
HIS( 4 A 151) HE2
HIS( 4 A 152) HE2
HIS( 4 A 153) HE2
HIS( 4 A 154) HE2
HIS( 4 A 155) HD1
GLU( 5 A 3) HE2
ASP( 5 A 8) HD2
GLU( 5 A 17) HE2
ASP( 5 A 25) HD2
HIS( 5 A 35) HD1
GLU( 5 A 40) HE2
ASP( 5 A 43) HD2
ASP( 5 A 44) HD2
GLU( 5 A 52) HE2
GLU( 5 A 63) HE2
GLU( 5 A 65) HE2
ASP( 5 A 69) HD2
GLU( 5 A 70) HE2
GLU( 5 A 86) HE2
GLU( 5 A 90) HE2
GLU( 5 A 103) HE2
GLU( 5 A 128) HE2
ASP( 5 A 135) HD2
ASP( 5 A 136) HD2
GLU( 5 A 143) HE2
GLU( 5 A 145) HE2
GLU( 5 A 149) HE2
HIS( 5 A 150) HD1
HIS( 5 A 151) HE2
HIS( 5 A 152) HE2
HIS( 5 A 153) HE2
HIS( 5 A 154) HE2
HIS( 5 A 155) HD1
GLU( 6 A 3) HE2
ASP( 6 A 8) HD2
GLU( 6 A 17) HE2
ASP( 6 A 25) HD2
HIS( 6 A 35) HD1
GLU( 6 A 40) HE2
ASP( 6 A 43) HD2
ASP( 6 A 44) HD2
GLU( 6 A 52) HE2
GLU( 6 A 63) HE2
GLU( 6 A 65) HE2
ASP( 6 A 69) HD2
GLU( 6 A 70) HE2
GLU( 6 A 86) HE2
GLU( 6 A 90) HE2
GLU( 6 A 103) HE2
GLU( 6 A 128) HE2
ASP( 6 A 135) HD2
ASP( 6 A 136) HD2
GLU( 6 A 143) HE2
GLU( 6 A 145) HE2
GLU( 6 A 149) HE2
HIS( 6 A 150) HE2
HIS( 6 A 151) HE2
HIS( 6 A 152) HE2
HIS( 6 A 153) HD1
HIS( 6 A 154) HE2
HIS( 6 A 155) HE2
GLU( 7 A 3) HE2
ASP( 7 A 8) HD2
GLU( 7 A 17) HE2
ASP( 7 A 25) HD2
HIS( 7 A 35) HD1
GLU( 7 A 40) HE2
ASP( 7 A 43) HD2
ASP( 7 A 44) HD2
GLU( 7 A 52) HE2
GLU( 7 A 63) HE2
GLU( 7 A 65) HE2
ASP( 7 A 69) HD2
GLU( 7 A 70) HE2
GLU( 7 A 86) HE2
GLU( 7 A 90) HE2
GLU( 7 A 103) HE2
GLU( 7 A 128) HE2
ASP( 7 A 135) HD2
ASP( 7 A 136) HD2
GLU( 7 A 143) HE2
GLU( 7 A 145) HE2
GLU( 7 A 149) HE2
HIS( 7 A 150) HD1
HIS( 7 A 151) HE2
HIS( 7 A 152) HD1
HIS( 7 A 153) HD1
HIS( 7 A 154) HE2
HIS( 7 A 155) HD1
GLU( 8 A 3) HE2
ASP( 8 A 8) HD2
GLU( 8 A 17) HE2
ASP( 8 A 25) HD2
HIS( 8 A 35) HD1
GLU( 8 A 40) HE2
ASP( 8 A 43) HD2
ASP( 8 A 44) HD2
GLU( 8 A 52) HE2
GLU( 8 A 63) HE2
GLU( 8 A 65) HE2
ASP( 8 A 69) HD2
GLU( 8 A 70) HE2
GLU( 8 A 86) HE2
GLU( 8 A 90) HE2
GLU( 8 A 103) HE2
GLU( 8 A 128) HE2
ASP( 8 A 135) HD2
ASP( 8 A 136) HD2
GLU( 8 A 143) HE2
GLU( 8 A 145) HE2
