Detailed results of SGR145_R3Cons_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1011
# INTRA-RESIDUE RESTRAINTS (I=J) : 81
# SEQUENTIAL RESTRAINTS (I-J)=1 : 220
# BACKBONE-BACKBONE : 123
# BACKBONE-SIDE CHAIN : 39
# SIDE CHAIN-SIDE CHAIN : 58
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 239
# BACKBONE-BACKBONE : 103
# BACKBONE-SIDE CHAIN : 37
# SIDE CHAIN-SIDE CHAIN : 99
# LONG RANGE RESTRAINTS (I-J)>=5 : 471
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1011
# 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
TRP 2 0 0.0 0.0 0.0 0.0 0.0
ASP 3 0 0.0 0.0 0.0 0.0 0.0
GLU 4 0 0.0 0.0 0.0 0.0 0.0
ARG 5 0 0.0 0.0 0.0 0.0 0.0
PHE 6 0 0.0 0.0 0.0 0.0 0.0
SER 7 0 0.0 0.0 0.0 0.0 0.0
GLN 8 0 0.0 0.0 0.0 0.0 0.0
SER 9 0 0.0 0.0 0.0 0.0 0.0
GLU 10 0 0.0 0.0 0.0 0.0 0.0
TYR 11 0 0.0 0.0 0.0 0.0 0.0
VAL 12 0 0.0 0.0 0.0 0.0 0.0
TYR 13 0 0.0 0.0 0.0 0.0 0.0
GLY 14 0 0.0 0.0 0.0 0.0 0.0
THR 15 0 0.0 0.0 0.0 0.0 0.0
GLU 16 0 0.0 0.0 0.0 0.0 0.0
PRO 17 0 0.0 0.0 0.0 0.0 0.0
ASN 18 0 0.0 0.0 0.0 0.0 0.0
ASP 19 0 0.0 0.0 0.0 0.0 0.0
PHE 20 0 0.0 0.0 0.0 0.0 0.0
LEU 21 2 11.5 0.0 1.5 10.0 0.0
VAL 22 2 3.5 1.5 2.0 0.0 0.0
SER 23 0 4.0 3.0 1.0 0.0 0.0
VAL 24 2 17.5 3.0 5.5 9.0 0.0
ALA 25 0 6.5 2.0 2.5 2.0 0.0
ASN 26 0 5.0 1.0 3.5 0.5 0.0
GLN 27 0 4.0 1.5 1.0 1.5 0.0
ILE 28 1 11.0 1.0 3.0 7.0 0.0
PRO 29 0 0.0 0.0 0.0 0.0 0.0
GLN 30 0 1.0 0.5 0.5 0.0 0.0
GLY 31 0 1.5 1.0 0.5 0.0 0.0
LYS 32 0 2.0 1.0 0.0 1.0 0.0
ILE 33 1 10.0 1.5 1.0 7.5 0.0
LEU 34 2 19.0 2.0 2.5 14.5 0.0
CYS 35 0 5.0 1.5 0.0 3.5 0.0
LEU 36 1 15.0 1.5 2.0 11.5 0.0
ALA 37 0 4.5 1.0 0.5 3.0 0.0
GLU 38 0 0.0 0.0 0.0 0.0 0.0
GLY 39 0 0.0 0.0 0.0 0.0 0.0
GLU 40 0 0.0 0.0 0.0 0.0 0.0
GLY 41 0 0.0 0.0 0.0 0.0 0.0
ARG 42 0 1.0 0.5 0.5 0.0 0.0
ASN 43 0 1.5 1.0 0.5 0.0 0.0
ALA 44 0 2.0 1.0 1.0 0.0 0.0
CYS 45 0 2.5 1.0 1.0 0.5 0.0
PHE 46 0 3.0 1.0 1.0 1.0 0.0
LEU 47 2 19.5 1.5 3.0 15.0 0.0
ALA 48 0 5.0 1.5 2.0 1.5 0.0
SER 49 0 4.5 2.0 1.0 1.5 0.0
LEU 50 2 10.5 2.5 5.5 2.5 0.0
GLY 51 0 3.0 1.5 0.5 1.0 0.0
TYR 52 0 2.5 1.0 1.5 0.0 0.0
GLU 53 0 3.0 1.5 0.0 1.5 0.0
VAL 54 1 14.5 2.0 2.0 10.5 0.0
THR 55 0 3.5 1.5 0.0 2.0 0.0
ALA 56 0 6.0 1.5 0.5 4.0 0.0
VAL 57 2 19.5 2.5 1.0 16.0 0.0
ASP 58 0 5.5 1.5 0.5 3.5 0.0
GLN 59 0 1.5 0.5 0.5 0.5 0.0
SER 60 0 4.5 0.5 3.5 0.5 0.0
SER 61 0 2.0 1.5 0.5 0.0 0.0
VAL 62 2 7.5 3.0 4.5 0.0 0.0
GLY 63 0 4.5 3.0 1.5 0.0 0.0
LEU 64 2 14.0 3.0 4.0 7.0 0.0
ALA 65 0 4.5 2.0 2.5 0.0 0.0
LYS 66 0 2.5 1.0 1.5 0.0 0.0
ALA 67 0 2.5 1.0 1.5 0.0 0.0
LYS 68 0 3.0 1.0 1.5 0.5 0.0
GLN 69 0 2.0 1.0 1.0 0.0 0.0
LEU 70 1 4.5 1.0 2.5 1.0 0.0
ALA 71 0 3.0 1.0 1.0 1.0 0.0
GLN 72 0 5.0 1.0 3.5 0.5 0.0
GLU 73 0 3.0 1.0 2.0 0.0 0.0
LYS 74 0 3.5 1.0 2.5 0.0 0.0
GLY 75 0 3.0 2.0 1.0 0.0 0.0
VAL 76 2 11.5 3.0 4.5 4.0 0.0
LYS 77 0 2.5 2.5 0.0 0.0 0.0
ILE 78 1 8.0 2.0 1.0 5.0 0.0
THR 79 0 3.0 1.5 0.0 1.5 0.0
THR 80 0 3.0 1.5 0.0 1.5 0.0
VAL 81 2 17.5 2.5 2.0 13.0 0.0
GLN 82 0 3.5 2.0 0.0 1.5 0.0
SER 83 0 3.5 1.0 0.5 2.0 0.0
ASN 84 0 4.0 1.5 1.5 1.0 0.0
LEU 85 2 15.5 2.0 3.5 10.0 0.0
ALA 86 0 3.5 1.5 1.0 1.0 0.0
ASP 87 0 2.5 1.0 1.5 0.0 0.0
PHE 88 0 4.0 1.0 2.0 1.0 0.0
ASP 89 0 4.0 1.5 2.0 0.5 0.0
ILE 90 1 11.5 2.5 0.0 9.0 0.0
VAL 91 2 10.5 2.5 5.5 2.5 0.0
ALA 92 0 1.5 1.5 0.0 0.0 0.0
ASP 93 0 3.0 1.0 2.0 0.0 0.0
ALA 94 0 3.0 1.5 1.5 0.0 0.0
TRP 95 0 5.0 1.0 2.0 2.0 0.0
GLU 96 0 0.0 0.0 0.0 0.0 0.0
GLY 97 0 1.0 0.0 0.0 1.0 0.0
ILE 98 0 6.0 0.0 0.0 6.0 0.0
VAL 99 2 15.0 1.0 2.0 12.0 0.0
SER 100 0 4.5 2.0 0.0 2.5 0.0
ILE 101 1 6.5 2.0 2.5 2.0 0.0
PHE 102 0 3.5 1.5 0.0 2.0 0.0
CYS 103 0 1.0 0.5 0.5 0.0 0.0
HIS 104 0 1.0 1.0 0.0 0.0 0.0
LEU 105 2 9.0 1.0 3.0 5.0 0.0
PRO 106 0 0.0 0.0 0.0 0.0 0.0
SER 107 0 2.0 0.5 1.5 0.0 0.0
SER 108 0 2.5 1.5 1.0 0.0 0.0
LEU 109 2 11.5 2.5 6.0 3.0 0.0
ARG 110 0 5.0 2.0 2.0 1.0 0.0
GLN 111 0 3.5 1.0 2.5 0.0 0.0
GLN 112 0 3.5 1.0 2.0 0.5 0.0
LEU 113 2 13.5 2.0 5.0 6.5 0.0
TYR 114 0 4.5 1.5 2.0 1.0 0.0
PRO 115 0 0.0 0.0 0.0 0.0 0.0
LYS 116 0 3.0 1.5 1.0 0.5 0.0
VAL 117 2 16.0 3.0 6.0 7.0 0.0
TYR 118 0 3.5 1.5 1.0 1.0 0.0
GLN 119 0 1.0 0.5 0.5 0.0 0.0
GLY 120 0 2.5 1.0 1.0 0.5 0.0
LEU 121 2 12.0 0.5 5.0 6.5 0.0
LYS 122 0 0.0 0.0 0.0 0.0 0.0
PRO 123 0 0.0 0.0 0.0 0.0 0.0
GLY 124 0 3.5 0.5 1.0 2.0 0.0
GLY 125 0 3.5 1.0 1.0 1.5 0.0
VAL 126 0 18.0 1.5 2.0 14.5 0.0
PHE 127 0 6.5 1.0 0.0 5.5 0.0
ILE 128 1 14.0 1.5 1.5 11.0 0.0
LEU 129 2 11.5 3.0 0.0 8.5 0.0
GLU 130 0 3.0 1.5 0.0 1.5 0.0
GLY 131 0 3.0 0.5 0.0 2.5 0.0
PHE 132 0 3.0 1.0 0.0 2.0 0.0
ALA 133 0 4.5 0.5 1.5 2.5 0.0
PRO 134 0 0.0 0.0 0.0 0.0 0.0
GLU 135 0 2.5 0.5 1.5 0.5 0.0
GLN 136 0 4.0 1.5 1.0 1.5 0.0
LEU 137 2 14.5 2.0 2.5 10.0 0.0
GLN 138 0 4.5 1.5 1.5 1.5 0.0
TYR 139 0 2.0 1.0 1.0 0.0 0.0
ASN 140 0 2.5 1.0 1.5 0.0 0.0
THR 141 0 1.0 1.0 0.0 0.0 0.0
GLY 142 0 1.5 1.0 0.5 0.0 0.0
GLY 143 0 0.5 0.5 0.0 0.0 0.0
PRO 144 0 0.0 0.0 0.0 0.0 0.0
LYS 145 0 4.0 0.5 2.5 1.0 0.0
ASP 146 0 4.5 1.5 2.0 1.0 0.0
LEU 147 2 12.0 2.0 3.5 6.5 0.0
ASP 148 0 5.5 2.0 2.5 1.0 0.0
LEU 149 2 6.5 3.0 3.0 0.5 0.0
LEU 150 2 12.5 2.0 4.5 6.0 0.0
PRO 151 0 0.0 0.0 0.0 0.0 0.0
LYS 152 0 3.0 0.5 2.0 0.5 0.0
LEU 153 2 12.0 1.5 3.5 7.0 0.0
GLU 154 0 4.5 1.5 2.0 1.0 0.0
THR 155 0 3.5 1.0 2.5 0.0 0.0
LEU 156 2 14.0 2.0 5.0 7.0 0.0
GLN 157 0 6.5 2.0 2.5 2.0 0.0
SER 158 0 3.5 1.0 2.0 0.5 0.0
GLU 159 0 3.5 1.5 1.5 0.5 0.0
LEU 160 2 14.0 1.0 5.5 7.5 0.0
PRO 161 0 0.0 0.0 0.0 0.0 0.0
SER 162 0 3.0 0.5 2.5 0.0 0.0
LEU 163 2 17.0 1.5 4.5 11.0 0.0
ASN 164 0 3.5 1.5 0.5 1.5 0.0
TRP 165 1 8.0 1.5 2.0 4.5 0.0
LEU 166 2 11.0 4.0 0.5 6.5 0.0
ILE 167 1 10.0 3.5 0.5 6.0 0.0
ALA 168 0 2.0 1.0 0.0 1.0 0.0
ASN 169 0 4.5 1.0 1.5 2.0 0.0
ASN 170 0 1.5 1.5 0.0 0.0 0.0
LEU 171 2 7.0 2.0 1.5 3.5 0.0
GLU 172 0 2.5 1.5 0.0 1.0 0.0
ARG 173 0 3.0 0.5 0.0 2.5 0.0
ASN 174 0 1.0 0.5 0.0 0.5 0.0
LEU 175 2 4.5 0.5 0.0 4.0 0.0
ASP 176 0 0.0 0.0 0.0 0.0 0.0
GLU 177 0 0.0 0.0 0.0 0.0 0.0
GLY 178 0 0.0 0.0 0.0 0.0 0.0
ALA 179 0 0.0 0.0 0.0 0.0 0.0
TYR 180 0 0.0 0.0 0.0 0.0 0.0
HIS 181 0 0.0 0.0 0.0 0.0 0.0
GLN 182 0 0.0 0.0 0.0 0.0 0.0
GLY 183 0 0.0 0.0 0.0 0.0 0.0
LYS 184 0 1.5 0.5 0.0 1.0 0.0
ALA 185 0 4.5 1.0 1.0 2.5 0.0
ALA 186 0 3.0 1.5 0.0 1.5 0.0
LEU 187 2 10.0 3.0 1.0 6.0 0.0
ILE 188 1 9.5 2.5 1.0 6.0 0.0
GLN 189 0 4.5 1.5 0.0 3.0 0.0
LEU 190 2 16.5 2.0 1.5 13.0 0.0
LEU 191 1 18.0 2.0 0.0 16.0 0.0
GLY 192 0 6.5 1.5 0.5 4.5 0.0
GLN 193 0 6.0 1.0 0.5 4.5 0.0
LYS 194 0 2.5 0.5 0.0 2.0 0.0
LEU 195 2 5.0 0.5 0.5 4.0 0.0
GLU 196 0 0.5 0.5 0.0 0.0 0.0
HIS 197 0 0.0 0.0 0.0 0.0 0.0
HIS 198 0 0.0 0.0 0.0 0.0 0.0
HIS 199 0 0.0 0.0 0.0 0.0 0.0
HIS 200 0 0.0 0.0 0.0 0.0 0.0
HIS 201 0 0.0 0.0 0.0 0.0 0.0
HIS 202 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 81 930.0 220.0 239.0 471.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1011.0
List of conformationally-resticting NOE constraints
assign ((resid 59 and name HN )) ( (resid 60 and name HN )) 2.86 1.06 0.29
assign ((resid 60 and name HN )) ( (resid 62 and name HN )) 5.02 3.22 0.50
assign ((resid 24 and name HN )) ( (resid 25 and name HN )) 3.40 1.60 0.34
assign ((resid 31 and name HN )) ( (resid 32 and name HN )) 4.25 2.45 0.43
assign ((resid 49 and name HN )) ( (resid 50 and name HN )) 2.92 1.12 0.29
assign ((resid 51 and name HN )) ( (resid 52 and name HN )) 2.70 0.90 0.27
assign ((resid 52 and name HN )) ( (resid 53 and name HN )) 4.42 2.62 0.44
assign ((resid 89 and name HN )) ( (resid 90 and name HN )) 3.50 1.70 0.35
assign ((resid 92 and name HN )) ( (resid 93 and name HN )) 3.66 1.86 0.37
assign ((resid 128 and name HN )) ( (resid 129 and name HN )) 4.71 2.91 0.47
assign ((resid 129 and name HN )) ( (resid 130 and name HN )) 5.01 3.21 0.50
assign ((resid 132 and name HN )) ( (resid 133 and name HN )) 4.59 2.79 0.46
assign ((resid 135 and name HN )) ( (resid 136 and name HN )) 2.91 1.11 0.29
assign ((resid 140 and name HN )) ( (resid 141 and name HN )) 4.59 2.79 0.46
assign ((resid 141 and name HN )) ( (resid 142 and name HN )) 3.29 1.49 0.33
assign ((resid 145 and name HN )) ( (resid 146 and name HN )) 2.44 0.64 0.24
assign ((resid 146 and name HN )) ( (resid 147 and name HN )) 4.08 2.28 0.41
assign ((resid 153 and name HN )) ( (resid 154 and name HN )) 2.75 0.95 0.28
assign ((resid 156 and name HN )) ( (resid 157 and name HN )) 2.95 1.15 0.30
assign ((resid 170 and name HN )) ( (resid 171 and name HN )) 4.46 2.66 0.45
assign ((resid 189 and name HN )) ( (resid 190 and name HN )) 4.82 3.02 0.48
assign ((resid 30 and name HN )) ( (resid 31 and name HN )) 3.50 1.70 0.35
assign ((resid 47 and name HN )) ( (resid 48 and name HN )) 3.92 2.12 0.39
assign ((resid 48 and name HN )) ( (resid 49 and name HN )) 3.76 1.96 0.38
assign ((resid 56 and name HN )) ( (resid 57 and name HN )) 4.44 2.64 0.44
assign ((resid 75 and name HN )) ( (resid 76 and name HN )) 2.71 0.91 0.27
assign ((resid 82 and name HN )) ( (resid 83 and name HN )) 4.47 2.67 0.45
assign ((resid 136 and name HN )) ( (resid 137 and name HN )) 2.98 1.18 0.30
assign ((resid 154 and name HN )) ( (resid 155 and name HN )) 2.87 1.07 0.29
assign ((resid 191 and name HN )) ( (resid 192 and name HN )) 4.41 2.61 0.44
assign ((resid 62 and name HN )) ( (resid 63 and name HN )) 3.36 1.56 0.34
assign ((resid 66 and name HN )) ( (resid 67 and name HN )) 2.98 1.18 0.30
assign ((resid 74 and name HN )) ( (resid 75 and name HN )) 2.78 0.98 0.28
assign ((resid 83 and name HN )) ( (resid 84 and name HN )) 4.48 2.68 0.45
assign ((resid 87 and name HN )) ( (resid 88 and name HN )) 2.62 0.82 0.26
assign ((resid 88 and name HN )) ( (resid 89 and name HN )) 3.93 2.13 0.39
assign ((resid 91 and name HN )) ( (resid 92 and name HN )) 3.91 2.11 0.39
assign ((resid 109 and name HN )) ( (resid 110 and name HN )) 2.75 0.95 0.28
assign ((resid 124 and name HN )) ( (resid 125 and name HN )) 3.50 1.70 0.35
assign ((resid 131 and name HN )) ( (resid 132 and name HN )) 4.87 3.07 0.49
assign ((resid 158 and name HN )) ( (resid 159 and name HN )) 2.98 1.18 0.30
assign ((resid 164 and name HN )) ( (resid 165 and name HN )) 4.63 2.83 0.46
assign ((resid 167 and name HN )) ( (resid 168 and name HN )) 4.19 2.39 0.42
assign ((resid 169 and name HN )) ( (resid 170 and name HN )) 4.36 2.56 0.44
assign ((resid 192 and name HN )) ( (resid 193 and name HN )) 4.72 2.92 0.47
assign ((resid 27 and name HN )) ( (resid 28 and name HN )) 2.64 0.84 0.26
assign ((resid 45 and name HN )) ( (resid 46 and name HN )) 3.57 1.77 0.36
assign ((resid 63 and name HN )) ( (resid 64 and name HN )) 3.23 1.43 0.32
assign ((resid 71 and name HN )) ( (resid 72 and name HN )) 3.25 1.45 0.33
assign ((resid 73 and name HN )) ( (resid 74 and name HN )) 2.74 0.94 0.27
assign ((resid 76 and name HN )) ( (resid 77 and name HN )) 4.41 2.61 0.44
assign ((resid 78 and name HN )) ( (resid 79 and name HN )) 4.59 2.79 0.46
assign ((resid 86 and name HN )) ( (resid 87 and name HN )) 3.22 1.42 0.32
assign ((resid 90 and name HN )) ( (resid 91 and name HN )) 4.39 2.59 0.44
assign ((resid 110 and name HN )) ( (resid 111 and name HN )) 3.02 1.22 0.30
assign ((resid 111 and name HN )) ( (resid 112 and name HN )) 2.78 0.98 0.28
assign ((resid 155 and name HN )) ( (resid 156 and name HN )) 2.84 1.04 0.28
assign ((resid 162 and name HN )) ( (resid 163 and name HN )) 2.46 0.66 0.25
assign ((resid 163 and name HN )) ( (resid 164 and name HN )) 4.00 2.20 0.40
assign ((resid 165 and name HN )) ( (resid 166 and name HN )) 4.55 2.75 0.46
assign ((resid 166 and name HN )) ( (resid 167 and name HN )) 2.53 0.73 0.25
assign ((resid 168 and name HN )) ( (resid 169 and name HN )) 3.70 1.90 0.37
assign ((resid 172 and name HN )) ( (resid 173 and name HN )) 4.62 2.82 0.46
assign ((resid 174 and name HN )) ( (resid 175 and name HN )) 4.69 2.89 0.47
assign ((resid 186 and name HN )) ( (resid 187 and name HN )) 4.52 2.72 0.45
assign ((resid 153 and name HN )) ( (resid 155 and name HN )) 4.38 2.58 0.44
assign ((resid 156 and name HN )) ( (resid 158 and name HN )) 3.89 2.09 0.39
assign ((resid 153 and name HN )) ( (resid 156 and name HN )) 4.96 3.16 0.50
assign ((resid 156 and name HN )) ( (resid 159 and name HN )) 4.52 2.72 0.45
assign ((resid 162 and name HN )) ( (resid 164 and name HN )) 5.57 3.77 0.56
assign ((resid 166 and name HN )) ( (resid 193 and name HN )) 3.91 2.11 0.39
assign ((resid 166 and name HN )) ( (resid 192 and name HN )) 4.73 2.93 0.47
assign ((resid 167 and name HN )) ( (resid 192 and name HN )) 5.48 3.68 0.55
assign ((resid 73 and name HN )) ( (resid 75 and name HN )) 3.68 1.88 0.37
assign ((resid 84 and name HN )) ( (resid 85 and name HN )) 4.21 2.41 0.42
assign ((resid 26 and name HN )) ( (resid 28 and name HN )) 3.86 2.06 0.39
assign ((resid 173 and name HN )) ( (resid 185 and name HN )) 2.83 1.03 0.07
assign ((resid 184 and name HN )) ( (resid 185 and name HN )) 4.54 2.74 0.45
assign ((resid 175 and name HD2* )) ( (resid 185 and name HN )) 3.82 2.02 0.38
assign ((resid 85 and name HN )) ( (resid 86 and name HN )) 3.58 1.78 0.36
assign ((resid 107 and name HN )) ( (resid 110 and name HN )) 4.53 2.73 0.45
assign ((resid 68 and name HN )) ( (resid 69 and name HN )) 2.94 1.14 0.29
assign ((resid 67 and name HN )) ( (resid 68 and name HN )) 3.22 1.42 0.32
assign ((resid 107 and name HN )) ( (resid 108 and name HN )) 3.36 1.56 0.34
assign ((resid 108 and name HN )) ( (resid 110 and name HN )) 3.92 2.12 0.39
assign ((resid 155 and name HN )) ( (resid 158 and name HN )) 4.53 2.73 0.45
assign ((resid 32 and name HN )) ( (resid 97 and name HN )) 4.50 2.70 0.09
assign ((resid 93 and name HN )) ( (resid 95 and name HN )) 4.26 2.46 0.43
assign ((resid 108 and name HN )) ( (resid 109 and name HN )) 3.18 1.38 0.32
assign ((resid 110 and name HN )) ( (resid 112 and name HN )) 3.98 2.18 0.40
assign ((resid 112 and name HN )) ( (resid 114 and name HN )) 3.95 2.15 0.40
assign ((resid 112 and name HN )) ( (resid 113 and name HN )) 2.77 0.97 0.28
assign ((resid 79 and name HN )) ( (resid 80 and name HN )) 4.18 2.38 0.42
assign ((resid 140 and name HN )) ( (resid 142 and name HN )) 5.26 3.46 0.53
assign ((resid 138 and name HN )) ( (resid 140 and name HN )) 4.74 2.94 0.47
assign ((resid 139 and name HN )) ( (resid 140 and name HN )) 3.86 2.06 0.39
assign ((resid 23 and name HN )) ( (resid 26 and name HN )) 4.87 3.07 0.49
assign ((resid 137 and name HN )) ( (resid 138 and name HN )) 2.90 1.10 0.29
assign ((resid 138 and name HN )) ( (resid 139 and name HN )) 2.89 1.09 0.29
assign ((resid 137 and name HN )) ( (resid 139 and name HN )) 4.67 2.87 0.47
assign ((resid 135 and name HN )) ( (resid 138 and name HN )) 4.98 3.18 0.50
assign ((resid 136 and name HN )) ( (resid 138 and name HN )) 3.74 1.94 0.37
assign ((resid 102 and name HN )) ( (resid 130 and name HN )) 5.55 3.75 0.56
assign ((resid 129 and name HN )) ( (resid 190 and name HN )) 3.50 1.70 0.07
assign ((resid 100 and name HN )) ( (resid 128 and name HN )) 4.15 2.35 0.09
assign ((resid 148 and name HN )) ( (resid 149 and name HN )) 2.73 0.93 0.27
assign ((resid 146 and name HN )) ( (resid 148 and name HN )) 4.16 2.36 0.42
assign ((resid 145 and name HN )) ( (resid 148 and name HN )) 5.62 3.82 0.56
assign ((resid 149 and name HN )) ( (resid 150 and name HN )) 2.65 0.85 0.27
assign ((resid 146 and name HN )) ( (resid 149 and name HN )) 4.22 2.42 0.42