GLU( 8 A 149) HE2
HIS( 8 A 150) HE2
HIS( 8 A 151) HD1
HIS( 8 A 152) HD1
HIS( 8 A 153) HE2
HIS( 8 A 154) HE2
HIS( 8 A 155) HE2
GLU( 9 A 3) HE2
ASP( 9 A 8) HD2
GLU( 9 A 17) HE2
ASP( 9 A 25) HD2
HIS( 9 A 35) HD1
GLU( 9 A 40) HE2
ASP( 9 A 43) HD2
ASP( 9 A 44) HD2
GLU( 9 A 52) HE2
GLU( 9 A 63) HE2
GLU( 9 A 65) HE2
ASP( 9 A 69) HD2
GLU( 9 A 70) HE2
GLU( 9 A 86) HE2
GLU( 9 A 90) HE2
GLU( 9 A 103) HE2
GLU( 9 A 128) HE2
ASP( 9 A 135) HD2
ASP( 9 A 136) HD2
GLU( 9 A 143) HE2
GLU( 9 A 145) HE2
GLU( 9 A 149) HE2
HIS( 9 A 150) HD1
HIS( 9 A 151) HD1
HIS( 9 A 152) HE2
HIS( 9 A 153) HD1
HIS( 9 A 154) HE2
HIS( 9 A 155) HE2
GLU( 10 A 3) HE2
ASP( 10 A 8) HD2
GLU( 10 A 17) HE2
ASP( 10 A 25) HD2
HIS( 10 A 35) HD1
GLU( 10 A 40) HE2
ASP( 10 A 43) HD2
ASP( 10 A 44) HD2
GLU( 10 A 52) HE2
GLU( 10 A 63) HE2
GLU( 10 A 65) HE2
ASP( 10 A 69) HD2
GLU( 10 A 70) HE2
GLU( 10 A 86) HE2
GLU( 10 A 90) HE2
GLU( 10 A 103) HE2
GLU( 10 A 128) HE2
ASP( 10 A 135) HD2
ASP( 10 A 136) HD2
GLU( 10 A 143) HE2
GLU( 10 A 145) HE2
GLU( 10 A 149) HE2
HIS( 10 A 150) HE2
HIS( 10 A 151) HE2
HIS( 10 A 152) HE2
HIS( 10 A 153) HD1
HIS( 10 A 154) HD1
HIS( 10 A 155) HD1
GLU( 11 A 3) HE2
ASP( 11 A 8) HD2
GLU( 11 A 17) HE2
ASP( 11 A 25) HD2
HIS( 11 A 35) HD1
GLU( 11 A 40) HE2
ASP( 11 A 43) HD2
ASP( 11 A 44) HD2
GLU( 11 A 52) HE2
GLU( 11 A 63) HE2
GLU( 11 A 65) HE2
ASP( 11 A 69) HD2
GLU( 11 A 70) HE2
GLU( 11 A 86) HE2
GLU( 11 A 90) HE2
GLU( 11 A 103) HE2
GLU( 11 A 128) HE2
ASP( 11 A 135) HD2
ASP( 11 A 136) HD2
GLU( 11 A 143) HE2
GLU( 11 A 145) HE2
GLU( 11 A 149) HE2
HIS( 11 A 150) HE2
HIS( 11 A 151) HD1
HIS( 11 A 152) HD1
HIS( 11 A 153) HD1
HIS( 11 A 154) HD1
HIS( 11 A 155) HD1
GLU( 12 A 3) HE2
ASP( 12 A 8) HD2
GLU( 12 A 17) HE2
ASP( 12 A 25) HD2
HIS( 12 A 35) HD1
GLU( 12 A 40) HE2
ASP( 12 A 43) HD2
ASP( 12 A 44) HD2
GLU( 12 A 52) HE2
GLU( 12 A 63) HE2
GLU( 12 A 65) HE2
ASP( 12 A 69) HD2
GLU( 12 A 70) HE2
GLU( 12 A 86) HE2