assign ((resid 117 and name HN )) ( (resid 118 and name HN )) 3.26 1.46 0.33
assign ((resid 116 and name HN )) ( (resid 117 and name HN )) 3.21 1.41 0.32
assign ((resid 114 and name HN )) ( (resid 116 and name HN )) 4.08 2.28 0.41
assign ((resid 94 and name HN )) ( (resid 95 and name HE1 )) 5.02 3.22 0.50
assign ((resid 91 and name HN )) ( (resid 94 and name HN )) 5.27 3.47 0.53
assign ((resid 94 and name HN )) ( (resid 95 and name HN )) 3.36 1.56 0.34
assign ((resid 72 and name HN )) ( (resid 73 and name HN )) 2.70 0.90 0.27
assign ((resid 72 and name HN )) ( (resid 75 and name HN )) 4.58 2.78 0.46
assign ((resid 23 and name HN )) ( (resid 24 and name HN )) 3.43 1.63 0.34
assign ((resid 24 and name HN )) ( (resid 24 and name HG1* )) 3.32 1.52 0.33
assign ((resid 24 and name HN )) ( (resid 24 and name HG2* )) 3.04 1.24 0.30
assign ((resid 24 and name HN )) ( (resid 191 and name HD2* )) 3.75 1.95 0.38
assign ((resid 24 and name HN )) ( (resid 128 and name HD1* )) 4.30 2.50 0.43
assign ((resid 25 and name HN )) ( (resid 26 and name HN )) 2.89 1.09 0.29
assign ((resid 26 and name HN )) ( (resid 27 and name HN )) 2.74 0.94 0.27
assign ((resid 24 and name HN )) ( (resid 26 and name HN )) 4.16 2.36 0.42
assign ((resid 33 and name HN )) ( (resid 55 and name HN )) 4.39 2.59 0.09
assign ((resid 33 and name HN )) ( (resid 34 and name HN )) 4.84 3.04 0.48
assign ((resid 34 and name HN )) ( (resid 35 and name HN )) 4.78 2.98 0.48
assign ((resid 34 and name HN )) ( (resid 99 and name HN )) 4.50 2.70 0.09
assign ((resid 131 and name HN )) ( (resid 188 and name HN )) 3.50 1.70 0.07
assign ((resid 22 and name HN )) ( (resid 23 and name HN )) 3.79 1.99 0.38
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assign ((resid 137 and name HD2* )) ( (resid 138 and name HN )) 4.38 2.58 0.44
assign ((resid 146 and name HN )) ( (resid 149 and name HD1* )) 3.51 1.71 0.35
assign ((resid 52 and name HN )) ( (resid 54 and name HG2* )) 4.43 2.63 0.44
assign ((resid 121 and name HN )) ( (resid 121 and name HD1* )) 4.28 2.48 0.43
assign ((resid 121 and name HN )) ( (resid 121 and name HD2* )) 4.34 2.54 0.43
assign ((resid 160 and name HD1* )) ( (resid 163 and name HN )) 4.70 2.90 0.47
assign ((resid 85 and name HD2* )) ( (resid 89 and name HN )) 4.26 2.46 0.43
assign ((resid 89 and name HN )) ( (resid 90 and name HD1* )) 5.64 3.84 0.56
assign ((resid 128 and name HN )) ( (resid 129 and name HD2* )) 4.58 2.78 0.46
assign ((resid 128 and name HN )) ( (resid 128 and name HD1* )) 4.08 2.28 0.41
assign ((resid 33 and name HD1* )) ( (resid 34 and name HN )) 5.14 3.34 0.51
assign ((resid 21 and name HD2* )) ( (resid 47 and name HN )) 4.22 2.42 0.42
assign ((resid 21 and name HD1* )) ( (resid 47 and name HN )) 5.59 3.79 0.56
assign ((resid 47 and name HN )) ( (resid 54 and name HG1* )) 4.49 2.69 0.45
assign ((resid 47 and name HN )) ( (resid 54 and name HG2* )) 4.96 3.16 0.50
assign ((resid 47 and name HN )) ( (resid 47 and name HD2* )) 3.87 2.07 0.39
assign ((resid 33 and name HD1* )) ( (resid 47 and name HN )) 5.98 4.18 0.60
assign ((resid 47 and name HN )) ( (resid 78 and name HD1* )) 5.67 3.87 0.57
assign ((resid 132 and name HN )) ( (resid 150 and name HD2* )) 4.82 3.02 0.48
assign ((resid 129 and name HD2* )) ( (resid 130 and name HN )) 3.92 2.12 0.39
assign ((resid 138 and name HN )) ( (resid 147 and name HD1* )) 4.95 3.15 0.49
assign ((resid 149 and name HN )) ( (resid 149 and name HD2* )) 3.44 1.64 0.34
assign ((resid 117 and name HG2* )) ( (resid 121 and name HN )) 4.28 2.48 0.43
assign ((resid 163 and name HD1* )) ( (resid 165 and name HE1 )) 5.40 3.60 0.54
assign ((resid 165 and name HE1 )) ( (resid 190 and name HD2* )) 5.09 3.29 0.51
assign ((resid 105 and name HD1* )) ( (resid 112 and name HN )) 4.86 3.06 0.49
assign ((resid 125 and name HN )) ( (resid 126 and name HG1* )) 4.81 3.01 0.48
assign ((resid 36 and name HN )) ( (resid 99 and name HN )) 4.50 2.70 0.09
assign ((resid 34 and name HN )) ( (resid 97 and name HN )) 4.50 2.70 0.09
assign ((resid 98 and name HN )) ( (resid 126 and name HN )) 4.50 2.70 0.09
assign ((resid 100 and name HN )) ( (resid 126 and name HN )) 4.50 2.70 0.09
assign ((resid 100 and name HA )) ( (resid 36 and name HN )) 3.50 1.70 0.07
assign ((resid 190 and name HA )) ( (resid 168 and name HA )) 3.30 1.50 0.07
assign ((resid 126 and name HA )) ( (resid 193 and name HA )) 3.30 1.50 0.07
assign ((resid 128 and name HA )) ( (resid 191 and name HA )) 3.30 1.50 0.07
assign ((resid 130 and name HA )) ( (resid 189 and name HA )) 3.30 1.50 0.07
assign ((resid 165 and name HZ3 )) ( (resid 127 and name HZ )) 6.50 4.70 0.13
assign ((resid 101 and name HA )) ( (resid 128 and name HN )) 3.70 1.90 0.07
assign ((resid 127 and name HD* )) ( (resid 160 and name HD1* )) 6.00 4.20 0.12
assign ((resid 127 and name HE* )) ( (resid 156 and name HD2* )) 6.00 4.20 0.12
assign ((resid 127 and name HE* )) ( (resid 113 and name HD1* )) 6.00 4.20 0.12
assign ((resid 105 and name HD1* )) ( (resid 85 and name HD2* )) 4.00 2.20 0.08
assign ((resid 88 and name HE* )) ( (resid 34 and name HD1* )) 4.00 2.20 0.08
assign ((resid 88 and name HE* )) ( (resid 34 and name HD2* )) 4.00 2.20 0.08
assign ((resid 34 and name HD2* )) ( (resid 90 and name HG2* )) 3.50 1.70 0.07
assign ((resid 114 and name HE* )) ( (resid 156 and name HD2* )) 3.50 1.70 0.07
assign ((resid 114 and name HE* )) ( (resid 127 and name HZ )) 4.50 2.70 0.09
list of removed NOE constraints
860-> LEU 191 HN - LEU 191 HD2* 1.80 6.21 # NoRestrctn I [2.29 6.01] -- intra
993-> LYS 32 HN - GLY 97 HN 1.80 4.59 # Duplicated ( 87)
995-> THR 79 HN - VAL 54 HN 1.80 4.59 # Duplicated ( 178)
996-> THR 79 HN - ALA 56 HN 1.80 4.59 # Duplicated ( 604)
997-> VAL 81 HN - ALA 56 HN 1.80 4.59 # Same atoms-diff bounds ( 224)
998-> VAL 81 HN - ASP 58 HN 1.80 4.59 # Same atoms-diff bounds ( 603)
999-> SER 83 HN - ASP 58 HN 1.80 4.59 # Same atoms-diff bounds ( 638)
1000-> THR 55 HN - ILE 33 HN 1.80 4.59 # Duplicated ( 127)
1001-> THR 55 HN - CYS 35 HN 1.80 4.59 # Duplicated ( 144)
1002-> VAL 57 HN - CYS 35 HN 1.80 4.59 # Duplicated ( 151)
1003-> VAL 57 HN - ALA 37 HN 1.80 4.59 # Same atoms-diff bounds ( 152)
1004-> GLN 59 HN - ALA 37 HN 1.80 4.59 # Duplicated ( 646)
1006-> LEU 34 HN - VAL 99 HN 1.80 4.59 # Duplicated ( 130)
1007-> LEU 36 HN - VAL 99 HN 1.80 4.59 # Duplicated ( 994)
1010-> SER 100 HN - ILE 128 HN 1.80 4.59 # Same atoms-diff bounds ( 105)
1011-> GLY 124 HN - LYS 194 HN 1.80 3.57 # Duplicated ( 645)
1012-> PHE 127 HN - GLY 192 HN 1.80 3.57 # Same atoms-diff bounds ( 209)
1013-> LEU 129 HN - LEU 190 HN 1.80 3.57 # Duplicated ( 104)
1014-> GLY 131 HN - ILE 188 HN 1.80 3.57 # Duplicated ( 131)
1015-> LEU 191 HN - ILE 167 HN 1.80 3.57 # Duplicated ( 140)
1016-> GLN 189 HN - ASN 169 HN 1.80 3.57 # Same atoms-diff bounds ( 579)
1017-> LEU 187 HN - LEU 171 HN 1.80 4.59 # Same atoms-diff bounds ( 590)
1018-> ALA 185 HN - ARG 173 HN 1.80 3.57 # Same atoms-diff bounds ( 77)
1026-> LEU 36 HD2* - LEU 113 HD2* 1.80 5.10 # Duplicated ( 771)
1030-> VAL 117 HG1* - LEU 160 HD2* 1.80 4.08 # Same atoms-diff bounds ( 537)
1031-> VAL 117 HG2* - ILE 90 HD1* 1.80 4.08 # Same atoms-diff bounds ( 359)
1032-> LEU 113 HD1* - LEU 85 HD2* 1.80 4.08 # Duplicated ( 575)
1034-> LEU 105 HD1* - LEU 113 HD1* 1.80 4.08 # Same atoms-diff bounds ( 532)
1037-> TRP 95 HE1 - VAL 91 HN 1.80 3.06 # Duplicated ( 274)
====== TOTAL ======: 29
table of distance constraints violations
Residual Violations greater than 0.10
79-> LEU 175 HD2* - ALA 185 HN [ 1.80 4.20] 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.13]
108-> LYS 145 HN - ASP 148 HN [ 1.80 6.18] 0.08 0.02 0.00 0.07 0.03 0.00 0.04 0.00 0.00 0.05 0.08 0.03 0.06 0.00 0.05 0.05 0.04 0.13 0.00 0.05 - 14 [ 0.02 .. 0.13]
122-> VAL 24 HN - LEU 191 HD2* [ 1.80 4.13] 0.09 0.13 0.01 0.11 0.03 0.05 0.04 0.07 0.22 0.12 0.06 0.02 0.10 0.00 0.13 0.05 0.13 0.00 0.06 0.00 - 17 [ 0.01 .. 0.22]
123-> VAL 24 HN - ILE 128 HD1* [ 1.80 4.73] 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 - 4 [ 0.01 .. 0.17]
158-> LEU 163 HN - LEU 195 HD2* [ 1.80 5.24] 0.10 0.32 0.00 0.00 0.00 0.16 0.01 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.25 0.00 0.00 - 7 [ 0.01 .. 0.32]
159-> LEU 160 HD2* - LEU 163 HN [ 1.80 4.11] 0.08 0.11 0.12 0.11 0.05 0.07 0.08 0.09 0.10 0.06 0.07 0.10 0.10 0.08 0.11 0.08 0.11 0.12 0.13 0.12 - 20 [ 0.05 .. 0.13]
168-> LEU 137 HN - LEU 150 HD2* [ 1.80 5.62] 0.00 0.00 0.14 0.00 0.00 0.38 0.00 0.25 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.14 .. 0.51]
174-> SER 61 HN - VAL 62 HG1* [ 1.80 3.66] 0.01 0.03 0.07 0.01 0.04 0.07 0.02 0.00 0.04 0.06 0.03 0.06 0.12 0.03 0.02 0.07 0.05 0.06 0.01 0.04 - 19 [ 0.01 .. 0.12]
175-> LEU 163 HD1* - LEU 166 HN [ 1.80 5.27] 0.00 0.00 0.09 0.01 0.06 0.00 0.00 0.08 0.10 0.00 0.06 0.11 0.00 0.00 0.01 0.00 0.02 0.00 0.04 0.02 - 11 [ 0.01 .. 0.11]
176-> ALA 186 HN - LEU 187 HD2* [ 1.80 4.14] 0.09 0.00 0.01 0.06 0.06 0.00 0.03 0.06 0.00 0.00 0.06 0.00 0.00 0.02 0.04 0.01 0.00 0.11 0.00 0.07 - 12 [ 0.01 .. 0.11]
201-> GLN 157 HN - LEU 190 HD2* [ 1.80 4.02] 0.11 0.07 0.00 0.02 0.02 0.00 0.05 0.00 0.00 0.03 0.00 0.03 0.06 0.05 0.06 0.00 0.00 0.04 0.00 0.00 - 12 [ 0.00 .. 0.11]
202-> GLN 138 HN - LEU 147 HD2* [ 1.80 3.04] 0.06 0.08 1.78 0.14 0.06 1.62 0.00 1.74 1.55 0.10 0.05 0.06 0.08 0.00 0.16 0.04 0.05 0.00 0.05 0.12 - 17 [ 0.04 .. 1.78]
203-> LEU 149 HN - LEU 150 HD2* [ 1.80 4.63] 0.00 0.00 0.11 0.00 0.00 0.13 0.00 0.03 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.03 .. 0.13]
206-> SER 60 HN - VAL 62 HG2* [ 1.80 4.80] 0.05 0.07 0.12 0.08 0.04 0.06 0.10 0.03 0.05 0.04 0.03 0.09 0.09 0.05 0.01 0.04 0.03 0.11 0.04 0.05 - 20 [ 0.01 .. 0.12]
211-> LEU 85 HN - PHE 88 HN [ 1.80 4.82] 0.00 0.00 0.02 0.00 0.04 0.00 0.00 0.24 0.10 0.00 0.00 0.07 0.08 0.01 0.00 0.05 0.04 0.00 0.08 0.05 - 12 [ 0.00 .. 0.24]
212-> ALA 86 HN - PHE 88 HN [ 1.80 3.96] 0.02 0.00 0.19 0.09 0.06 0.10 0.06 0.10 0.11 0.03 0.03 0.08 0.09 0.09 0.16 0.06 0.05 0.07 0.06 0.05 - 19 [ 0.02 .. 0.19]
225-> LEU 163 HD1* - TRP 165 HN [ 1.80 4.81] 0.06 0.00 0.11 0.11 0.09 0.13 0.12 0.12 0.05 0.07 0.09 0.04 0.11 0.10 0.16 0.12 0.14 0.00 0.09 0.09 - 19 [ 0.00 .. 0.16]
226-> VAL 57 HG1* - GLN 82 HN [ 1.80 4.35] 0.08 0.12 0.08 0.03 0.06 0.25 0.05 0.00 0.03 0.04 0.06 0.04 0.18 0.27 0.10 0.15 0.05 0.09 0.08 0.10 - 19 [ 0.03 .. 0.27]
228-> LEU 147 HN - LEU 147 HD1* [ 1.80 3.19] 0.18 0.16 0.00 0.12 0.15 0.00 0.06 0.00 0.00 0.11 0.14 0.19 0.13 1.08 0.21 0.09 0.21 0.00 0.11 0.26 - 15 [ 0.06 .. 1.08]
229-> LEU 147 HN - LEU 147 HD2* [ 1.80 3.59] 0.00 0.00 0.45 0.00 0.00 0.34 0.00 0.47 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 - 6 [ 0.00 .. 0.65]
230-> LEU 147 HN - LEU 150 HD2* [ 1.80 5.29] 0.05 0.05 0.00 0.08 0.05 0.00 0.12 0.00 0.00 0.09 0.00 0.03 0.06 0.00 0.03 0.06 0.00 0.13 0.08 0.00 - 12 [ 0.03 .. 0.13]
232-> LEU 137 HD2* - LEU 147 HN [ 1.80 3.55] 1.41 1.50 0.00 1.50 1.51 0.00 0.13 0.00 0.00 1.52 1.42 1.45 1.36 0.40 1.46 1.31 1.24 1.74 1.44 1.34 - 16 [ 0.13 .. 1.74]
242-> ALA 133 HN - LEU 147 HD2* [ 1.80 5.68] 0.04 0.02 0.00 0.04 0.04 0.00 0.04 0.00 0.00 0.01 0.10 0.00 0.07 0.00 0.08 0.00 0.00 0.00 0.00 0.00 - 10 [ 0.00 .. 0.10]
243-> ALA 133 HN - LEU 150 HD1* [ 1.80 3.87] 0.07 0.00 0.09 0.00 0.00 0.09 0.07 0.02 0.00 0.00 0.02 0.01 0.00 0.12 0.03 0.03 0.00 0.00 0.00 0.00 - 11 [ 0.00 .. 0.12]
249-> VAL 81 HG1* - ASN 84 HN [ 1.80 4.42] 0.00 0.16 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.01 0.00 0.00 0.18 0.15 0.00 0.27 0.00 0.00 0.00 0.00 - 6 [ 0.01 .. 0.27]
250-> VAL 57 HG2* - ASN 84 HN [ 1.80 4.88] 0.10 0.15 0.00 0.03 0.03 0.11 0.10 0.06 0.00 0.09 0.02 0.03 0.17 0.24 0.03 0.16 0.00 0.01 0.03 0.06 - 17 [ 0.01 .. 0.24]
259-> ALA 71 HN - ILE 78 HD1* [ 1.80 4.19] 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.03 0.14 0.07 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.00 .. 0.14]
266-> VAL 117 HG2* - TYR 118 HN [ 1.80 3.41] 0.36 0.29 0.25 0.24 0.30 0.35 0.30 0.29 0.34 0.33 0.38 0.29 0.36 0.38 0.27 0.32 0.30 0.36 0.25 0.25 - 20 [ 0.24 .. 0.38]
269-> LYS 145 HN - LEU 149 HD1* [ 1.80 3.75] 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.10 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.00 .. 0.10]
270-> LEU 121 HD1* - GLY 124 HN [ 1.80 4.75] 0.02 0.23 0.05 0.01 0.00 0.00 0.03 0.21 0.00 0.01 0.00 0.00 0.03 0.07 0.00 0.00 0.00 0.29 0.02 0.01 - 13 [ 0.00 .. 0.29]
272-> GLY 124 HN - LEU 163 HD2* [ 1.80 6.15] 0.09 0.12 0.13 0.14 0.22 0.13 0.11 0.10 0.15 0.08 0.14 0.13 0.10 0.34 0.07 0.09 0.15 0.14 0.13 0.11 - 20 [ 0.07 .. 0.34]
273-> VAL 22 HG2* - SER 23 HN [ 1.80 3.25] 0.15 0.39 0.00 0.68 0.06 0.00 0.06 0.00 0.69 0.00 0.00 0.13 0.00 0.00 0.29 0.00 0.00 0.00 0.10 0.00 - 9 [ 0.06 .. 0.69]
295-> LEU 153 HN - LEU 190 HD2* [ 1.80 5.18] 0.14 0.14 0.12 0.12 0.11 0.13 0.12 0.08 0.10 0.12 0.14 0.12 0.12 0.10 0.13 0.16 0.13 0.09 0.14 0.09 - 20 [ 0.08 .. 0.16]
296-> LEU 137 HD1* - LEU 149 HN [ 1.80 3.99] 0.29 0.21 0.27 0.11 0.24 0.41 0.71 0.36 0.45 0.15 0.27 0.33 0.28 0.00 0.13 0.50 0.46 0.00 0.25 0.40 - 18 [ 0.11 .. 0.71]
300-> ILE 101 HD1* - PHE 102 HN [ 1.80 4.43] 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
310-> ARG 173 HN - LEU 187 HD1* [ 1.80 3.73] 0.10 0.10 0.12 0.12 0.12 0.09 0.12 0.10 0.02 0.05 0.13 0.07 0.02 0.10 0.13 0.06 0.06 0.11 0.06 0.08 - 20 [ 0.02 .. 0.13]
311-> GLY 51 HN - VAL 76 HG1* [ 1.80 3.74] 0.00 0.08 0.02 0.00 0.09 0.05 0.04 0.29 0.00 0.00 0.00 0.08 0.02 0.01 0.01 0.13 0.12 0.14 0.00 0.03 - 14 [ 0.01 .. 0.29]
313-> GLY 31 HN - ILE 33 HD1* [ 1.80 4.52] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 - 2 [ 0.02 .. 0.11]
334-> ILE 90 HN - VAL 91 HG2* [ 1.80 3.51] 0.11 0.13 0.07 0.15 0.03 0.22 0.11 0.13 0.15 0.18 0.06 0.13 0.15 0.39 0.13 0.17 0.10 0.37 0.15 0.17 - 20 [ 0.03 .. 0.39]
343-> LEU 137 HD1* - ASP 146 HN [ 1.80 3.41] 0.00 0.00 0.12 0.00 0.00 0.12 0.00 0.13 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.12 .. 0.20]
346-> LEU 175 HD2* - LYS 184 HN [ 1.80 5.54] 0.67 0.00 0.04 0.00 0.03 0.00 0.00 0.00 0.00 0.05 0.02 0.01 0.00 0.01 0.03 0.00 0.00 0.00 0.05 0.05 - 10 [ 0.01 .. 0.67]
351-> TYR 114 HN - VAL 117 HG2* [ 1.80 4.25] 0.10 0.09 0.04 0.03 0.03 0.09 0.02 0.06 0.00 0.12 0.00 0.11 0.00 0.02 0.03 0.14 0.26 0.10 0.13 0.07 - 18 [ 0.00 .. 0.26]
358-> ILE 90 HD1* - LEU 113 HD1* [ 1.80 3.04] 0.31 0.18 0.07 0.05 0.03 0.01 0.10 0.03 0.04 0.04 0.06 0.10 0.09 0.11 0.07 0.02 0.07 0.08 0.07 0.01 - 20 [ 0.01 .. 0.31]
367-> LEU 21 HD1* - ILE 128 HD1* [ 1.80 3.11] 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.07 0.16 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.01 .. 0.16]
382-> VAL 24 HN - ILE 167 HD1* [ 1.80 5.32] 0.54 0.76 0.29 0.22 0.15 0.20 0.13 0.53 0.21 0.43 0.59 0.37 0.55 0.08 0.44 0.26 0.77 0.53 0.58 0.33 - 20 [ 0.08 .. 0.77]
392-> GLY 63 HN - LEU 64 HD2* [ 1.80 5.31] 0.08 0.09 0.06 0.12 0.10 0.03 0.11 0.11 0.12 0.12 0.15 0.08 0.01 0.05 0.14 0.03 0.08 0.04 0.09 0.11 - 20 [ 0.01 .. 0.15]
399-> LEU 34 HN - VAL 99 HG2* [ 1.80 6.31] 0.04 0.09 0.12 0.13 0.09 0.03 0.09 0.04 0.02 0.00 0.12 0.06 0.06 0.14 0.05 0.04 0.11 0.04 0.03 0.08 - 19 [ 0.02 .. 0.14]
404-> LEU 21 HD2* - LEU 47 HD2* [ 1.80 3.09] 0.00 0.00 0.00 0.01 0.01 0.12 0.12 0.00 0.05 0.00 0.03 0.00 0.00 0.08 0.00 0.03 0.00 0.00 0.03 0.00 - 10 [ 0.00 .. 0.12]
410-> LEU 137 HD2* - LEU 150 HD2* [ 1.80 4.02] 0.00 0.00 1.04 0.00 0.00 1.15 0.00 1.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 1.04 .. 1.31]
416-> LEU 175 HD1* - ALA 186 HN [ 1.80 5.84] 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.53 .. 0.53]
453-> TYR 118 HN - LEU 121 HD2* [ 1.80 5.46] 0.01 0.00 0.00 0.03 0.04 0.12 0.04 0.00 0.00 0.00 0.01 0.02 0.02 0.03 0.07 0.11 0.07 0.09 0.07 0.01 - 15 [ 0.01 .. 0.12]
465-> ASP 89 HN - LEU 113 HD1* [ 1.80 6.15] 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 0.17 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
498-> LEU 156 HD2* - LEU 160 HD1* [ 1.80 3.92] 0.05 0.09 0.05 0.07 0.08 0.03 0.12 0.06 0.02 0.04 0.04 0.06 0.02 0.08 0.01 0.00 0.03 0.11 0.03 0.07 - 19 [ 0.01 .. 0.12]
504-> VAL 22 HG2* - VAL 24 HN [ 1.80 4.91] 0.17 0.28 0.00 0.58 0.07 0.00 0.04 0.00 0.61 0.00 0.00 0.11 0.00 0.00 0.30 0.00 0.00 0.00 0.08 0.00 - 9 [ 0.04 .. 0.61]
507-> ALA 37 HN - VAL 57 HG2* [ 1.80 4.26] 0.00 0.39 0.06 0.21 0.13 0.01 0.14 0.11 0.00 0.00 0.00 0.01 0.35 0.30 0.00 0.08 0.00 0.05 0.36 0.00 - 13 [ 0.01 .. 0.39]
510-> LEU 137 HD1* - LEU 150 HN [ 1.80 4.75] 0.04 0.04 0.10 0.02 0.00 0.35 0.50 0.18 0.43 0.02 0.06 0.06 0.03 0.00 0.01 0.11 0.06 0.00 0.06 0.06 - 17 [ 0.01 .. 0.50]
518-> VAL 117 HG1* - LEU 121 HD1* [ 1.80 3.50] 0.00 0.00 0.11 0.04 0.05 0.04 0.03 0.00 0.03 0.00 0.00 0.05 0.00 0.00 0.04 0.08 0.07 0.00 0.07 0.03 - 12 [ 0.03 .. 0.11]
523-> GLN 138 HN - LEU 150 HD1* [ 1.80 6.28] 0.00 0.00 0.10 0.00 0.00 0.06 0.00 0.01 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.25]
532-> LEU 105 HD1* - LEU 113 HD1* [ 1.80 3.59] 0.05 0.06 0.02 0.04 0.00 0.00 0.03 0.00 0.13 0.00 0.12 0.01 0.04 0.05 0.04 0.00 0.00 0.02 0.00 0.01 - 13 [ 0.01 .. 0.13]
535-> LYS 74 HN - VAL 76 HG1* [ 1.80 4.85] 0.03 0.04 0.00 0.00 0.05 0.11 0.08 0.11 0.00 0.00 0.00 0.00 0.09 0.12 0.01 0.05 0.02 0.02 0.05 0.13 - 14 [ 0.01 .. 0.13]
547-> LEU 36 HD2* - VAL 81 HG1* [ 1.80 5.04] 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.30 0.00 0.00 0.00 0.02 - 4 [ 0.02 .. 0.30]
560-> LEU 47 HD2* - LEU 50 HD2* [ 1.80 4.23] 0.00 0.01 0.02 0.00 0.00 0.01 0.01 0.11 0.00 0.00 0.02 0.07 0.05 0.00 0.00 0.00 0.05 0.02 0.06 0.02 - 12 [ 0.01 .. 0.11]
563-> LEU 50 HD1* - VAL 54 HG2* [ 1.80 4.52] 0.07 0.10 0.10 0.14 0.07 0.03 0.09 0.13 0.11 0.17 0.23 0.25 0.07 0.00 0.05 0.00 0.12 0.15 0.02 0.13 - 18 [ 0.02 .. 0.25]
569-> LEU 137 HD2* - LEU 147 HD2* [ 1.80 3.18] 0.16 0.18 0.03 0.17 0.16 0.00 0.00 0.04 0.03 0.16 0.11 0.15 0.14 0.43 0.12 0.07 0.08 0.19 0.13 0.19 - 18 [ 0.03 .. 0.43]
570-> LEU 137 HD2* - LYS 145 HN [ 1.80 4.66] 0.00 0.00 0.00 0.02 0.00 0.11 0.03 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 - 6 [ 0.00 .. 0.20]
593-> LYS 152 HN - THR 155 HN [ 1.80 4.52] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 - 5 [ 0.00 .. 0.23]
596-> ASN 164 HN - LEU 195 HN [ 1.80 4.96] 0.15 0.00 0.05 0.00 0.04 0.09 0.04 0.05 0.08 0.11 0.10 0.14 0.00 0.03 0.00 0.11 0.04 0.00 0.07 0.00 - 15 [ 0.00 .. 0.15]
622-> ALA 133 HN - LEU 137 HN [ 1.80 6.60] 0.00 0.00 0.06 0.00 0.00 0.03 0.00 0.06 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.03 .. 0.37]
623-> ALA 133 HN - GLN 136 HN [ 1.80 4.75] 0.00 0.00 0.00 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 - 1 [ 0.23 .. 0.23]
628-> LYS 145 HN - LEU 147 HN [ 1.80 5.81] 0.00 0.00 0.00 0.09 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.10 0.21 0.00 0.00 - 5 [ 0.02 .. 0.21]
632-> ASP 146 HN - LEU 150 HN [ 1.80 6.60] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 - 1 [ 0.13 .. 0.13]
635-> LEU 113 HN - TYR 114 HN [ 1.80 2.64] 0.03 0.07 0.03 0.07 0.04 0.10 0.09 0.02 0.07 0.10 0.08 0.14 0.06 0.05 0.08 0.11 0.12 0.07 0.10 0.06 - 20 [ 0.02 .. 0.14]
658-> ALA 133 HN - ALA 186 HN [ 1.80 5.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 - 1 [ 0.44 .. 0.44]
664-> ILE 98 HD1* - VAL 117 HG1* [ 1.80 4.09] 0.07 0.52 0.55 0.63 0.48 0.59 0.51 0.39 0.39 0.32 0.06 0.56 0.36 0.10 0.63 0.49 0.48 0.09 0.78 0.58 - 20 [ 0.06 .. 0.78]
665-> ILE 98 HD1* - LEU 121 HD2* [ 1.80 4.18] 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.10 0.00 0.00 - 3 [ 0.10 .. 0.14]
670-> LEU 36 HD2* - LEU 113 HD1* [ 1.80 4.50] 0.00 0.00 0.00 0.02 0.03 0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.11 0.00 - 6 [ 0.01 .. 0.11]
701-> LEU 137 HD2* - LEU 147 HD1* [ 1.80 4.87] 0.35 0.44 0.00 0.43 0.37 0.00 0.00 0.00 0.00 0.45 0.20 0.30 0.33 0.47 0.24 0.14 0.12 0.08 0.34 0.26 - 15 [ 0.08 .. 0.47]
721-> LEU 175 HD2* - LEU 187 HD1* [ 1.80 4.99] 0.00 0.00 0.00 0.00 0.04 0.00 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.11 0.02 0.00 - 6 [ 0.01 .. 0.11]
732-> LEU 147 HD2* - LEU 150 HD2* [ 1.80 3.43] 0.08 0.06 0.00 0.05 0.08 0.00 0.03 0.00 0.00 0.02 0.13 0.15 0.07 0.29 0.13 0.32 0.21 0.00 0.12 0.11 - 15 [ 0.02 .. 0.32]
741-> LEU 47 HD2* - VAL 99 HG2* [ 1.80 3.47] 0.05 0.00 0.06 0.01 0.06 0.09 0.06 0.10 0.00 0.03 0.05 0.11 0.04 0.07 0.04 0.01 0.06 0.00 0.12 0.01 - 18 [ 0.00 .. 0.12]
746-> LEU 160 HD1* - LEU 163 HD1* [ 1.80 4.91] 0.03 0.04 0.00 0.04 0.11 0.01 0.03 0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.02 0.00 0.00 0.00 - 10 [ 0.01 .. 0.11]
755-> LEU 70 HD1* - ILE 78 HD1* [ 1.80 5.98] 0.06 0.07 0.57 0.02 0.06 0.11 0.05 0.09 0.13 0.03 0.19 0.11 0.07 0.08 0.16 0.16 0.06 0.06 0.09 0.05 - 20 [ 0.02 .. 0.57]
758-> LEU 137 HD2* - LEU 150 HD1* [ 1.80 4.39] 0.00 0.00 0.24 0.00 0.00 0.25 0.00 0.25 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.24 .. 0.35]
765-> LEU 47 HD2* - ILE 128 HD1* [ 1.80 5.41] 0.03 0.00 0.02 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 0.00 0.00 0.00 0.18 - 4 [ 0.02 .. 0.18]
776-> LEU 153 HD1* - LEU 190 HD1* [ 1.80 4.50] 0.10 0.04 0.05 0.07 0.05 0.03 0.05 0.04 0.00 0.05 0.11 0.05 0.09 0.03 0.08 0.07 0.04 0.05 0.07 0.04 - 19 [ 0.03 .. 0.11]
777-> LEU 64 HD1* - SER 83 HN [ 1.80 4.11] 0.00 0.48 0.00 0.01 0.00 0.08 0.01 0.00 0.05 0.05 0.02 0.00 0.12 0.08 0.10 0.35 0.05 0.00 0.07 0.02 - 15 [ 0.00 .. 0.48]
790-> ASN 84 HN - LEU 85 HD2* [ 1.80 3.75] 0.00 0.25 0.00 0.01 0.00 0.60 0.00 0.00 0.00 0.00 0.02 0.00 0.39 0.35 0.02 0.17 0.00 0.00 0.00 0.00 - 9 [ 0.00 .. 0.60]
791-> LEU 121 HD2* - PHE 127 HN [ 1.80 4.86] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.14]
801-> LEU 113 HD1* - LYS 116 HN [ 1.80 4.57] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.05 0.00 0.22 0.00 0.01 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.00 .. 0.22]
806-> LEU 166 HD2* - GLN 193 HN [ 1.80 4.36] 0.00 0.00 0.06 0.00 0.00 0.05 0.02 0.20 0.06 0.00 0.04 0.06 0.02 0.02 0.01 0.04 0.06 0.00 0.06 0.02 - 15 [ 0.00 .. 0.20]
811-> ASP 146 HN - LEU 147 HD1* [ 1.80 5.97] 0.98 0.92 0.00 0.87 0.92 0.00 0.84 0.00 0.00 0.90 0.86 0.92 0.90 0.00 0.83 0.88 0.95 0.00 0.89 1.04 - 14 [ 0.83 .. 1.04]
814-> LEU 147 HN - LEU 150 HD1* [ 1.80 4.68] 0.00 0.07 0.20 0.04 0.00 0.06 0.09 0.10 0.07 0.01 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.05 0.05 0.00 - 13 [ 0.00 .. 0.20]
822-> ILE 90 HD1* - LYS 116 HN [ 1.80 5.49] 0.03 0.09 0.13 0.14 0.09 0.09 0.03 0.02 0.12 0.09 0.00 0.08 0.28 0.02 0.09 0.06 0.05 0.00 0.06 0.07 - 18 [ 0.02 .. 0.28]
827-> LEU 34 HD1* - LEU 36 HN [ 1.80 4.86] 0.05 0.05 0.08 0.07 0.13 0.00 0.09 0.10 0.05 0.06 0.02 0.13 0.03 0.04 0.06 0.03 0.08 0.08 0.05 0.05 - 19 [ 0.02 .. 0.13]
840-> ILE 98 HD1* - LEU 121 HN [ 1.80 4.58] 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 - 3 [ 0.00 .. 0.13]
841-> LEU 137 HD2* - ASP 146 HN [ 1.80 4.84] 0.04 0.00 0.00 0.03 0.06 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.01 0.00 0.00 0.03 0.00 0.33 0.10 0.02 - 9 [ 0.01 .. 0.33]
853-> LEU 34 HD1* - VAL 81 HN [ 1.80 5.63] 0.00 0.04 0.08 0.06 0.00 0.03 0.04 0.02 0.00 0.00 0.08 0.01 0.01 0.05 0.04 0.04 0.08 0.13 0.07 0.02 - 17 [ 0.00 .. 0.13]
854-> GLY 131 HN - LEU 153 HD2* [ 1.80 4.29] 0.54 0.13 0.31 0.11 0.09 0.19 0.12 0.30 0.12 0.23 0.24 0.43 0.40 0.20 0.14 0.25 0.17 0.94 0.35 0.22 - 20 [ 0.09 .. 0.94]
868-> VAL 22 HN - VAL 22 HG2* [ 1.80 3.25] 0.54 0.56 0.00 0.00 0.48 0.00 0.48 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.53 0.00 0.00 0.00 0.55 0.00 - 7 [ 0.48 .. 0.56]
875-> LEU 105 HD2* - LEU 109 HN [ 1.80 5.25] 0.04 0.01 0.04 0.00 0.00 0.01 0.00 0.00 0.00 0.03 0.00 0.00 0.02 0.00 0.05 0.06 0.01 0.04 0.12 0.01 - 13 [ 0.00 .. 0.12]
885-> LEU 50 HN - VAL 54 HG2* [ 1.80 4.63] 0.14 0.16 0.23 0.15 0.30 0.15 0.17 0.20 0.15 0.16 0.20 0.25 0.27 0.10 0.14 0.15 0.24 0.25 0.13 0.15 - 20 [ 0.10 .. 0.30]
891-> GLY 125 HN - LEU 163 HD2* [ 1.80 5.56] 0.10 0.28 0.02 0.02 0.08 0.05 0.07 0.07 0.04 0.05 0.02 0.05 0.04 0.19 0.06 0.06 0.06 0.13 0.04 0.07 - 20 [ 0.02 .. 0.28]
900-> LEU 153 HN - LEU 190 HD1* [ 1.80 4.69] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.12 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.06 0.00 0.00 - 4 [ 0.03 .. 0.12]
907-> ILE 33 HN - VAL 54 HG2* [ 1.80 3.95] 0.00 0.00 0.11 0.06 0.10 0.08 0.11 0.08 0.06 0.01 0.03 0.02 0.09 0.06 0.04 0.04 0.10 0.00 0.00 0.06 - 16 [ 0.01 .. 0.11]
910-> VAL 81 HG1* - GLN 82 HN [ 1.80 2.64] 0.00 0.11 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.06 0.00 0.08 0.00 0.00 0.00 0.00 - 5 [ 0.02 .. 0.11]
913-> LEU 137 HD1* - ASP 148 HN [ 1.80 3.69] 0.39 0.39 0.00 0.39 0.40 0.00 0.60 0.00 0.00 0.40 0.39 0.40 0.43 0.12 0.33 0.47 0.42 0.17 0.38 0.41 - 16 [ 0.12 .. 0.60]
914-> LEU 147 HD1* - ASP 148 HN [ 1.80 4.00] 0.74 0.75 0.41 0.77 0.80 0.26 0.64 0.33 0.30 0.85 0.80 0.75 0.85 1.24 0.97 0.72 0.79 0.41 0.75 0.81 - 20 [ 0.26 .. 1.24]
915-> LEU 137 HD2* - ASP 148 HN [ 1.80 6.29] 0.07 0.03 0.00 0.02 0.09 0.00 0.00 0.00 0.00 0.03 0.07 0.12 0.09 0.00 0.13 0.04 0.11 0.07 0.00 0.15 - 13 [ 0.02 .. 0.15]
934-> LEU 137 HD1* - LYS 145 HN [ 1.80 3.86] 0.00 0.00 0.00 0.03 0.00 0.09 0.00 0.08 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 - 5 [ 0.03 .. 0.13]
936-> LEU 153 HD2* - GLN 157 HN [ 1.80 4.29] 0.48 0.49 0.36 0.42 0.57 0.44 0.59 0.25 0.51 0.51 0.16 0.37 0.35 0.59 0.53 0.51 0.42 0.43 0.15 0.46 - 20 [ 0.15 .. 0.59]
954-> LEU 70 HN - ILE 78 HD1* [ 1.80 5.73] 0.12 0.08 0.07 0.00 0.13 0.10 0.12 0.15 0.02 0.12 0.04 0.13 0.12 0.10 0.00 0.09 0.18 0.10 0.05 0.14 - 19 [ 0.00 .. 0.18]
955-> ARG 173 HN - LEU 187 HD2* [ 1.80 4.76] 0.02 0.03 0.00 0.00 0.03 0.00 0.00 0.00 0.04 0.12 0.00 0.01 0.09 0.03 0.00 0.06 0.06 0.00 0.05 0.00 - 12 [ 0.00 .. 0.12]
964-> LYS 116 HN - VAL 117 HG2* [ 1.80 3.53] 0.51 0.44 0.35 0.31 0.50 0.48 0.49 0.50 0.22 0.35 0.28 0.51 0.14 0.52 0.45 0.52 0.47 0.55 0.42 0.31 - 20 [ 0.14 .. 0.55]
974-> ILE 128 HN - LEU 129 HD2* [ 1.80 5.04] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
986-> GLN 138 HN - LEU 147 HD1* [ 1.80 5.44] 0.00 0.00 0.25 0.00 0.00 0.54 0.00 0.38 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.25 .. 0.54]
988-> VAL 117 HG2* - LEU 121 HN [ 1.80 4.71] 0.09 0.26 0.00 0.06 0.00 0.00 0.06 0.00 0.05 0.09 0.05 0.03 0.05 0.26 0.05 0.00 0.00 0.26 0.03 0.06 - 15 [ 0.00 .. 0.26]
994-> LEU 36 HN - VAL 99 HN [ 1.80 4.59] 0.02 0.05 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.10 0.00 0.00 0.03 0.00 0.01 0.06 0.00 0.02 0.06 0.03 - 10 [ 0.01 .. 0.10]
1004-> GLN 59 HN - ALA 37 HN [ 1.80 4.59] 0.76 0.36 0.50 0.07 0.22 0.68 0.42 0.15 0.88 0.95 0.62 0.54 0.52 0.92 0.46 0.18 0.94 0.33 0.30 0.74 - 20 [ 0.07 .. 0.95]
1007-> LEU 36 HN - VAL 99 HN [ 1.80 4.59] 0.02 0.05 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.10 0.00 0.00 0.03 0.00 0.01 0.06 0.00 0.02 0.06 0.03 - 10 [ 0.01 .. 0.10]
1011-> GLY 124 HN - LYS 194 HN [ 1.80 3.57] 0.14 0.00 0.13 0.08 0.15 0.42 0.08 0.43 0.52 0.09 0.62 0.13 0.10 0.15 0.10 0.07 0.31 0.00 0.49 0.24 - 18 [ 0.07 .. 0.62]
1021-> VAL 126 HA - GLN 193 HA [ 1.80 3.37] 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.08 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.03 0.00 - 5 [ 0.03 .. 0.13]
1025-> ILE 101 HA - ILE 128 HN [ 1.80 3.77] 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.13 0.05 0.14 0.00 0.03 0.00 0.00 0.04 0.09 0.14 0.15 0.03 - 12 [ 0.00 .. 0.15]
1026-> LEU 36 HD2* - LEU 113 HD2* [ 1.80 5.10] 0.00 0.03 0.02 0.02 0.07 0.08 0.04 0.01 0.00 0.04 0.00 0.07 0.00 0.05 0.03 0.09 0.07 0.00 0.14 0.06 - 15 [ 0.01 .. 0.14]
1033-> LEU 105 HD1* - LEU 85 HD2* [ 1.80 4.08] 0.02 0.15 0.00 0.06 0.07 0.09 0.01 0.07 0.04 0.02 0.00 0.04 0.18 0.11 0.03 0.12 0.07 0.00 0.12 0.09 - 17 [ 0.01 .. 0.18]
1037-> TRP 95 HE1 - VAL 91 HN [ 1.80 3.06] 0.01 0.18 0.09 0.09 0.07 0.05 0.05 0.13 0.06 0.03 0.00 0.09 0.07 0.12 0.08 0.10 0.02 0.07 0.08 0.04 - 19 [ 0.01 .. 0.18]
1043-> VAL 22 O - ASN 26 HN [ 1.80 2.55] 0.00 0.00 0.06 0.00 0.00 0.04 0.05 0.00 0.00 0.03 0.01 0.00 0.00 0.02 0.00 0.03 0.00 0.00 0.00 0.12 - 8 [ 0.01 .. 0.12]
1045-> SER 23 O - GLN 27 HN [ 1.80 2.55] 0.13 0.09 0.30 0.08 0.23 0.24 0.12 0.26 0.10 0.12 0.09 0.15 0.10 0.12 0.11 0.24 0.12 0.11 0.13 0.24 - 20 [ 0.08 .. 0.30]
1057-> PHE 46 O - LEU 50 HN [ 1.80 2.55] 0.08 0.04 0.07 0.04 0.10 0.00 0.05 0.09 0.09 0.10 0.04 0.09 0.22 0.01 0.06 0.10 0.10 0.06 0.05 0.00 - 18 [ 0.01 .. 0.22]
1085-> ARG 110 O - TYR 114 HN [ 1.80 2.55] 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.02 0.07 0.00 - 5 [ 0.02 .. 0.10]
1089-> TYR 114 O - TYR 118 HN [ 1.80 2.55] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.11]
1108-> LYS 32 O - GLU 96 HN [ 1.80 2.55] 0.00 0.11 0.00 0.08 0.00 0.10 0.10 0.12 0.10 0.13 0.00 0.09 0.09 0.08 0.16 0.09 0.00 0.00 0.06 0.00 - 13 [ 0.06 .. 0.16]
1110-> GLY 124 O - ILE 98 HN [ 1.80 2.55] 0.14 0.15 0.14 0.16 0.15 0.11 0.16 0.13 0.15 0.21 0.15 0.18 0.17 0.19 0.19 0.19 0.14 0.16 0.13 0.23 - 20 [ 0.11 .. 0.23]
1116-> PHE 102 HN - ILE 128 O [ 1.80 2.55] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 - 3 [ 0.01 .. 0.36]
-------------------------------------------
Number of Violations greater than 0.10 32 43 35 32 27 41 31 41 42 36 30 36 38 37 38 34 35 40 33 31
-------------------------------------------
---- Summary Of Residual Distance Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 17 21 18 18 12 22 20 21 18 23 16 20 20 19 23 18 19 23 18 14 19.00
0.2 - 0.5 ang: 6 16 13 7 10 13 4 17 15 8 8 9 13 13 9 10 11 13 9 12 10.80
> 0.5 ang: 9 6 4 7 5 6 7 3 9 5 6 7 5 5 6 6 5 4 6 5 5.80
Total : 118 120 116 125 115 122 125 123 128 115 120 119 117 118 131 122 107 123 123 120 120.35
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 1.407 1.505 1.776 1.503 1.507 1.616 0.840 1.739 1.548 1.523 1.425 1.454 1.365 1.236 1.459 1.309 1.237 1.739 1.443 1.336 1.776
Max Intra Viol : 0.542 0.560 0.447 0.117 0.476 0.337 0.477 0.471 0.649 0.111 0.137 0.559 0.131 1.084 0.527 0.090 0.211 0.142 0.553 0.257 1.084
Max Seque Viol : 0.984 0.920 0.414 0.874 0.921 0.602 0.840 0.497 0.686 0.898 0.856 0.923 0.900 1.236 0.972 0.878 0.949 0.545 0.885 1.042 1.236
Max Medium Viol : 0.481 0.490 0.360 0.577 0.571 0.444 0.585 0.256 0.614 0.515 0.232 0.373 0.346 0.586 0.531 0.508 0.423 0.435 0.150 0.457 0.614
Max Long Viol : 1.407 1.505 1.776 1.503 1.507 1.616 0.714 1.739 1.548 1.523 1.425 1.454 1.365 0.924 1.459 1.309 1.237 1.739 1.443 1.336 1.776
Average Violation : 0.013 0.015 0.012 0.012 0.012 0.014 0.011 0.013 0.016 0.012 0.011 0.013 0.013 0.012 0.013 0.012 0.012 0.013 0.013 0.012 0.01263
Avge Intra Viol : 0.010 0.010 0.008 0.002 0.009 0.004 0.008 0.008 0.010 0.003 0.003 0.011 0.003 0.015 0.011 0.001 0.004 0.003 0.009 0.005 0.00694