GLU( 12 A 90) HE2
GLU( 12 A 103) HE2
GLU( 12 A 128) HE2
ASP( 12 A 135) HD2
ASP( 12 A 136) HD2
GLU( 12 A 143) HE2
GLU( 12 A 145) HE2
GLU( 12 A 149) HE2
HIS( 12 A 150) HE2
HIS( 12 A 151) HD1
HIS( 12 A 152) HE2
HIS( 12 A 153) HD1
HIS( 12 A 154) HD1
HIS( 12 A 155) HD1
GLU( 13 A 3) HE2
ASP( 13 A 8) HD2
GLU( 13 A 17) HE2
ASP( 13 A 25) HD2
HIS( 13 A 35) HD1
GLU( 13 A 40) HE2
ASP( 13 A 43) HD2
ASP( 13 A 44) HD2
GLU( 13 A 52) HE2
GLU( 13 A 63) HE2
GLU( 13 A 65) HE2
ASP( 13 A 69) HD2
GLU( 13 A 70) HE2
GLU( 13 A 86) HE2
GLU( 13 A 90) HE2
GLU( 13 A 103) HE2
GLU( 13 A 128) HE2
ASP( 13 A 135) HD2
ASP( 13 A 136) HD2
GLU( 13 A 143) HE2
GLU( 13 A 145) HE2
GLU( 13 A 149) HE2
HIS( 13 A 150) HE2
HIS( 13 A 151) HE2
HIS( 13 A 152) HD1
HIS( 13 A 153) HD1
HIS( 13 A 154) HD1
HIS( 13 A 155) HD1
GLU( 14 A 3) HE2
ASP( 14 A 8) HD2
GLU( 14 A 17) HE2
ASP( 14 A 25) HD2
HIS( 14 A 35) HD1
GLU( 14 A 40) HE2
ASP( 14 A 43) HD2
ASP( 14 A 44) HD2
GLU( 14 A 52) HE2
GLU( 14 A 63) HE2
GLU( 14 A 65) HE2
ASP( 14 A 69) HD2
GLU( 14 A 70) HE2
GLU( 14 A 86) HE2
GLU( 14 A 90) HE2
GLU( 14 A 103) HE2
GLU( 14 A 128) HE2
ASP( 14 A 135) HD2
ASP( 14 A 136) HD2
GLU( 14 A 143) HE2
GLU( 14 A 145) HE2
GLU( 14 A 149) HE2
HIS( 14 A 150) HD1
HIS( 14 A 151) HD1
HIS( 14 A 152) HE2
HIS( 14 A 153) HE2
HIS( 14 A 154) HD1
HIS( 14 A 155) HE2
GLU( 15 A 3) HE2
ASP( 15 A 8) HD2
GLU( 15 A 17) HE2
ASP( 15 A 25) HD2
HIS( 15 A 35) HD1
GLU( 15 A 40) HE2
ASP( 15 A 43) HD2
ASP( 15 A 44) HD2
GLU( 15 A 52) HE2
GLU( 15 A 63) HE2
GLU( 15 A 65) HE2
ASP( 15 A 69) HD2
GLU( 15 A 70) HE2
GLU( 15 A 86) HE2
GLU( 15 A 90) HE2
GLU( 15 A 103) HE2
GLU( 15 A 128) HE2
ASP( 15 A 135) HD2
ASP( 15 A 136) HD2
GLU( 15 A 143) HE2
GLU( 15 A 145) HE2
GLU( 15 A 149) HE2
HIS( 15 A 150) HE2
HIS( 15 A 151) HD1
HIS( 15 A 152) HD1
HIS( 15 A 153) HE2
HIS( 15 A 154) HE2
HIS( 15 A 155) HE2
GLU( 16 A 3) HE2
ASP( 16 A 8) HD2
GLU( 16 A 17) HE2
ASP( 16 A 25) HD2
HIS( 16 A 35) HD1
GLU( 16 A 40) HE2