Avge Seque Viol : 0.011 0.015 0.013 0.013 0.013 0.011 0.013 0.014 0.016 0.010 0.010 0.013 0.014 0.013 0.013 0.013 0.012 0.016 0.011 0.012 0.01281
Avge Mediu Viol : 0.011 0.012 0.005 0.011 0.010 0.008 0.010 0.005 0.007 0.010 0.009 0.011 0.010 0.011 0.012 0.011 0.010 0.007 0.009 0.010 0.00934
Avge Long Viol : 0.016 0.017 0.016 0.014 0.013 0.020 0.011 0.017 0.021 0.015 0.014 0.014 0.015 0.013 0.013 0.014 0.015 0.016 0.016 0.014 0.01528
RMS Violation : 0.079 0.081 0.078 0.075 0.073 0.082 0.060 0.078 0.089 0.076 0.071 0.075 0.073 0.074 0.075 0.070 0.076 0.076 0.075 0.073 0.07548
RMS Intra : 0.064 0.065 0.052 0.013 0.056 0.037 0.054 0.053 0.072 0.015 0.018 0.066 0.017 0.120 0.063 0.010 0.025 0.018 0.063 0.031 0.05299
RMS Sequential : 0.042 0.053 0.046 0.055 0.052 0.042 0.049 0.045 0.066 0.043 0.034 0.045 0.045 0.053 0.049 0.053 0.047 0.054 0.031 0.044 0.04805
RMS Medium range : 0.081 0.081 0.036 0.082 0.079 0.054 0.071 0.040 0.051 0.078 0.074 0.078 0.079 0.087 0.083 0.077 0.079 0.051 0.074 0.081 0.07239
RMS Long range : 0.090 0.092 0.104 0.083 0.078 0.107 0.059 0.104 0.113 0.090 0.084 0.083 0.083 0.063 0.081 0.077 0.087 0.098 0.089 0.082 0.08832
Final --global-- Summary for 20 models, 1132 NOEs/model, 22640 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 286.047
Summ sq. viol : 128.985
Maximum viol : 1.776
Average viol : 0.01263
RMSD viol : 0.07548
Std. Dev. viol : 0.07441
RMS Intra : 0.05299
RMS Seque : 0.04805
RMS Medi : 0.07239
RMS Long : 0.08832
table of dihedral angle constraints violations
6-> [SER A 23] PSI -50.3 -6.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 - 1 [ 0.0 .. 1.2]
19-> [GLY A 31] PHI 97.2 -122.8 23.7 21.4 22.1 27.8 24.0 25.0 19.9 17.8 20.6 26.3 27.8 27.7 19.8 27.8 25.8 28.1 24.0 27.4 16.5 25.8 - 20 [ 16.5 .. 28.1]
20-> [GLY A 31] PSI 85.3 -134.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.9 0.4 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 3.9]
62-> [VAL A 57] PSI 120.0 160.0 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 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.5]
114-> [SER A 83] PSI 100.1 177.2 0.0 20.0 0.0 0.0 0.0 14.0 0.0 0.0 0.0 0.0 0.0 0.0 17.0 20.7 0.0 20.4 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 20.7]
115-> [ASN A 84] PHI -140.7 -21.6 9.2 8.9 0.0 0.0 5.1 14.4 3.4 5.7 18.4 8.0 7.3 0.0 11.9 12.1 0.0 6.2 8.9 0.0 0.0 4.3 - 14 [ 0.0 .. 18.4]
116-> [ASN A 84] PSI 99.3 -175.1 28.5 0.0 32.5 28.3 29.4 0.0 18.8 32.4 9.0 28.8 13.3 25.5 0.0 0.0 29.5 0.0 10.6 24.5 27.2 15.2 - 15 [ 0.0 .. 32.5]
142-> [PHE A 102] PHI -160.4 -20.4 12.3 0.0 15.4 12.0 15.5 11.1 0.0 12.9 11.3 15.3 15.4 12.0 13.2 15.3 0.0 15.3 13.0 12.0 0.0 15.4 - 16 [ 0.0 .. 15.5]
143-> [PHE A 102] PSI 111.4 167.6 3.4 0.0 0.0 5.9 6.0 6.3 0.0 6.5 6.5 2.6 8.0 3.1 3.3 6.3 0.0 0.0 6.4 6.4 0.0 0.0 - 13 [ 0.0 .. 8.0]
144-> [CYS A 103] PHI -140.3 -47.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 9.1]
147-> [HIS A 104] PSI 105.5 153.9 0.0 0.0 0.5 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.9 0.0 0.0 0.0 16.9 0.0 0.0 0.0 5.9 - 5 [ 0.0 .. 16.9]
181-> [GLY A 124] PHI 65.5 120.4 0.0 0.0 3.3 1.5 1.5 2.2 0.0 4.3 3.3 0.0 4.3 0.0 0.0 0.0 0.0 0.0 3.3 0.0 2.7 0.0 - 9 [ 0.0 .. 4.3]
188-> [PHE A 127] PSI 113.8 153.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 - 2 [ 0.0 .. 2.3]
195-> [GLY A 131] PHI 148.4 -71.6 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 44.3 0.0 0.0 - 1 [ 0.0 .. 44.3]
198-> [PHE A 132] PSI 100.3 164.3 0.0 0.0 4.3 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.2 0.0 0.0 0.0 7.5 0.0 0.0 - 4 [ 0.0 .. 7.5]
205-> [LEU A 137] PHI -87.7 -47.7 0.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 0.0 0.0 2.8 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 7.0]
214-> [GLY A 143] PSI 61.4 -158.6 0.0 0.0 0.0 0.0 0.0 6.4 0.0 10.1 0.0 0.0 0.0 0.0 0.0 4.3 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 10.1]
219-> [LEU A 150] PHI 178.1 -68.8 0.0 0.0 21.7 0.0 0.0 18.7 0.0 18.8 12.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 21.7]
240-> [LEU A 163] PSI -57.5 53.8 36.2 36.2 43.4 38.6 37.3 39.1 36.3 41.3 40.6 36.1 39.8 44.0 36.3 36.2 41.2 41.4 42.8 36.2 41.2 40.9 - 20 [ 36.1 .. 44.0]
265-> [LYS A 184] PHI -163.9 -23.9 0.0 0.0 0.0 0.0 0.0 2.1 0.0 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.1]
283-> [GLN A 193] PHI -140.7 -97.9 0.0 0.0 0.0 3.3 2.3 0.0 3.1 0.0 0.0 0.0 0.0 0.0 3.4 4.3 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 4.3]
284-> [GLN A 193] PSI 109.6 149.6 1.4 0.0 0.0 5.1 4.7 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 3.6 1.0 7.9 0.0 0.0 0.0 0.0 - 7 [ 0.0 .. 7.9]
285-> [LYS A 194] PHI -128.6 -60.0 12.2 0.3 20.5 7.6 5.2 7.6 4.8 13.5 10.0 13.3 10.0 20.7 6.2 5.9 9.1 6.1 10.0 11.7 10.0 7.8 - 20 [ 0.3 .. 20.7]
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 3 1 2 7 6 6 5 4 6 2 4 2 4 7 2 3 5 2 1 3 3.75
> 10. degrees : 5 3 6 4 4 6 3 7 5 5 4 5 5 5 3 5 4 6 4 4 4.65
Total : 8 6 10 11 10 12 9 13 12 7 8 7 9 13 5 8 9 8 6 7 8.90
Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Maximum Violation : 36.2 36.2 43.4 38.6 37.3 39.1 36.3 41.3 40.6 36.1 39.8 44.0 36.3 36.2 41.2 41.4 42.8 44.3 41.2 40.9 44.26
Max PHI Viol : 23.7 21.4 22.1 27.8 24.0 25.0 19.9 18.8 20.6 26.3 27.8 27.7 19.8 27.8 25.8 28.1 24.0 44.3 16.5 25.8 44.26
Max PSI Viol : 36.2 36.2 43.4 38.6 37.3 39.1 36.3 41.3 40.6 36.1 39.8 44.0 36.3 36.2 41.2 41.4 42.8 36.2 41.2 40.9 44.00
Average Violation : 0.4 0.3 0.6 0.5 0.5 0.5 0.3 0.6 0.5 0.5 0.4 0.5 0.4 0.5 0.4 0.5 0.4 0.6 0.3 0.4 0.452
Avge PHI Viol : 0.633 0.465 0.762 0.604 0.612 0.753 0.517 0.719 0.771 0.664 0.673 0.650 0.617 0.691 0.494 0.625 0.644 0.817 0.452 0.611 0.646
Avge PSI Viol : 0.692 0.623 0.749 0.763 0.730 0.682 0.629 0.806 0.637 0.682 0.649 0.736 0.634 0.712 0.704 0.773 0.648 0.717 0.691 0.654 0.697
RMS Violation : 3.272 2.793 3.988 3.416 3.325 3.319 2.740 3.716 3.234 3.389 3.228 3.715 2.873 3.246 3.396 3.525 3.184 4.168 3.128 3.186 3.360
RMS PHI Viol : 2.571 1.936 3.373 2.629 2.473 3.095 1.851 2.731 2.938 2.859 2.871 3.064 2.301 2.916 2.291 2.776 2.559 4.575 1.631 2.624 2.770
RMS PSI Viol : 3.839 3.435 4.514 4.044 3.991 3.526 3.395 4.480 3.502 3.841 3.544 4.261 3.342 3.541 4.211 4.133 3.698 3.722 4.100 3.656 3.855
Final --global-- Summary for 20 models, 288 ACOs/model, 5760 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 2604.18
Summ. Sq. Viol. : 65038.21
Max. Viol. : 44.263
Avg. Viol. : 0.45211
RMS Viol. : 3.36026
Std. Dev. Viol. : 3.32971
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 0.029 0.595 0.431 0.419
TRP A 2 0.795 0.577 0.411 0.262
ASP A 3 0.802 0.701 0.616 0.995
GLU A 4 0.881 0.738 0.483 0.804 0.971
ARG A 5 0.787 0.787 0.663 0.930 0.932 0.887 1.000
PHE A 6 0.800 0.648 0.299 0.982
SER A 7 0.702 0.557 0.606
GLN A 8 0.711 0.636 0.451 0.241 0.817
SER A 9 0.715 0.686 0.346
GLU A 10 0.891 0.592 0.601 0.924 0.984
TYR A 11 0.818 0.710 0.355 0.925
VAL A 12 0.938 0.738 0.582
TYR A 13 0.758 0.612 0.382 0.976
GLY A 14 0.432 0.491
THR A 15 0.838 0.543 0.376
GLU A 16 0.696 0.874 0.629 0.807 0.959
PRO A 17 0.987 0.664 0.897 0.816
ASN A 18 0.793 0.749 0.600 0.833
ASP A 19 0.651 0.535 0.502 0.939
PHE A 20 0.824 0.980 0.154 0.991 20
LEU A 21 0.996 0.998 0.997 0.999 21 21
VAL A 22 0.997 0.995 0.433 22 22
SER A 23 0.998 0.998 0.548 23 23
VAL A 24 0.999 0.999 0.995 24 24
ALA A 25 0.999 1.000 25 25
ASN A 26 0.999 1.000 1.000 1.000 26 26
GLN A 27 0.998 0.995 0.999 0.996 0.942 27 27
ILE A 28 0.998 1.000 0.999 0.999 28 28
PRO A 29 0.994 0.993 0.913 0.817 29 29
GLN A 30 0.999 0.994 0.809 0.779 0.834 30 30
GLY A 31 0.998 0.989 31 31
LYS A 32 0.997 0.998 0.611 0.999 0.663 0.389 32 32
ILE A 33 0.999 0.999 1.000 0.999 33 33
LEU A 34 0.999 1.000 1.000 1.000 34 34
CYS A 35 0.998 0.999 0.926 35 35
LEU A 36 0.995 0.969 0.999 0.999 36 36
ALA A 37 0.492 0.675
GLU A 38 0.752 0.335 0.151 0.379 0.695
GLY A 39 0.295 0.483
GLU A 40 0.622 0.277 0.716 0.814 0.901
GLY A 41 0.167 0.911
ARG A 42 0.999 0.996 0.723 0.994 0.390 0.542 1.000 42 42
ASN A 43 0.999 0.998 0.998 0.658 43 43
ALA A 44 0.999 0.998 44 44
CYS A 45 0.999 0.997 0.445 45 45
PHE A 46 0.999 0.999 0.580 0.691 46 46
LEU A 47 1.000 1.000 0.999 1.000 47 47
ALA A 48 1.000 1.000 48 48
SER A 49 1.000 0.998 0.398 49 49
LEU A 50 1.000 1.000 1.000 1.000 50 50
GLY A 51 0.998 0.997 51 51
TYR A 52 0.982 0.998 0.999 0.882 52 52
GLU A 53 0.996 0.996 0.559 0.993 0.920 53 53
VAL A 54 0.997 0.999 1.000 54 54
THR A 55 0.998 0.999 1.000 55 55
ALA A 56 0.998 0.997 56 56
VAL A 57 0.996 0.995 1.000 57 57
ASP A 58 0.990 0.991 0.997 0.946 58 58
GLN A 59 0.998 0.997 0.657 0.800 0.848 59 59
SER A 60 0.992 0.988 0.463 60 60
SER A 61 0.999 0.999 1.000 61 61
VAL A 62 0.999 1.000 0.999 62 62
GLY A 63 0.999 0.999 63 63
LEU A 64 1.000 0.999 1.000 1.000 64 64
ALA A 65 1.000 0.999 65 65
LYS A 66 1.000 0.999 0.823 0.864 0.930 0.995 66 66
ALA A 67 1.000 1.000 67 67
LYS A 68 1.000 0.999 0.763 1.000 1.000 1.000 68 68
GLN A 69 0.999 0.999 0.671 0.655 0.928 69 69
LEU A 70 0.999 0.999 0.998 0.999 70 70
ALA A 71 0.999 0.999 71 71
GLN A 72 0.999 1.000 0.637 0.611 0.912 72 72
GLU A 73 0.999 0.999 1.000 0.920 0.981 73 73
LYS A 74 1.000 0.998 0.937 0.922 0.998 0.999 74 74
GLY A 75 0.999 0.998 75 75
VAL A 76 0.997 0.999 1.000 76 76
LYS A 77 0.990 0.992 0.682 0.999 0.938 0.999 77 77
ILE A 78 0.997 0.999 0.998 0.999 78 78
THR A 79 0.996 0.999 1.000 79 79
THR A 80 0.994 0.997 1.000 80 80
VAL A 81 0.998 0.998 1.000 81 81
GLN A 82 0.990 0.982 0.993 0.568 0.922 82 82
SER A 83 0.812 0.836 0.996 83
ASN A 84 0.991 0.926 0.762 0.811 84 84
LEU A 85 0.998 0.998 0.998 0.997 85 85
ALA A 86 0.999 0.997 86 86
ASP A 87 0.992 0.993 0.921 0.975 87 87
PHE A 88 0.993 0.994 0.996 0.897 88 88
ASP A 89 0.991 0.985 0.329 0.750 89 89
ILE A 90 0.993 0.996 0.930 0.999 90 90
VAL A 91 0.997 0.990 1.000 91 91
ALA A 92 1.000 0.997 92 92
ASP A 93 0.998 0.999 0.999 0.989 93 93
ALA A 94 0.999 0.992 94 94
TRP A 95 0.963 0.967 0.890 0.808 95 95
GLU A 96 0.977 0.977 0.999 0.728 0.848 96 96
GLY A 97 0.963 0.989 97 97
ILE A 98 0.999 0.999 1.000 0.999 98 98
VAL A 99 0.998 0.994 1.000 99 99
SER A 100 0.988 0.997 0.932 100 100
ILE A 101 0.995 0.981 0.996 0.922 101 101
PHE A 102 0.965 0.990 0.843 0.870 102 102
CYS A 103 0.964 0.978 0.728 103 103
HIS A 104 0.962 0.988 0.585 0.390 104 104
LEU A 105 0.993 0.998 0.999 0.999 105 105
PRO A 106 0.999 1.000 0.999 1.000 106 106
SER A 107 0.999 0.999 0.512 107 107
SER A 108 1.000 1.000 0.641 108 108
LEU A 109 0.999 0.998 1.000 1.000 109 109
ARG A 110 0.999 0.997 0.711 0.995 0.293 0.689 0.999 110 110
GLN A 111 1.000 0.999 0.737 0.597 0.918 111 111
GLN A 112 0.998 0.995 0.643 0.490 0.558 112 112
LEU A 113 0.997 0.996 0.999 0.999 113 113
TYR A 114 0.997 1.000 0.997 0.770 114 114
PRO A 115 1.000 1.000 1.000 1.000 115 115
LYS A 116 0.999 0.999 0.998 0.566 0.991 0.991 116 116
VAL A 117 0.998 0.999 0.999 117 117
TYR A 118 1.000 0.999 0.999 0.999 118 118
GLN A 119 0.999 0.999 1.000 1.000 1.000 119 119
GLY A 120 0.990 0.971 120 120
LEU A 121 0.995 0.993 0.998 0.969 121 121
LYS A 122 0.976 0.987 0.791 0.695 0.999 0.874 122 122
PRO A 123 0.999 0.999 0.999 1.000 123 123
GLY A 124 0.996 0.997 124 124
GLY A 125 0.991 0.998 125 125
VAL A 126 0.999 0.999 1.000 126 126
PHE A 127 0.999 0.996 0.998 0.887 127 127
ILE A 128 0.998 0.999 1.000 0.975 128 128
LEU A 129 0.999 0.999 0.997 0.965 129 129
GLU A 130 0.998 0.998 0.873 0.996 0.751 130 130
GLY A 131 0.902 0.938 131 131
PHE A 132 0.995 0.961 0.998 0.995 132 132
ALA A 133 0.977 0.995 133 133
PRO A 134 0.994 0.964 0.913 0.824 134 134
GLU A 135 0.994 0.996 0.935 0.512 0.922 135 135
GLN A 136 0.996 0.995 0.997 0.771 0.875 136 136
LEU A 137 0.991 0.998 0.933 0.985 137 137
GLN A 138 0.988 0.986 0.783 0.702 0.743 138 138
TYR A 139 0.970 0.954 0.841 0.484 139 139
ASN A 140 0.185 0.588 0.634 0.951
THR A 141 0.992 0.982 1.000 141 141
GLY A 142 0.386 0.548
GLY A 143 0.807 0.676
PRO A 144 0.991 0.501 0.897 0.811
LYS A 145 0.594 0.823 0.540 0.803 1.000 1.000
ASP A 146 0.937 0.625 0.807 0.982
LEU A 147 0.895 0.977 0.991 0.836 147
ASP A 148 0.995 0.999 0.946 0.967 148 148
LEU A 149 0.999 0.995 0.989 0.677 149 149
LEU A 150 0.957 0.967 0.995 0.992 150 150
PRO A 151 0.986 0.958 0.907 0.828 151 151
LYS A 152 0.947 0.974 0.713 0.999 0.999 0.999 152 152
LEU A 153 0.999 1.000 1.000 1.000 153 153
GLU A 154 0.999 0.999 0.606 0.999 0.974 154 154
THR A 155 0.999 1.000 1.000 155 155
LEU A 156 1.000 1.000 1.000 1.000 156 156
GLN A 157 0.999 1.000 1.000 1.000 1.000 157 157
SER A 158 0.999 0.999 1.000 158 158
GLU A 159 0.997 0.996 0.827 0.684 0.918 159 159
LEU A 160 0.999 0.998 1.000 1.000 160 160
PRO A 161 0.997 0.997 0.980 0.967 161 161
SER A 162 1.000 1.000 1.000 162 162
LEU A 163 0.998 0.999 0.999 0.999 163 163
ASN A 164 0.997 0.994 1.000 0.956 164 164
TRP A 165 0.998 0.997 0.998 0.997 165 165
LEU A 166 0.997 0.999 1.000 0.999 166 166
ILE A 167 1.000 1.000 1.000 1.000 167 167
ALA A 168 0.999 0.999 168 168
ASN A 169 0.985 0.999 0.999 0.919 169 169
ASN A 170 0.998 1.000 1.000 1.000 170 170
LEU A 171 0.999 0.996 1.000 1.000 171 171
GLU A 172 0.995 0.999 1.000 0.999 0.999 172 172
ARG A 173 0.985 0.997 0.861 0.863 0.501 0.810 1.000 173 173
ASN A 174 0.998 0.992 0.669 0.970 174 174
LEU A 175 0.996 0.990 0.994 0.828 175 175
ASP A 176 0.872 0.528 0.339 0.977
GLU A 177 0.610 0.459 0.465 0.568 0.882
GLY A 178 0.360 0.474
ALA A 179 0.649 0.165
TYR A 180 0.487 0.773 0.433 0.783
HIS A 181 0.673 0.108 0.479 0.595
GLN A 182 0.534 0.495 0.390 0.458 0.869
GLY A 183 0.426 0.665
LYS A 184 0.937 0.985 0.524 0.998 0.869 0.996 184 184
ALA A 185 0.996 0.994 185 185
ALA A 186 0.996 0.994 186 186
LEU A 187 0.997 0.998 1.000 1.000 187 187
ILE A 188 0.998 1.000 1.000 0.896 188 188
GLN A 189 0.999 0.998 0.741 0.772 0.855 189 189
LEU A 190 0.999 0.999 1.000 1.000 190 190
LEU A 191 0.999 1.000 1.000 1.000 191 191
GLY A 192 0.993 0.997 192 192
GLN A 193 0.987 0.990 0.871 0.514 0.659 193 193
LYS A 194 0.996 0.990 0.754 0.870 0.923 0.954 194 194
LEU A 195 0.989 0.990 0.998 0.998 195 195
GLU A 196 0.379 0.554 0.463 0.817 0.958
HIS A 197 0.775 0.537 0.328 0.502
HIS A 198 0.591 0.573 0.439 0.401
HIS A 199 0.831 0.552 0.498 0.602
HIS A 200 0.763 0.381 0.225 0.454
HIS A 201 0.511 0.568 0.459 0.740
HIS A 202 0.774 0.859 0.578
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 `SGR145_R3Cons_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 1 is: 0.778
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 2 is: 0.772
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 3 is: 0.987
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 4 is: 0.768
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 5 is: 0.770
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 6 is: 0.768
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 7 is: 0.915
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 8 is: 0.832
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 9 is: 1.358
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 10 is: 1.049
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 11 is: 0.943
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 12 is: 0.657
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 13 is: 0.732
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 14 is: 1.152