ASP( 16 A 43) HD2
ASP( 16 A 44) HD2
GLU( 16 A 52) HE2
GLU( 16 A 63) HE2
GLU( 16 A 65) HE2
ASP( 16 A 69) HD2
GLU( 16 A 70) HE2
GLU( 16 A 86) HE2
GLU( 16 A 90) HE2
GLU( 16 A 103) HE2
GLU( 16 A 128) HE2
ASP( 16 A 135) HD2
ASP( 16 A 136) HD2
GLU( 16 A 143) HE2
GLU( 16 A 145) HE2
GLU( 16 A 149) HE2
HIS( 16 A 150) HD1
HIS( 16 A 151) HD1
HIS( 16 A 152) HD1
HIS( 16 A 153) HD1
HIS( 16 A 154) HE2
HIS( 16 A 155) HE2
GLU( 17 A 3) HE2
ASP( 17 A 8) HD2
GLU( 17 A 17) HE2
ASP( 17 A 25) HD2
HIS( 17 A 35) HD1
GLU( 17 A 40) HE2
ASP( 17 A 43) HD2
ASP( 17 A 44) HD2
GLU( 17 A 52) HE2
GLU( 17 A 63) HE2
GLU( 17 A 65) HE2
ASP( 17 A 69) HD2
GLU( 17 A 70) HE2
GLU( 17 A 86) HE2
GLU( 17 A 90) HE2
GLU( 17 A 103) HE2
GLU( 17 A 128) HE2
ASP( 17 A 135) HD2
ASP( 17 A 136) HD2
GLU( 17 A 143) HE2
GLU( 17 A 145) HE2
GLU( 17 A 149) HE2
HIS( 17 A 150) HD1
HIS( 17 A 151) HE2
HIS( 17 A 152) HE2
HIS( 17 A 153) HD1
HIS( 17 A 154) HE2
HIS( 17 A 155) HD1
GLU( 18 A 3) HE2
ASP( 18 A 8) HD2
GLU( 18 A 17) HE2
ASP( 18 A 25) HD2
HIS( 18 A 35) HD1
GLU( 18 A 40) HE2
ASP( 18 A 43) HD2
ASP( 18 A 44) HD2
GLU( 18 A 52) HE2
GLU( 18 A 63) HE2
GLU( 18 A 65) HE2
ASP( 18 A 69) HD2
GLU( 18 A 70) HE2
GLU( 18 A 86) HE2
GLU( 18 A 90) HE2
GLU( 18 A 103) HE2
GLU( 18 A 128) HE2
ASP( 18 A 135) HD2
ASP( 18 A 136) HD2
GLU( 18 A 143) HE2
GLU( 18 A 145) HE2
GLU( 18 A 149) HE2
HIS( 18 A 150) HE2
HIS( 18 A 151) HD1
HIS( 18 A 152) HD1
HIS( 18 A 153) HE2
HIS( 18 A 154) HD1
HIS( 18 A 155) HD1
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 155) O2
HIS( 2 A 155) O2
HIS( 3 A 155) O2
HIS( 4 A 155) O2
HIS( 5 A 155) O2
HIS( 6 A 155) O2
HIS( 7 A 155) O2
HIS( 8 A 155) O2
HIS( 9 A 155) O2
HIS( 10 A 155) O2
HIS( 11 A 155) O2
HIS( 12 A 155) O2
HIS( 13 A 155) O2
HIS( 14 A 155) O2
HIS( 15 A 155) O2
HIS( 16 A 155) O2
HIS( 17 A 155) O2
HIS( 18 A 155) O2
DRR147D_R3Cons_em_bcr3.pdb: Missing KEYWDS records
DRR147D_R3Cons_em_bcr3.pdb: Missing TITLE record