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 15 is: 0.628 (*)
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 16 is: 0.997
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 17 is: 0.653
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 18 is: 1.620
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 19 is: 0.738
> Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 20 is: 0.924
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[21..36],[42..82],[84..139],[148..175],[184..195], is: 0.902
> Range of RMSD values to reference struct. is 0.628 to 1.620
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 1 is: 1.071
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 2 is: 1.149
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 3 is: 1.246
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 4 is: 1.153
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 5 is: 1.055
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 6 is: 1.053
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 7 is: 1.145
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 8 is: 1.233
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 9 is: 1.657
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 10 is: 1.407
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 11 is: 1.310
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 12 is: 0.933 (*)
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 13 is: 1.047
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 14 is: 1.714
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 15 is: 0.937
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 16 is: 1.298
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 17 is: 0.992
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 18 is: 2.087
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 19 is: 1.030
> Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[84..139],A[148..175],A[184..195],for model 20 is: 1.259
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[21..36],[42..82],[84..139],[148..175],[184..195], is: 1.239
> Range of RMSD values to reference struct. is 0.933 to 2.087
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..202],for model 1 is: 7.328
> Kabsch RMSD of backb atoms in res. *[1..202],for model 2 is: 2.932 (*)
> Kabsch RMSD of backb atoms in res. *[1..202],for model 3 is: 4.823
> Kabsch RMSD of backb atoms in res. *[1..202],for model 4 is: 4.453
> Kabsch RMSD of backb atoms in res. *[1..202],for model 5 is: 4.439
> Kabsch RMSD of backb atoms in res. *[1..202],for model 6 is: 3.212
> Kabsch RMSD of backb atoms in res. *[1..202],for model 7 is: 3.575
> Kabsch RMSD of backb atoms in res. *[1..202],for model 8 is: 4.582
> Kabsch RMSD of backb atoms in res. *[1..202],for model 9 is: 4.523
> Kabsch RMSD of backb atoms in res. *[1..202],for model 10 is: 10.497
> Kabsch RMSD of backb atoms in res. *[1..202],for model 11 is: 2.936
> Kabsch RMSD of backb atoms in res. *[1..202],for model 12 is: 3.895
> Kabsch RMSD of backb atoms in res. *[1..202],for model 13 is: 5.736
> Kabsch RMSD of backb atoms in res. *[1..202],for model 14 is: 3.254
> Kabsch RMSD of backb atoms in res. *[1..202],for model 15 is: 3.611
> Kabsch RMSD of backb atoms in res. *[1..202],for model 16 is: 6.074
> Kabsch RMSD of backb atoms in res. *[1..202],for model 17 is: 4.812
> Kabsch RMSD of backb atoms in res. *[1..202],for model 18 is: 8.111
> Kabsch RMSD of backb atoms in res. *[1..202],for model 19 is: 5.205
> Kabsch RMSD of backb atoms in res. *[1..202],for model 20 is: 6.533
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..202], is: 5.027
> Range of RMSD values to reference struct. is 2.932 to 10.497
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 1 is: 8.032
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 2 is: 3.617
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 3 is: 5.423
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 4 is: 5.234
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 5 is: 5.164
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 6 is: 3.834
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 7 is: 4.265
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 8 is: 5.100
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 9 is: 4.929
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 10 is: 11.558
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 11 is: 3.417 (*)
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 12 is: 4.665
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 13 is: 6.482
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 14 is: 3.920
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 15 is: 4.262
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 16 is: 6.883
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 17 is: 5.572
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 18 is: 9.081
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 19 is: 5.789
> Kabsch RMSD of heavy atoms in res. *[1..202],for model 20 is: 7.213
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..202], is: 5.722
> Range of RMSD values to reference struct. is 3.417 to 11.558
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 0.9 0.9
All heavy atoms 5.7 1.3 1.2
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 >>>----------+
| |
| SGR145_R3Cons_em_bcr3_020.rin 0.0 3080 residues |
| |
+| Ramachandran plot: 94.1% core 5.4% allow 0.6% gener 0.0% disall |
| |
+| All Ramachandrans: 26 labelled residues (out of3080) |
+| Chi1-chi2 plots: 7 labelled residues (out of1920) |
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
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
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
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
21 0.81
22 0.46
23 0.81
24 -0.32
25 0.85
26 1.03
27 -0.11
28 -0.45
29 0.07
30 -1.08
31 -1.09
32 -0.53
33 0.21
34 -0.04
35 0.10
36 -0.38
42 0.82
43 1.23
44 0.85
45 1.24
46 1.22
47 1.07
48 0.96
49 0.59
50 -0.46
51 0.77
52 -0.48
53 -1.22
54 0.46
55 0.42
56 -0.84
57 0.04
58 -1.23
59 0.64
60 -0.36
61 0.96
62 0.37
63 1.02
64 1.09
65 0.97
66 1.21
67 0.85
68 1.19
69 1.05
70 0.88
71 0.79
72 1.19
73 0.84
74 -0.26
75 0.46
76 -0.43
77 -0.33
78 0.26
79 0.29
80 0.19
81 0.21
82 -0.61
84 -1.49
85 0.09
86 0.72
87 -0.90
88 -1.42
89 -2.55
90 -0.50
91 -2.60
92 0.00
93 0.77
94 -1.11
95 -0.56
96 -0.75
97 -0.66
98 0.12
99 -0.16
100 -1.09
101 -0.29
102 -3.35
103 -0.06
104 -0.68
105 -0.42
106 0.31
107 -0.31
108 0.54
109 0.73
110 0.78
111 0.64
112 0.29
113 0.46
114 1.11
115 0.23
116 0.27
117 0.24
118 1.16
119 -0.47
120 -1.18
121 -0.70
122 -0.52
123 -0.88
124 -0.75
125 -1.26
126 -0.05
127 -0.62
128 0.24
129 -0.38
130 -0.94
131 -0.97
132 -0.17
133 -0.80
134 -0.26
135 0.37
136 0.75
137 -0.10
138 -0.05
139 -0.48
147 -0.90
148 0.84
149 -0.69
150 -0.84
151 -0.08
152 -0.44
153 0.88
154 0.92
155 0.91
156 0.97
157 0.94
158 0.72
159 -0.11
160 -2.01
161 -0.38
162 0.42
163 -1.81
164 -0.55
165 -0.28
166 -0.47
167 0.26
168 -1.92
169 -0.43
170 0.03
171 -1.05
172 -0.40
173 -0.23
174 -0.13
175 -0.36
184 -0.56
185 -0.78
186 -0.92
187 -0.70
188 -0.19
189 -0.39
190 -0.50
191 -1.01
192 -1.05
193 -0.40
194 -1.01
195 -0.37
#Reported_Model_Average -0.101
#Overall_Average_Reported -0.101
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
21 0.63
22 0.02
23 0.61
24 -0.70
25 0.85
26 1.08
27 0.09
28 0.21
29 0.07
30 -0.16
31 -1.09
32 0.29
33 0.53
34 0.18
35 0.23
36 0.25
42 0.89
43 1.06
44 0.85
45 0.86
46 0.49
47 0.99
48 0.96
49 0.45
50 0.21
51 0.77
52 -0.85
53 -0.17
54 0.54
55 0.55
56 -0.84
57 0.26
58 -1.24
59 0.78
60 -0.12
61 0.55
62 -0.17
63 1.02
64 0.98
65 0.97
66 1.09
67 0.85
68 1.05
69 0.72
70 0.53
71 0.79
72 0.96
73 1.00
74 -0.01
75 0.46
76 -0.41
77 0.41
78 0.02
79 0.55
80 0.33
81 0.46
82 -0.13
84 -0.66
85 0.46
86 0.72
87 -0.24
88 -0.46
89 -1.98
90 -0.39
91 -1.13
92 0.00
93 0.94
94 -1.11
95 -0.19
96 0.15
97 -0.66
98 0.49
99 -0.61
100 -0.46
101 -0.21
102 -1.49
103 0.31
104 -0.41
105 0.23
106 0.31
107 0.06
108 0.63
109 0.70
110 0.79
111 0.75
112 0.32
113 0.42
114 0.13
115 0.23
116 0.44
117 0.34
118 0.91
119 0.36
120 -1.18
121 -0.18
122 0.17
123 -0.88
124 -0.75
125 -1.26
126 -0.27
127 -1.37
128 0.48
129 0.13
130 -0.07
131 -0.97
132 0.17
133 -0.80
134 -0.26
135 0.64
136 0.45
137 0.07
138 0.45
139 -0.39
147 -0.48
148 0.95
149 -0.11
150 -0.19
151 -0.08
152 0.36
153 0.88
154 0.99
155 0.63
156 0.87
157 0.81
158 0.70
159 0.13
160 -0.61
161 -0.38
162 0.76
163 -1.28
164 -0.22
165 0.23
166 0.19
167 0.57
168 -1.92
169 0.34
170 0.00
171 -0.26
172 0.43
173 0.24
174 0.15
175 0.13
184 0.24
185 -0.78
186 -0.92
187 -0.08
188 -0.23
189 0.06
190 0.00
191 -0.37
192 -1.05
193 -0.22
194 -0.53
195 0.15
#Reported_Model_Average 0.101
#Overall_Average_Reported 0.101
Output from Verify3D
Verify3D Score over a window of $winsize_s residues
JPEG image for Verify3D Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
21 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30
22 0.30 0.30 -0.62 0.41 -0.62 -0.62 -0.62 0.30 -0.62 -1.25 0.30 -0.62 0.30 -0.62 -0.29 -0.62 -0.62 0.74 -0.62 -0.62
23 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
24 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
25 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
26 0.32 -0.02 0.32 -0.02 0.32 0.32 0.32 0.32 -0.02 0.32 0.32 0.32 0.32 0.32 0.32 -0.02 0.32 -0.02 -0.02 0.32
27 0.62 0.62 0.62 -0.32 -0.32 -0.32 0.62 0.62 0.16 0.62 0.62 0.62 0.62 0.62 0.62 -0.32 0.62 -0.32 -0.32 0.62
28 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 -0.11 -0.07 0.44
30 -0.03 -0.03 -0.03 -0.03 0.25 -0.03 -0.03 0.25 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 0.25 0.25 0.25 0.25 0.25 -0.03
31 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
32 0.08 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.47 0.08 0.08 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.08 0.47
33 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.07 1.50
34 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
35 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
36 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.36 0.36 1.07 1.07 0.36
42 0.56 0.56 0.56 -0.20 0.56 1.10 0.56 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 1.10
43 -0.58 -0.58 -0.58 -0.58 -0.58 -1.76 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -1.76 -0.58 -0.58 -0.58 -0.58 -0.58 -0.48
44 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
45 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
46 0.87 0.87 0.87 0.87 -0.22 1.28 0.87 0.87 1.28 -1.35 0.87 -0.22 0.87 1.28 0.87 -0.22 -0.22 -0.22 -0.22 0.87
47 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
48 0.76 -0.02 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 -0.02 0.76
49 0.47 0.47 -0.38 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
50 0.29 1.06 -0.33 0.77 1.06 1.06 -0.33 1.06 1.06 -0.33 0.77 0.77 0.77 0.77 1.06 1.06 0.77 0.77 0.77 0.77
51 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
52 1.25 1.25 1.14 1.14 1.14 1.25 1.25 1.14 1.25 1.25 1.14 1.25 1.14 1.25 1.14 1.25 1.14 1.25 1.25 1.25
53 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
54 1.18 0.71 1.18 0.71 1.18 1.18 1.18 1.18 0.71 1.18 1.18 0.71 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18
55 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
56 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
57 1.18 1.18 0.71 0.71 1.18 1.18 0.71 1.18 0.71 0.71 1.18 1.18 1.18 1.18 0.71 1.18 0.71 1.18 1.18 0.71
58 -0.61 -0.76 -0.76 -0.61 -0.76 -0.61 -0.76 -0.61 -0.61 -0.61 -0.61 -0.61 -0.76 -0.61 -0.03 -0.61 -0.76 -0.76 -0.76 -0.61
59 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
60 0.17 0.17 0.34 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.34 0.17 0.34 0.34 0.17 0.17 0.34 0.17 0.17 0.34
61 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 -0.38 0.16 0.16 0.16 0.16 0.16 0.16
62 -0.62 -1.25 -1.25 -1.25 -0.62 -1.25 -0.62 -1.25 -1.25 -0.62 -1.25 -1.25 -1.25 -1.25 -0.62 -1.25 -1.25 -0.62 -1.25 -0.62
63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
64 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 0.71 0.16 0.16 0.16 0.16 0.16 0.16
65 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.07
67 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
68 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
69 0.29 0.29 0.29 0.62 0.62 0.62 0.62 0.62 0.29 0.62 0.62 0.62 0.62 0.62 0.29 0.62 0.29 0.29 0.62 0.29
70 0.16 0.16 0.71 -0.30 0.71 -0.30 0.16 0.71 -0.46 0.71 0.16 0.71 0.71 -0.30 -0.46 0.71 0.71 0.71 -0.30 0.16
71 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
72 0.29 0.29 0.62 0.29 0.62 0.62 0.62 0.29 0.29 0.62 0.62 0.29 0.62 0.62 0.29 0.29 0.29 0.29 0.29 0.62
73 0.62 0.60 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.60
74 0.66 0.66 0.66 0.56 -0.94 0.56 0.56 0.56 0.56 0.66 -0.50 0.66 0.56 0.66 0.66 0.56 0.56 0.66 0.66 0.56
75 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
76 -0.74 0.66 -0.09 0.66 0.66 -0.74 -0.74 -0.74 -0.40 -0.74 -0.74 -0.40 -0.74 -0.09 -0.74 -0.09 0.66 -0.74 -0.74 -0.74
77 -0.10 -0.10 -0.10 0.08 0.47 -0.10 -0.10 -0.10 0.47 0.47 0.47 0.47 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10
78 0.93 0.93 0.81 0.81 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.81 0.81 0.81 0.93 0.93 0.93 0.81 0.93
79 0.79 -0.17 -0.17 0.79 -0.17 0.79 0.79 -0.17 0.79 0.79 0.79 0.79 -0.17 0.79 -0.17 -0.17 0.79 0.79 0.79 -0.17
80 0.79 0.95 0.95 0.95 0.95 0.95 0.79 0.95 0.79 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
81 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
82 0.10 0.10 0.10 -0.12 0.10 0.10 0.10 -0.12 -0.12 -0.12 0.10 -0.12 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
84 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.41 0.51 0.41 0.51
85 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 0.77 1.06 0.77 0.77
86 0.49 0.49 0.14 0.14 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.49 0.49 -0.25 0.14 -0.25 0.14 0.14 0.14 0.14
87 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
88 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 0.71 -0.84 1.04 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 0.71 -0.84 -0.84
89 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 -2.63 0.34 0.34 0.34 0.34 0.34 0.34 -2.63 -2.63
90 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
91 -0.74 -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 -0.09 -0.74 -0.74 -0.74 -0.09 -0.74
92 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.14 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
93 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.51 0.23 0.51 0.23 0.51 0.23 0.23 0.51 0.23 0.23 0.23 0.51 0.51
94 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
95 1.62 1.62 1.62 1.62 1.62 1.62 1.12 1.62 1.62 1.62 0.96 1.12 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62
96 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 0.28
97 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
98 1.50 1.07 1.07 1.07 1.50 1.50 1.07 1.07 1.07 1.50 1.50 1.07 1.07 1.07 1.07 1.07 1.50 1.07 1.50 1.50
99 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
100 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
101 1.07 1.07 0.26 1.07 1.07 1.50 0.26 1.07 1.50 1.07 1.50 1.07 0.26 1.50 -0.35 1.07 1.50 1.07 1.07 1.50
102 1.04 1.04 1.04 1.04 0.71 1.04 1.04 1.04 0.71 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 0.71 1.04 0.71
103 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 -0.81 1.29 -0.81 1.29 1.29 1.29 -0.35 -0.35 1.29 -0.81 1.29 1.29
104 0.54 1.04 0.20 0.20 0.20 0.20 1.04 0.20 1.04 1.04 1.04 0.20 0.54 -0.61 -0.61 0.20 0.54 -0.61 0.20 1.04
105 0.77 1.06 1.06 1.06 1.06 1.06 0.77 0.77 0.77 1.06 1.06 0.77 1.06 1.06 0.77 0.77 1.06 1.06 1.06 1.06
106 0.44 0.44 0.25 0.44 0.44 0.64 0.64 0.44 0.44 0.44 0.44 0.44 0.64 0.64 0.25 0.44 0.44 0.64 0.25 0.44
107 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 -0.38 0.16 0.16 -0.38 0.16 -0.38 0.16 0.16
108 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
109 -0.30 0.71 -0.30 -0.30 -0.30 0.71 -0.30 0.71 0.16 1.30 -0.30 0.71 -0.30 0.71 0.71 1.30 -0.30 -0.30 -0.30 -0.30
110 1.10 1.10 -0.11 1.10 1.10 1.10 -0.11 1.10 1.10 1.10 1.10 1.10 1.10 1.10 -0.11 1.10 -0.11 1.10 1.10 1.10
111 0.29 0.29 0.29 0.29 0.62 0.62 0.29 0.62 0.29 0.29 0.29 0.62 0.29 0.62 0.29 0.62 0.62 0.29 0.29 0.29
112 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
113 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 0.71 1.30
114 0.86 0.86 0.86 0.27 0.86 0.27 0.27 0.86 0.27 0.86 0.27 0.86 0.27 0.27 0.86 0.86 0.27 0.27 0.86 0.86
115 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25
116 0.66 0.56 0.66 0.66 0.56 0.66 0.56 0.56 0.66 0.56 0.66 0.56 0.66 0.66 0.66 0.66 0.56 0.66 0.56 0.56
117 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
118 0.50 -0.55 0.50 -0.55 -0.55 -0.55 0.50 -0.55 -0.55 -0.55 -0.55 -0.55 0.50 -0.55 -0.55 0.50 -0.55 -0.55 -0.55 -0.55
119 0.29 0.62 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.29 0.62 0.29 0.62 0.29 0.62
120 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
121 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06
122 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.47
123 0.44 0.64 0.64 0.44 0.44 0.64 0.64 0.64 0.64 0.44 0.64 0.64 0.25 0.44 0.44 -0.07 0.64 0.44 0.64 0.44
124 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
125 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
126 1.18 1.18 0.71 0.71 1.18 1.18 0.71 1.18 1.18 1.18 1.18 0.71 0.71 0.71 0.71 1.18 1.18 1.18 1.18 0.71
127 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
128 1.07 1.07 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.07 1.50 1.50 1.50 1.50 1.07 1.50 1.50
129 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.36 1.07 1.07
130 0.41 0.41 -0.68 0.41 0.41 -0.68 -0.68 0.41 -0.42 -0.68 0.41 -0.42 -0.42 -0.68 0.41 0.41 0.41 0.41 0.41 -0.20
131 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
132 0.37 1.32 0.37 1.32 0.37 0.37 0.37 0.37 -0.56 1.32 1.32 1.32 0.37 1.32 0.37 0.37 1.32 0.96 0.37 0.37
133 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49
134 0.44 0.25 0.44 0.44 0.25 0.44 0.25 0.44 0.44 0.64 0.25 0.25 0.44 0.44 0.25 0.44 0.44 0.44 0.25 0.25
135 0.62 0.62 -0.43 0.62 0.62 0.62 0.09 0.62 0.09 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 -0.43 0.62 0.62
136 -1.38 -1.38 0.62 -1.38 -1.38 -0.32 0.16 -0.32 0.62 -1.38 0.16 -1.38 0.16 0.62 0.16 -1.38 0.16 -0.32 -1.38 -1.38
137 0.71 0.16 0.16 0.71 0.71 0.16 0.71 0.16 0.16 0.16 0.16 0.16 0.71 1.30 0.71 0.16 0.71 0.71 0.71 0.16
138 0.62 0.62 0.62 0.62 0.62 0.29 0.29 0.62 0.29 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
139 0.50 0.50 0.50 0.50 0.50 0.50 0.50 -0.55 0.50 0.50 0.50 0.86 0.50 -0.55 0.50 0.50 0.50 0.50 0.50 0.50
147 -0.33 -0.68 1.06 -0.68 -0.68 0.29 -0.68 0.77 0.77 -0.68 -0.33 -0.33 0.29 0.29 -0.68 -0.68 0.29 -0.68 -0.33 -0.68
148 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.51 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
149 0.29 0.29 0.29 -0.33 -0.68 0.29 0.77 0.29 -0.68 -0.33 0.29 0.29 0.29 0.29 0.29 -0.33 0.29 0.29 0.29 -0.68
150 0.77 0.77 0.77 1.06 0.77 0.77 0.77 0.77 0.77 1.06 0.77 0.77 1.06 0.77 0.77 1.06 0.77 0.77 0.77 0.77
151 -0.07 -0.07 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.59 -0.11 0.59 0.64 -0.07 0.64 -0.07 0.64 0.59 0.44
152 0.47 0.47 -0.10 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10 -0.10 0.47 0.47 -0.10 0.47 0.47
153 0.71 0.71 0.71 0.71 0.16 0.71 0.16 0.71 0.71 0.16 -0.30 0.71 -0.30 0.71 0.71 0.71 0.71 0.71 -0.30 0.16
154 0.60 0.62 0.60 0.60 0.62 0.60 0.60 0.60 0.62 0.60 0.62 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.62
155 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.20 -0.13 -0.13 -0.13 -0.13 -0.13 0.39 -0.13 0.39 -0.13
156 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
157 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
158 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
159 -0.43 -0.43 0.62 0.62 -0.43 0.62 0.62 -0.43 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 -0.43 0.62 -0.43 0.62
160 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
161 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
162 0.34 0.17 0.34 0.17 0.59 0.59 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.34 0.59 0.17 0.17 0.34 0.34
163 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 1.06 0.77 0.77 1.06 0.77 0.77 0.77
164 0.41 0.41 0.51 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.51 0.41 0.41 0.51 0.41 0.41 0.41
165 0.83 0.83 0.83 0.83 0.92 0.92 0.83 0.83 0.83 0.83 0.83 0.83 0.92 0.83 0.92 0.83 0.83 0.83 0.83 0.83
166 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -0.81 -1.33 -1.33 -0.81 -1.33 -1.33 -1.33 -0.81 -0.81 -1.33 -1.33 -0.81 -1.33
167 -0.35 -0.35 0.09 0.09 0.26 -0.35 1.07 0.26 0.26 -0.35 0.26 -0.35 0.26 -0.35 0.26 -0.35 -0.35 -0.35 0.26 -0.35
168 0.14 0.59 0.59 0.59 0.59 0.59 0.14 -0.52 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.14 0.59 0.59
169 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
170 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.00 0.01 0.01 0.00
171 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33
172 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 -0.37 0.41 0.41
173 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.19 0.84 0.19 0.19 0.19 0.84 0.19 0.19
174 0.00 0.01 0.01 0.00 0.01 0.01 0.01 0.00 0.01 0.00 0.01 0.00 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01
175 0.14 0.36 0.36 0.14 0.36 -0.81 0.14 0.14 -1.33 1.07 0.36 0.36 -1.33 0.14 0.36 0.14 0.14 0.14 -0.81 0.14
184 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 -1.54 0.55 0.55 0.55 0.55 0.55 0.55
185 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
186 -0.52 0.59 0.14 0.59 -0.52 0.14 0.14 0.14 0.59 0.59 -0.52 0.14 -0.52 0.14 0.14 0.59 0.59 0.14 0.59 0.59
187 0.14 0.36 0.36 0.14 0.14 0.36 0.14 0.36 0.36 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.36 -0.81 0.14 0.14
188 1.07 1.07 1.07 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 1.07 0.26 0.26 1.07 1.07 1.07 1.07 0.26
189 -2.38 -0.79 -2.03 -0.79 -0.79 -2.03 -2.03 -0.79 -0.79 -0.79 -2.03 -2.03 0.52 -0.79 -2.38 0.10 -2.38 -2.38 -2.03 -2.03
190 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
191 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
192 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
193 -0.79 -0.79 -0.79 -0.79 -0.79 0.10 -0.79 -0.79 0.52 0.52 0.10 -0.79 -0.79 -0.79 -0.79 -0.79 -2.38 0.52 -2.38 -2.03
194 0.08 0.08 0.47 0.47 0.08 0.47 0.08 0.08 0.08 0.47 0.08 0.47 0.08 0.08 0.47 0.08 0.47 0.08 0.08 0.08
195 -0.68 -0.68 -0.68 0.29 -0.68 0.29 -0.68 -0.68 -0.68 0.29 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68
#Reported_Model_Average 0.485 0.518 0.478 0.496 0.477 0.507 0.465 0.512 0.480 0.509 0.504 0.466 0.495 0.483 0.457 0.488 0.496 0.459 0.424 0.442
#Overall_Average_Reported 0.482
Output from ProsaII
ProsaII Score over a window of $winsize_s residues
JPEG image for ProsaII Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
21 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30
22 0.30 0.30 -0.62 0.41 -0.62 -0.62 -0.62 0.30 -0.62 -1.25 0.30 -0.62 0.30 -0.62 -0.29 -0.62 -0.62 0.74 -0.62 -0.62
23 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
24 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
25 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
26 0.32 -0.02 0.32 -0.02 0.32 0.32 0.32 0.32 -0.02 0.32 0.32 0.32 0.32 0.32 0.32 -0.02 0.32 -0.02 -0.02 0.32
27 0.62 0.62 0.62 -0.32 -0.32 -0.32 0.62 0.62 0.16 0.62 0.62 0.62 0.62 0.62 0.62 -0.32 0.62 -0.32 -0.32 0.62
28 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 -0.11 -0.07 0.44
30 -0.03 -0.03 -0.03 -0.03 0.25 -0.03 -0.03 0.25 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 0.25 0.25 0.25 0.25 0.25 -0.03
31 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
32 0.08 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.47 0.08 0.08 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.08 0.47
33 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.07 1.50
34 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
35 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
36 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.36 0.36 1.07 1.07 0.36
42 0.56 0.56 0.56 -0.20 0.56 1.10 0.56 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 1.10
43 -0.58 -0.58 -0.58 -0.58 -0.58 -1.76 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -1.76 -0.58 -0.58 -0.58 -0.58 -0.58 -0.48
44 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
45 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
46 0.87 0.87 0.87 0.87 -0.22 1.28 0.87 0.87 1.28 -1.35 0.87 -0.22 0.87 1.28 0.87 -0.22 -0.22 -0.22 -0.22 0.87
47 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
48 0.76 -0.02 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 -0.02 0.76
49 0.47 0.47 -0.38 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
50 0.29 1.06 -0.33 0.77 1.06 1.06 -0.33 1.06 1.06 -0.33 0.77 0.77 0.77 0.77 1.06 1.06 0.77 0.77 0.77 0.77
51 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
52 1.25 1.25 1.14 1.14 1.14 1.25 1.25 1.14 1.25 1.25 1.14 1.25 1.14 1.25 1.14 1.25 1.14 1.25 1.25 1.25
53 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
54 1.18 0.71 1.18 0.71 1.18 1.18 1.18 1.18 0.71 1.18 1.18 0.71 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18
55 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
56 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
57 1.18 1.18 0.71 0.71 1.18 1.18 0.71 1.18 0.71 0.71 1.18 1.18 1.18 1.18 0.71 1.18 0.71 1.18 1.18 0.71
58 -0.61 -0.76 -0.76 -0.61 -0.76 -0.61 -0.76 -0.61 -0.61 -0.61 -0.61 -0.61 -0.76 -0.61 -0.03 -0.61 -0.76 -0.76 -0.76 -0.61
59 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
60 0.17 0.17 0.34 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.34 0.17 0.34 0.34 0.17 0.17 0.34 0.17 0.17 0.34
61 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 -0.38 0.16 0.16 0.16 0.16 0.16 0.16
62 -0.62 -1.25 -1.25 -1.25 -0.62 -1.25 -0.62 -1.25 -1.25 -0.62 -1.25 -1.25 -1.25 -1.25 -0.62 -1.25 -1.25 -0.62 -1.25 -0.62
63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
64 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 0.71 0.16 0.16 0.16 0.16 0.16 0.16
65 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.07
67 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
68 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
69 0.29 0.29 0.29 0.62 0.62 0.62 0.62 0.62 0.29 0.62 0.62 0.62 0.62 0.62 0.29 0.62 0.29 0.29 0.62 0.29
70 0.16 0.16 0.71 -0.30 0.71 -0.30 0.16 0.71 -0.46 0.71 0.16 0.71 0.71 -0.30 -0.46 0.71 0.71 0.71 -0.30 0.16
71 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
72 0.29 0.29 0.62 0.29 0.62 0.62 0.62 0.29 0.29 0.62 0.62 0.29 0.62 0.62 0.29 0.29 0.29 0.29 0.29 0.62
73 0.62 0.60 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.60
74 0.66 0.66 0.66 0.56 -0.94 0.56 0.56 0.56 0.56 0.66 -0.50 0.66 0.56 0.66 0.66 0.56 0.56 0.66 0.66 0.56
75 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
76 -0.74 0.66 -0.09 0.66 0.66 -0.74 -0.74 -0.74 -0.40 -0.74 -0.74 -0.40 -0.74 -0.09 -0.74 -0.09 0.66 -0.74 -0.74 -0.74
77 -0.10 -0.10 -0.10 0.08 0.47 -0.10 -0.10 -0.10 0.47 0.47 0.47 0.47 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10
78 0.93 0.93 0.81 0.81 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.81 0.81 0.81 0.93 0.93 0.93 0.81 0.93
79 0.79 -0.17 -0.17 0.79 -0.17 0.79 0.79 -0.17 0.79 0.79 0.79 0.79 -0.17 0.79 -0.17 -0.17 0.79 0.79 0.79 -0.17
80 0.79 0.95 0.95 0.95 0.95 0.95 0.79 0.95 0.79 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
81 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
82 0.10 0.10 0.10 -0.12 0.10 0.10 0.10 -0.12 -0.12 -0.12 0.10 -0.12 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
84 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.41 0.51 0.41 0.51
85 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 0.77 1.06 0.77 0.77
86 0.49 0.49 0.14 0.14 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.49 0.49 -0.25 0.14 -0.25 0.14 0.14 0.14 0.14
87 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
88 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 0.71 -0.84 1.04 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 0.71 -0.84 -0.84
89 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 -2.63 0.34 0.34 0.34 0.34 0.34 0.34 -2.63 -2.63
90 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
91 -0.74 -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 -0.09 -0.74 -0.74 -0.74 -0.09 -0.74
92 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.14 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
93 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.51 0.23 0.51 0.23 0.51 0.23 0.23 0.51 0.23 0.23 0.23 0.51 0.51
94 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
95 1.62 1.62 1.62 1.62 1.62 1.62 1.12 1.62 1.62 1.62 0.96 1.12 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62
96 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 0.28
97 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
98 1.50 1.07 1.07 1.07 1.50 1.50 1.07 1.07 1.07 1.50 1.50 1.07 1.07 1.07 1.07 1.07 1.50 1.07 1.50 1.50
99 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
100 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
101 1.07 1.07 0.26 1.07 1.07 1.50 0.26 1.07 1.50 1.07 1.50 1.07 0.26 1.50 -0.35 1.07 1.50 1.07 1.07 1.50
102 1.04 1.04 1.04 1.04 0.71 1.04 1.04 1.04 0.71 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 0.71 1.04 0.71
103 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 -0.81 1.29 -0.81 1.29 1.29 1.29 -0.35 -0.35 1.29 -0.81 1.29 1.29
104 0.54 1.04 0.20 0.20 0.20 0.20 1.04 0.20 1.04 1.04 1.04 0.20 0.54 -0.61 -0.61 0.20 0.54 -0.61 0.20 1.04
105 0.77 1.06 1.06 1.06 1.06 1.06 0.77 0.77 0.77 1.06 1.06 0.77 1.06 1.06 0.77 0.77 1.06 1.06 1.06 1.06
106 0.44 0.44 0.25 0.44 0.44 0.64 0.64 0.44 0.44 0.44 0.44 0.44 0.64 0.64 0.25 0.44 0.44 0.64 0.25 0.44
107 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 -0.38 0.16 0.16 -0.38 0.16 -0.38 0.16 0.16
108 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
109 -0.30 0.71 -0.30 -0.30 -0.30 0.71 -0.30 0.71 0.16 1.30 -0.30 0.71 -0.30 0.71 0.71 1.30 -0.30 -0.30 -0.30 -0.30
110 1.10 1.10 -0.11 1.10 1.10 1.10 -0.11 1.10 1.10 1.10 1.10 1.10 1.10 1.10 -0.11 1.10 -0.11 1.10 1.10 1.10
111 0.29 0.29 0.29 0.29 0.62 0.62 0.29 0.62 0.29 0.29 0.29 0.62 0.29 0.62 0.29 0.62 0.62 0.29 0.29 0.29
112 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
113 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 0.71 1.30
114 0.86 0.86 0.86 0.27 0.86 0.27 0.27 0.86 0.27 0.86 0.27 0.86 0.27 0.27 0.86 0.86 0.27 0.27 0.86 0.86
115 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25 -0.25
116 0.66 0.56 0.66 0.66 0.56 0.66 0.56 0.56 0.66 0.56 0.66 0.56 0.66 0.66 0.66 0.66 0.56 0.66 0.56 0.56
117 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
118 0.50 -0.55 0.50 -0.55 -0.55 -0.55 0.50 -0.55 -0.55 -0.55 -0.55 -0.55 0.50 -0.55 -0.55 0.50 -0.55 -0.55 -0.55 -0.55
119 0.29 0.62 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.29 0.62 0.29 0.62 0.29 0.62
120 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
121 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06
122 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.47
123 0.44 0.64 0.64 0.44 0.44 0.64 0.64 0.64 0.64 0.44 0.64 0.64 0.25 0.44 0.44 -0.07 0.64 0.44 0.64 0.44
124 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
125 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
126 1.18 1.18 0.71 0.71 1.18 1.18 0.71 1.18 1.18 1.18 1.18 0.71 0.71 0.71 0.71 1.18 1.18 1.18 1.18 0.71
127 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
128 1.07 1.07 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.07 1.50 1.50 1.50 1.50 1.07 1.50 1.50
129 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.36 1.07 1.07
130 0.41 0.41 -0.68 0.41 0.41 -0.68 -0.68 0.41 -0.42 -0.68 0.41 -0.42 -0.42 -0.68 0.41 0.41 0.41 0.41 0.41 -0.20
131 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
132 0.37 1.32 0.37 1.32 0.37 0.37 0.37 0.37 -0.56 1.32 1.32 1.32 0.37 1.32 0.37 0.37 1.32 0.96 0.37 0.37
133 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49
134 0.44 0.25 0.44 0.44 0.25 0.44 0.25 0.44 0.44 0.64 0.25 0.25 0.44 0.44 0.25 0.44 0.44 0.44 0.25 0.25
135 0.62 0.62 -0.43 0.62 0.62 0.62 0.09 0.62 0.09 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 -0.43 0.62 0.62
136 -1.38 -1.38 0.62 -1.38 -1.38 -0.32 0.16 -0.32 0.62 -1.38 0.16 -1.38 0.16 0.62 0.16 -1.38 0.16 -0.32 -1.38 -1.38
137 0.71 0.16 0.16 0.71 0.71 0.16 0.71 0.16 0.16 0.16 0.16 0.16 0.71 1.30 0.71 0.16 0.71 0.71 0.71 0.16
138 0.62 0.62 0.62 0.62 0.62 0.29 0.29 0.62 0.29 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
139 0.50 0.50 0.50 0.50 0.50 0.50 0.50 -0.55 0.50 0.50 0.50 0.86 0.50 -0.55 0.50 0.50 0.50 0.50 0.50 0.50
147 -0.33 -0.68 1.06 -0.68 -0.68 0.29 -0.68 0.77 0.77 -0.68 -0.33 -0.33 0.29 0.29 -0.68 -0.68 0.29 -0.68 -0.33 -0.68
148 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.51 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
149 0.29 0.29 0.29 -0.33 -0.68 0.29 0.77 0.29 -0.68 -0.33 0.29 0.29 0.29 0.29 0.29 -0.33 0.29 0.29 0.29 -0.68
150 0.77 0.77 0.77 1.06 0.77 0.77 0.77 0.77 0.77 1.06 0.77 0.77 1.06 0.77 0.77 1.06 0.77 0.77 0.77 0.77
151 -0.07 -0.07 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.59 -0.11 0.59 0.64 -0.07 0.64 -0.07 0.64 0.59 0.44
152 0.47 0.47 -0.10 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10 -0.10 0.47 0.47 -0.10 0.47 0.47
153 0.71 0.71 0.71 0.71 0.16 0.71 0.16 0.71 0.71 0.16 -0.30 0.71 -0.30 0.71 0.71 0.71 0.71 0.71 -0.30 0.16
154 0.60 0.62 0.60 0.60 0.62 0.60 0.60 0.60 0.62 0.60 0.62 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.62
155 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.20 -0.13 -0.13 -0.13 -0.13 -0.13 0.39 -0.13 0.39 -0.13
156 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
157 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
158 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
159 -0.43 -0.43 0.62 0.62 -0.43 0.62 0.62 -0.43 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 -0.43 0.62 -0.43 0.62
160 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
161 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
162 0.34 0.17 0.34 0.17 0.59 0.59 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.34 0.59 0.17 0.17 0.34 0.34
163 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 1.06 0.77 0.77 1.06 0.77 0.77 0.77
164 0.41 0.41 0.51 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.51 0.41 0.41 0.51 0.41 0.41 0.41
165 0.83 0.83 0.83 0.83 0.92 0.92 0.83 0.83 0.83 0.83 0.83 0.83 0.92 0.83 0.92 0.83 0.83 0.83 0.83 0.83
166 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -0.81 -1.33 -1.33 -0.81 -1.33 -1.33 -1.33 -0.81 -0.81 -1.33 -1.33 -0.81 -1.33
167 -0.35 -0.35 0.09 0.09 0.26 -0.35 1.07 0.26 0.26 -0.35 0.26 -0.35 0.26 -0.35 0.26 -0.35 -0.35 -0.35 0.26 -0.35
168 0.14 0.59 0.59 0.59 0.59 0.59 0.14 -0.52 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.14 0.59 0.59
169 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
170 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.00 0.01 0.01 0.00
171 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33
172 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 -0.37 0.41 0.41
173 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.19 0.84 0.19 0.19 0.19 0.84 0.19 0.19
174 0.00 0.01 0.01 0.00 0.01 0.01 0.01 0.00 0.01 0.00 0.01 0.00 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01
175 0.14 0.36 0.36 0.14 0.36 -0.81 0.14 0.14 -1.33 1.07 0.36 0.36 -1.33 0.14 0.36 0.14 0.14 0.14 -0.81 0.14
184 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 -1.54 0.55 0.55 0.55 0.55 0.55 0.55
185 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
186 -0.52 0.59 0.14 0.59 -0.52 0.14 0.14 0.14 0.59 0.59 -0.52 0.14 -0.52 0.14 0.14 0.59 0.59 0.14 0.59 0.59
187 0.14 0.36 0.36 0.14 0.14 0.36 0.14 0.36 0.36 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.36 -0.81 0.14 0.14
188 1.07 1.07 1.07 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 1.07 0.26 0.26 1.07 1.07 1.07 1.07 0.26
189 -2.38 -0.79 -2.03 -0.79 -0.79 -2.03 -2.03 -0.79 -0.79 -0.79 -2.03 -2.03 0.52 -0.79 -2.38 0.10 -2.38 -2.38 -2.03 -2.03
190 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
191 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
192 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
193 -0.79 -0.79 -0.79 -0.79 -0.79 0.10 -0.79 -0.79 0.52 0.52 0.10 -0.79 -0.79 -0.79 -0.79 -0.79 -2.38 0.52 -2.38 -2.03
194 0.08 0.08 0.47 0.47 0.08 0.47 0.08 0.08 0.08 0.47 0.08 0.47 0.08 0.08 0.47 0.08 0.47 0.08 0.08 0.08
195 -0.68 -0.68 -0.68 0.29 -0.68 0.29 -0.68 -0.68 -0.68 0.29 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68
#Reported_Model_Average 0.485 0.518 0.478 0.496 0.477 0.507 0.465 0.512 0.480 0.509 0.504 0.466 0.495 0.483 0.457 0.488 0.496 0.459 0.424 0.442
#Overall_Average_Reported 0.482
Output from MolProbity
VdW violations from MAGE
JPEG image for MAGE VdW violation
Table of MAGE VdW violations for ordered residues across all models
#mage_clash
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
21.000 1 1 0 1 0 0 0 0 1 1 1 1 0 1 0 0 0 1 0 1
22.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
23.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
24.000 2 1 2 2 1 0 0 0 1 4 1 2 0 1 0 0 0 2 1 2
25.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
26.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
27.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
28.000 1 0 1 0 0 0 0 0 0 2 0 1 0 0 0 0 0 0 1 1
29.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
30.000 0 0 0 0 4 0 0 6 0 0 0 0 0 0 0 0 4 0 0 0
31.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
32.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
33.000 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0
34.000 0 1 0 0 0 0 0 1 0 0 0 2 0 0 0 1 0 0 0 0
35.000 1 1 2 2 2 0 1 1 1 1 0 2 0 2 0 0 1 0 1 0
36.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
42.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
43.000 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 3
44.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
45.000 0 0 2 0 1 0 0 0 0 0 2 0 0 0 2 2 1 1 0 0
46.000 0 1 0 0 1 1 1 1 0 1 0 1 1 0 0 0 0 1 0 1
47.000 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0
48.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
49.000 0 1 0 0 0 0 0 1 0 1 0 1 2 1 0 1 1 0 1 0
50.000 0 2 0 0 1 1 1 2 0 1 1 2 1 0 0 0 1 1 0 1
51.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
52.000 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0
53.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
54.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
55.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
56.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
57.000 1 0 1 0 0 1 0 0 1 0 0 1 0 1 0 1 0 1 1 1
58.000 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1
59.000 1 0 0 0 1 0 0 0 0 1 1 0 0 0 1 0 1 1 0 0
60.000 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0
61.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
62.000 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0
63.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
64.000 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 1 0 0 1 1
65.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
66.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
67.000 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 1 1 0 0
68.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
69.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
70.000 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0
71.000 0 0 0 2 0 0 0 0 1 2 1 1 0 0 0 0 1 0 0 0
72.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
73.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
74.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
75.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
76.000 0 1 0 0 0 0 0 1 0 1 0 1 1 1 0 1 1 0 1 0
77.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
78.000 0 0 0 2 0 0 0 0 1 2 1 1 0 0 0 0 1 0 0 0
79.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
80.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
81.000 1 0 1 0 0 1 0 0 1 0 0 0 0 1 0 0 0 1 1 1
82.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
84.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
85.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0
86.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
87.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
88.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
89.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
90.000 0 2 3 1 1 1 1 1 1 1 0 2 1 1 1 1 1 0 0 2
91.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
92.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1
93.000 0 0 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 0 0
95.000 0 0 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 0 0
97.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
98.000 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 2
99.000 3 1 1 2 2 2 1 1 1 1 2 2 0 2 0 0 1 0 1 0
100.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
101.000 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0
102.000 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 1 0 0
103.000 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
104.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
105.000 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 1 0
106.000 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
107.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
108.000 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 1 0 1 0
109.000 0 1 0 1 0 0 0 0 0 0 0 0 1 1 0 1 0 1 1 1
110.000 0 0 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 0 0
112.000 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 1 0 1 0
113.000 0 0 0 0 1 0 1 1 1 1 1 1 0 0 1 0 1 0 0 1
114.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
115.000 0 0 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 0 0
117.000 0 1 2 2 3 2 3 2 3 3 0 3 1 1 3 2 3 0 1 3
118.000 0 0 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 0 0
120.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
121.000 0 2 1 1 1 1 1 0 1 1 0 1 0 1 1 1 1 2 1 1
122.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1
123.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
124.000 0 0 0 1 1 2 1 1 1 1 1 0 0 1 1 1 2 0 1 1
125.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1
126.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
127.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
128.000 0 0 1 1 1 1 0 0 2 1 0 0 0 0 0 0 0 1 0 0
129.000 2 1 1 0 1 1 3 0 0 0 1 2 2 0 1 3 1 1 0 1
130.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
131.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
132.000 0 0 0 1 0 0 0 0 0 0 0 0 1 0 2 0 0 0 1 0
133.000 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0
134.000 1 1 0 1 1 0 1 0 0 1 1 0 1 0 1 1 1 0 1 1
135.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
136.000 0 0 2 2 0 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0
137.000 2 2 2 2 3 2 2 2 3 1 2 2 2 4 4 2 3 2 2 2
138.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
139.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1
147.000 3 2 8 2 3 8 2 6 7 2 3 2 2 3 4 5 3 2 2 3
148.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
149.000 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 1 0 0 0 0
150.000 0 1 4 2 1 5 0 3 3 0 0 0 2 0 2 2 0 1 0 0
151.000 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0
152.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
153.000 1 0 1 0 0 1 0 1 1 1 0 1 0 1 0 1 1 1 1 0
154.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
155.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
156.000 2 0 0 0 0 0 1 0 1 0 1 1 1 0 1 1 0 0 0 0
157.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
158.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
159.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
160.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0
161.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
162.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
163.000 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
164.000 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0
165.000 1 0 2 1 1 0 1 1 0 0 1 0 0 1 2 0 0 0 2 0
166.000 0 0 0 0 0 0 0 3 0 0 1 0 0 0 0 0 1 1 1 0
167.000 1 1 1 1 1 1 1 1 2 1 0 1 1 0 1 1 1 0 0 1
168.000 0 0 1 0 0 0 0 0 1 0 0 1 0 1 1 1 1 0 1 0
169.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
170.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
171.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
172.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
173.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
174.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
175.000 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0
184.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
185.000 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 2 0 0
186.000 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0
187.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
188.000 0 0 1 0 0 1 0 1 1 1 0 1 0 1 0 1 1 1 1 0
189.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
190.000 4 1 4 1 2 2 2 1 2 1 0 3 2 1 2 3 3 0 2 2
191.000 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0
192.000 0 0 1 1 1 0 1 1 0 0 0 0 0 1 1 0 0 0 1 0
193.000 0 0 0 0 0 0 0 3 0 0 1 0 1 0 0 0 1 1 1 0
194.000 0 2 0 1 1 2 1 1 1 1 1 0 0 1 1 1 2 0 1 1
195.000 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0
#Reported_Model_Average 0.195 0.273 0.338 0.234 0.240 0.273 0.227 0.325 0.312 0.273 0.214 0.312 0.201 0.247 0.260 0.279 0.318 0.286 0.240 0.266
#Overall_Average_Reported 0.266
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 147 LEU 2HD2 :A 134 PRO HA : -0.555: 0
: 3125:A 147 LEU 3HD2 :A 137 LEU HG : -0.493: 0
: 3125:A 147 LEU 1HD2 :A 137 LEU 1HB : -0.412: 0
: 3125:A 99 VAL 3HG1 :A 99 VAL O : -0.529: 0
: 3125:A 99 VAL O :A 35 CYS HA : -0.488: 0
: 3125:A 59 GLN HA :A 83 SER 1HB : -0.454: 0
: 3125:A 21 LEU O :A 24 VAL 2HG2 : -0.446: 0
: 3125:A 28 ILE 2HG1 :A 24 VAL O : -0.428: 0
: 3125:A 103 CYS SG :A 37 ALA 3HB : -0.433: 0
: 3125:A 57 VAL 2HG2 :A 81 VAL HB : -0.432: 0
: 3125:A 167 ILE O :A 190 LEU HA : -0.429: 0
: 3125:A 156 LEU 1HD1 :A 151 PRO 2HB : -0.423: 0
: 3125:A 129 LEU 1HB :A 190 LEU 1HB : -0.421: 0
: 3125:A 153 LEU 2HD2 :A 190 LEU 1HD2 : -0.405: 0
: 3125:A 190 LEU 2HB :A 165 TRP CE3 : -0.404: 0
: 3125:A 156 LEU 3HD1 :A 129 LEU 3HD1 : -0.402: 0
#sum2 ::5.12 clashscore : 5.12 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:354108 potential dots:22130.0 A^2:16 bumps:16 bumps B<40:945.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 163 LEU 2HD1 :A 163 LEU C : -0.537: 0
: 3125:A 194 LYS HA :A 163 LEU 3HD1 : -0.462: 0
: 3125:A 123 PRO HA :A 194 LYS CG : -0.407: 0
: 3125:A 134 PRO HA :A 147 LEU 2HD2 : -0.505: 0
: 3125:A 150 LEU 1HD1 :A 137 LEU HG : -0.473: 0
: 3125:A 137 LEU HG :A 147 LEU 3HD2 : -0.444: 0
: 3125:A 99 VAL 3HG1 :A 35 CYS HA : -0.465: 0
: 3125:A 106 PRO 1HD :A 109 LEU 2HD1 : -0.461: 0
: 3125:A 49 SER HA :A 76 VAL 1HG1 : -0.459: 0
: 3125:A 117 VAL HA :A 90 ILE 1HD1 : -0.455: 0
: 3125:A 34 LEU 3HD2 :A 90 ILE 2HG2 : -0.401: 0
: 3125:A 62 VAL 2HG2 :A 60 SER 1HB : -0.453: 0
: 3125:A 24 VAL 2HG2 :A 21 LEU O : -0.452: 0
: 3125:A 191 LEU 2HB :A 167 ILE HB : -0.437: 0
: 3125:A 121 LEU 1HD1 :A 125 GLY 2HA : -0.437: 0
: 3125:A 121 LEU 2HD1 :A 98 ILE 2HD1 : -0.419: 0
: 3125:A 133 ALA 3HB :A 186 ALA 3HB : -0.427: 0
: 3125:A 50 LEU 1HB :A 52 TYR HD2 : -0.411: 0
: 3125:A 50 LEU HG :A 46 PHE O : -0.400: 0
: 3125:A 64 LEU HG :A 58 ASP 2HB : -0.407: 0
: 3125:A 129 LEU 1HB :A 190 LEU 1HB : -0.403: 0
#sum2 ::6.72 clashscore : 6.72 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353751 potential dots:22110.0 A^2:21 bumps:21 bumps B<40:1001 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 147 LEU 1HB :A 137 LEU HG : -0.586: 0
: 3125:A 137 LEU CG :A 147 LEU 1HB : -0.563: 0
: 3125:A 147 LEU O :A 150 LEU HG : -0.543: 0
: 3125:A 150 LEU 1HD1 :A 147 LEU 2HB : -0.491: 0
: 3125:A 147 LEU CD2 :A 136 GLN 2HB : -0.471: 0
: 3125:A 150 LEU 1HD1 :A 147 LEU 3HD2 : -0.470: 0
: 3125:A 150 LEU HG :A 147 LEU CA : -0.405: 0
: 3125:A 147 LEU 2HD2 :A 136 GLN 2HB : -0.404: 0
: 3125:A 117 VAL HA :A 90 ILE 1HD1 : -0.523: 0
: 3125:A 117 VAL O :A 121 LEU 2HB : -0.473: 0
: 3125:A 90 ILE HB :A 98 ILE 3HD1 : -0.413: 0
: 3125:A 36 LEU 1HD1 :A 90 ILE 3HG2 : -0.407: 0
: 3125:A 42 ARG HA :A 45 CYS SG : -0.495: 0
: 3125:A 45 CYS SG :A 70 LEU 3HD2 : -0.463: 0
: 3125:A 129 LEU 1HB :A 190 LEU 1HB : -0.477: 0
: 3125:A 192 GLY 1HA :A 165 TRP HA : -0.473: 0
: 3125:A 168 ALA HA :A 190 LEU 3HD2 : -0.451: 0
: 3125:A 167 ILE O :A 190 LEU HA : -0.434: 0
: 3125:A 190 LEU 2HB :A 165 TRP CZ3 : -0.415: 0
: 3125:A 81 VAL HB :A 57 VAL 2HG2 : -0.476: 0
: 3125:A 35 CYS HA :A 99 VAL O : -0.467: 0
: 3125:A 35 CYS 2HB :A 56 ALA HA : -0.415: 0
: 3125:A 188 ILE HB :A 153 LEU 1HD2 : -0.459: 0
: 3125:A 62 VAL 2HG2 :A 60 SER 1HB : -0.444: 0
: 3125:A 28 ILE 2HG1 :A 24 VAL O : -0.435: 0
: 3125:A 128 ILE 1HD1 :A 24 VAL 1HG2 : -0.406: 0
#sum2 ::8.32 clashscore : 8.32 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353957 potential dots:22120.0 A^2:26 bumps:26 bumps B<40:873.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 147 LEU 2HD2 :A 134 PRO HA : -0.568: 0
: 3125:A 147 LEU 3HD2 :A 137 LEU HG : -0.526: 0
: 3125:A 137 LEU HG :A 150 LEU 1HD1 : -0.481: 0
: 3125:A 132 PHE 1HB :A 150 LEU 2HB : -0.438: 0
: 3125:A 78 ILE CG1 :A 71 ALA 2HB : -0.528: 0
: 3125:A 78 ILE 1HG1 :A 71 ALA 2HB : -0.440: 0
: 3125:A 124 GLY H :A 194 LYS 2HB : -0.518: 0
: 3125:A 90 ILE 1HD1 :A 117 VAL HA : -0.514: 0
: 3125:A 121 LEU 2HB :A 117 VAL O : -0.462: 0
: 3125:A 192 GLY 1HA :A 165 TRP HA : -0.497: 0
: 3125:A 136 GLN O :A 140 ASN 1HB : -0.488: 0
: 3125:A 136 GLN O :A 140 ASN N : -0.474: 0
: 3125:A 21 LEU O :A 24 VAL 2HG2 : -0.481: 0
: 3125:A 128 ILE 1HD1 :A 24 VAL 1HG2 : -0.475: 0
: 3125:A 99 VAL O :A 35 CYS HA : -0.475: 0
: 3125:A 99 VAL 3HG1 :A 35 CYS HA : -0.453: 0
: 3125:A 133 ALA 3HB :A 186 ALA 3HB : -0.461: 0
: 3125:A 109 LEU 2HD1 :A 106 PRO 1HD : -0.432: 0
: 3125:A 167 ILE O :A 190 LEU HA : -0.412: 0
#sum2 ::6.08 clashscore : 6.08 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353517 potential dots:22090.0 A^2:19 bumps:19 bumps B<40:1013 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 30 GLN CD :A 30 GLN O : -0.780: 0
: 3125:A 30 GLN O :A 30 GLN CG : -0.458: 0
: 3125:A 124 GLY H :A 194 LYS 2HB : -0.573: 0
: 3125:A 147 LEU 3HD2 :A 137 LEU HG : -0.519: 0
: 3125:A 147 LEU 2HD2 :A 134 PRO HA : -0.508: 0
: 3125:A 137 LEU HG :A 150 LEU 1HD1 : -0.432: 0
: 3125:A 137 LEU 2HD1 :A 147 LEU HG : -0.428: 0
: 3125:A 90 ILE 1HD1 :A 117 VAL HA : -0.491: 0
: 3125:A 121 LEU 2HB :A 117 VAL O : -0.468: 0
: 3125:A 117 VAL 3HG2 :A 113 LEU O : -0.412: 0
: 3125:A 192 GLY 1HA :A 165 TRP HA : -0.478: 0
: 3125:A 129 LEU 1HB :A 190 LEU 1HB : -0.448: 0
: 3125:A 167 ILE O :A 190 LEU HA : -0.446: 0
: 3125:A 46 PHE O :A 50 LEU HG : -0.442: 0
: 3125:A 10 GLU 2HG :A 8 GLN 2HG : -0.441: 0
: 3125:A 99 VAL 3HG1 :A 35 CYS HA : -0.435: 0
: 3125:A 99 VAL O :A 35 CYS HA : -0.425: 0
: 3125:A 128 ILE 1HD1 :A 24 VAL 1HG2 : -0.429: 0
: 3125:A 59 GLN HA :A 83 SER 1HB : -0.422: 0
: 3125:A 67 ALA HA :A 45 CYS SG : -0.408: 0
#sum2 ::6.40 clashscore : 6.40 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353643 potential dots:22100.0 A^2:20 bumps:20 bumps B<40:966.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 147 LEU 1HB :A 137 LEU HG : -0.691: 0
: 3125:A 137 LEU CG :A 147 LEU 1HB : -0.656: 0
: 3125:A 147 LEU O :A 150 LEU HG : -0.481: 0
: 3125:A 147 LEU CD2 :A 136 GLN 2HB : -0.475: 0
: 3125:A 150 LEU 1HD1 :A 147 LEU 2HB : -0.475: 0
: 3125:A 147 LEU CA :A 150 LEU HG : -0.437: 0
: 3125:A 150 LEU 1HD1 :A 147 LEU 3HD2 : -0.409: 0
: 3125:A 147 LEU HG :A 150 LEU 1HD2 : -0.402: 0
: 3125:A 124 GLY H :A 194 LYS 2HB : -0.551: 0
: 3125:A 194 LYS CB :A 124 GLY H : -0.485: 0
: 3125:A 64 LEU HG :A 58 ASP 2HB : -0.550: 0
: 3125:A 117 VAL HA :A 90 ILE 1HD1 : -0.527: 0
: 3125:A 117 VAL O :A 121 LEU 2HB : -0.513: 0
: 3125:A 99 VAL 3HG1 :A 99 VAL O : -0.512: 0
: 3125:A 167 ILE O :A 190 LEU HA : -0.476: 0
: 3125:A 129 LEU 1HB :A 190 LEU 1HB : -0.401: 0
: 3125:A 57 VAL HA :A 81 VAL HB : -0.471: 0
: 3125:A 195 LEU 1HD2 :A 164 ASN 2HB : -0.469: 0
: 3125:A 188 ILE HB :A 153 LEU 1HD2 : -0.433: 0
: 3125:A 128 ILE 1HG1 :A 191 LEU 3HD1 : -0.410: 0
: 3125:A 46 PHE O :A 50 LEU HG : -0.400: 0
#sum2 ::6.72 clashscore : 6.72 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353620 potential dots:22100.0 A^2:21 bumps:21 bumps B<40:949.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 147 LEU 2HD2 :A 134 PRO HA : -0.543: 0
: 3125:A 143 GLY 2HA :A 137 LEU 2HB : -0.462: 0
: 3125:A 147 LEU N :A 137 LEU 1HD1 : -0.416: 0
: 3125:A 58 ASP 2HB :A 64 LEU HG : -0.502: 0
: 3125:A 129 LEU 1HB :A 190 LEU 1HB : -0.498: 0
: 3125:A 129 LEU HA :A 102 PHE 1HB : -0.481: 0
: 3125:A 167 ILE O :A 190 LEU HA : -0.460: 0
: 3125:A 156 LEU 3HD1 :A 129 LEU 3HD1 : -0.432: 0
: 3125:A 62 VAL 2HG2 :A 60 SER 1HB : -0.477: 0
: 3125:A 121 LEU 2HB :A 117 VAL O : -0.468: 0
: 3125:A 90 ILE 1HD1 :A 117 VAL HA : -0.433: 0
: 3125:A 113 LEU O :A 117 VAL 3HG2 : -0.406: 0
: 3125:A 112 GLN 1HG :A 108 SER O : -0.450: 0
: 3125:A 99 VAL O :A 35 CYS HA : -0.434: 0
: 3125:A 101 ILE N :A 101 ILE 2HD1 : -0.429: 0
: 3125:A 192 GLY 1HA :A 165 TRP HA : -0.419: 0
: 3125:A 46 PHE O :A 50 LEU HG : -0.414: 0
: 3125:A 124 GLY H :A 194 LYS 2HB : -0.409: 0
#sum2 ::5.76 clashscore : 5.76 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353563 potential dots:22100.0 A^2:18 bumps:18 bumps B<40:940.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 30 GLN O :A 30 GLN CD : -0.788: 0
: 3125:A 30 GLN O :A 30 GLN CG : -0.486: 0
: 3125:A 30 GLN NE2 :A 30 GLN O : -0.405: 0
: 3125:A 137 LEU CG :A 147 LEU 1HB : -0.673: 0
: 3125:A 147 LEU 1HB :A 137 LEU HG : -0.649: 0
: 3125:A 150 LEU 1HD1 :A 147 LEU 2HB : -0.493: 0
: 3125:A 147 LEU O :A 150 LEU HG : -0.480: 0
: 3125:A 150 LEU 1HD1 :A 147 LEU 3HD2 : -0.442: 0
: 3125:A 147 LEU 2HD2 :A 136 GLN 2HB : -0.407: 0
: 3125:A 192 GLY 1HA :A 165 TRP HA : -0.458: 0
: 3125:A 49 SER HA :A 76 VAL 1HG1 : -0.458: 0
: 3125:A 34 LEU 1HD2 :A 89 ASP O : -0.457: 0
: 3125:A 188 ILE HB :A 153 LEU 1HD2 : -0.454: 0
: 3125:A 35 CYS HA :A 99 VAL O : -0.453: 0
: 3125:A 167 ILE O :A 190 LEU HA : -0.450: 0
: 3125:A 46 PHE O :A 50 LEU HG : -0.449: 0
: 3125:A 50 LEU 2HD1 :A 47 LEU HA : -0.411: 0
: 3125:A 166 LEU CD2 :A 193 GLN 1HG : -0.444: 0
: 3125:A 166 LEU 1HD2 :A 193 GLN 1HG : -0.442: 0
: 3125:A 166 LEU CG :A 193 GLN 1HG : -0.433: 0
: 3125:A 149 LEU N :A 149 LEU CD1 : -0.442: 0
: 3125:A 182 GLN HA :A 177 GLU HA : -0.430: 0
: 3125:A 194 LYS CB :A 124 GLY H : -0.429: 0
: 3125:A 144 PRO 2HD :A 143 GLY N : -0.424: 0
: 3125:A 117 VAL HA :A 90 ILE 1HD1 : -0.424: 0
: 3125:A 117 VAL 3HG2 :A 113 LEU O : -0.406: 0
: 3125:A 38 GLU H :A 38 GLU CD : -0.416: 0
: 3125:A 52 TYR 2HB :A 33 ILE 2HD1 : -0.413: 0
#sum2 ::8.96 clashscore : 8.96 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353730 potential dots:22110.0 A^2:28 bumps:28 bumps B<40:958.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 147 LEU 1HB :A 137 LEU HG : -0.761: 0
: 3125:A 137 LEU CG :A 147 LEU 1HB : -0.697: 0
: 3125:A 150 LEU 1HD1 :A 147 LEU 2HB : -0.542: 0
: 3125:A 147 LEU CD2 :A 136 GLN 2HB : -0.457: 0
: 3125:A 147 LEU O :A 150 LEU HG : -0.450: 0
: 3125:A 150 LEU 1HD1 :A 147 LEU 3HD2 : -0.446: 0
: 3125:A 147 LEU 1HB :A 137 LEU CD1 : -0.408: 0
: 3125:A 117 VAL HA :A 90 ILE 1HD1 : -0.488: 0
: 3125:A 117 VAL 3HG2 :A 113 LEU O : -0.418: 0
: 3125:A 117 VAL O :A 121 LEU 2HB : -0.413: 0
: 3125:A 149 LEU 3HD1 :A 145 LYS HA : -0.479: 0
: 3125:A 145 LYS HA :A 148 ASP 1HB : -0.476: 0
: 3125:A 57 VAL HA :A 81 VAL HB : -0.462: 0
: 3125:A 194 LYS CB :A 124 GLY H : -0.456: 0
: 3125:A 24 VAL 2HG2 :A 21 LEU O : -0.442: 0
: 3125:A 128 ILE HB :A 101 ILE HA : -0.438: 0
: 3125:A 128 ILE 2HD1 :A 101 ILE CD1 : -0.412: 0
: 3125:A 188 ILE HB :A 153 LEU 1HD2 : -0.408: 0
: 3125:A 71 ALA 2HB :A 78 ILE CG1 : -0.408: 0
: 3125:A 52 TYR 2HB :A 33 ILE 2HD1 : -0.407: 0
: 3125:A 156 LEU 1HD1 :A 151 PRO 1HB : -0.405: 0
: 3125:A 99 VAL 3HG1 :A 35 CYS HA : -0.403: 0
: 3125:A 168 ALA HA :A 190 LEU 3HD2 : -0.402: 0
: 3125:A 191 LEU 2HB :A 167 ILE HB : -0.402: 0
: 3125:A 167 ILE O :A 190 LEU HA : -0.401: 0
#sum2 ::8.00 clashscore : 8.00 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353623 potential dots:22100.0 A^2:25 bumps:25 bumps B<40:1015 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 71 ALA 2HB :A 78 ILE CG1 : -0.566: 0
: 3125:A 78 ILE 1HG1 :A 71 ALA 2HB : -0.450: 0
: 3125:A 137 LEU HG :A 147 LEU 3HD2 : -0.524: 0
: 3125:A 40 GLU 2HG :A 43 ASN 1HB : -0.524: 0
: 3125:A 134 PRO HA :A 147 LEU 2HD2 : -0.492: 0
: 3125:A 117 VAL HA :A 90 ILE 1HD1 : -0.518: 0
: 3125:A 117 VAL O :A 121 LEU 2HB : -0.429: 0
: 3125:A 117 VAL 3HG2 :A 113 LEU O : -0.409: 0
: 3125:A 24 VAL 1HG1 :A 128 ILE 1HG1 : -0.475: 0
: 3125:A 24 VAL O :A 28 ILE N : -0.433: 0
: 3125:A 24 VAL 2HG2 :A 21 LEU O : -0.411: 0
: 3125:A 28 ILE 2HG1 :A 24 VAL O : -0.408: 0
: 3125:A 64 LEU HG :A 58 ASP 2HB : -0.468: 0
: 3125:A 195 LEU 1HD2 :A 164 ASN 2HB : -0.450: 0
: 3125:A 124 GLY H :A 194 LYS 2HB : -0.436: 0
: 3125:A 92 ALA CB :A 122 LYS H : -0.435: 0
: 3125:A 12 VAL 3HG1 :A 13 TYR N : -0.426: 0
: 3125:A 188 ILE HB :A 153 LEU 1HD2 : -0.424: 0
: 3125:A 167 ILE O :A 190 LEU HA : -0.422: 0
: 3125:A 59 GLN HA :A 83 SER 1HB : -0.419: 0
: 3125:A 49 SER HA :A 76 VAL 1HG1 : -0.418: 0
: 3125:A 99 VAL CG1 :A 35 CYS SG : -0.402: 0
: 3125:A 46 PHE O :A 50 LEU HG : -0.400: 0
#sum2 ::7.36 clashscore : 7.36 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353836 potential dots:22110.0 A^2:23 bumps:23 bumps B<40:979.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 10 GLU 2HG :A 8 GLN 2HG : -0.626: 0
: 3125:A 147 LEU 2HD2 :A 134 PRO HA : -0.504: 0
: 3125:A 147 LEU 3HD2 :A 137 LEU HG : -0.470: 0
: 3125:A 137 LEU 2HD1 :A 147 LEU HG : -0.414: 0
: 3125:A 102 PHE HA :A 129 LEU 3HD2 : -0.475: 0
: 3125:A 160 LEU 1HB :A 165 TRP HZ2 : -0.468: 0
: 3125:A 78 ILE CG1 :A 71 ALA 2HB : -0.449: 0
: 3125:A 156 LEU 1HD1 :A 151 PRO 2HB : -0.448: 0
: 3125:A 45 CYS 2HB :A 67 ALA HA : -0.441: 0
: 3125:A 45 CYS SG :A 70 LEU 3HD2 : -0.406: 0
: 3125:A 124 GLY H :A 194 LYS CB : -0.436: 0
: 3125:A 47 LEU HA :A 50 LEU 2HD1 : -0.420: 0
: 3125:A 58 ASP 2HB :A 64 LEU HG : -0.418: 0
: 3125:A 99 VAL O :A 99 VAL 3HG1 : -0.409: 0
: 3125:A 21 LEU O :A 24 VAL 2HG2 : -0.409: 0
: 3125:A 59 GLN HA :A 83 SER 1HB : -0.401: 0
: 3125:A 193 GLN 1HB :A 166 LEU HG : -0.400: 0
: 3125:A 85 LEU 3HD1 :A 113 LEU 1HB : -0.400: 0
#sum2 ::5.76 clashscore : 5.76 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353478 potential dots:22090.0 A^2:18 bumps:18 bumps B<40:1012 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 129 LEU 1HB :A 190 LEU 1HB : -0.534: 0
: 3125:A 167 ILE O :A 190 LEU HA : -0.450: 0
: 3125:A 129 LEU 3HD1 :A 156 LEU 3HD1 : -0.448: 0
: 3125:A 168 ALA HA :A 190 LEU 3HD2 : -0.414: 0
: 3125:A 137 LEU HG :A 147 LEU 3HD2 : -0.506: 0
: 3125:A 137 LEU 2HD1 :A 147 LEU HG : -0.444: 0
: 3125:A 117 VAL HA :A 90 ILE 1HD1 : -0.503: 0
: 3125:A 57 VAL 3HG2 :A 34 LEU 1HD1 : -0.437: 0
: 3125:A 90 ILE 2HG2 :A 34 LEU 3HD2 : -0.434: 0
: 3125:A 117 VAL O :A 121 LEU 2HB : -0.429: 0
: 3125:A 117 VAL 3HG2 :A 113 LEU O : -0.426: 0
: 3125:A 35 CYS HA :A 99 VAL O : -0.470: 0
: 3125:A 99 VAL 3HG1 :A 35 CYS HA : -0.433: 0
: 3125:A 46 PHE O :A 50 LEU HG : -0.459: 0
: 3125:A 25 ALA 1HB :A 50 LEU CD1 : -0.423: 0
: 3125:A 112 GLN 1HG :A 108 SER O : -0.444: 0
: 3125:A 64 LEU HG :A 58 ASP 2HB : -0.427: 0
: 3125:A 24 VAL 2HG2 :A 21 LEU O : -0.426: 0
: 3125:A 24 VAL O :A 28 ILE 2HG1 : -0.400: 0
: 3125:A 153 LEU HG :A 188 ILE HB : -0.425: 0
: 3125:A 49 SER HA :A 76 VAL 1HG1 : -0.418: 0
: 3125:A 127 PHE CD1 :A 100 SER 1HB : -0.414: 0
: 3125:A 43 ASN 2HD2 :A 43 ASN HA : -0.406: 0
: 3125:A 71 ALA 2HB :A 78 ILE CG1 : -0.405: 0
#sum2 ::7.68 clashscore : 7.68 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353594 potential dots:22100.0 A^2:24 bumps:24 bumps B<40:934.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 147 LEU 3HD2 :A 137 LEU HG : -0.542: 0
: 3125:A 137 LEU HG :A 150 LEU 1HD1 : -0.413: 0
: 3125:A 147 LEU 2HD2 :A 134 PRO HA : -0.413: 0
: 3125:A 132 PHE 1HB :A 150 LEU 2HB : -0.401: 0
: 3125:A 90 ILE 1HD1 :A 117 VAL HA : -0.489: 0
: 3125:A 129 LEU 1HB :A 190 LEU 1HB : -0.475: 0
: 3125:A 167 ILE O :A 190 LEU HA : -0.447: 0
: 3125:A 156 LEU 3HD1 :A 129 LEU 3HD1 : -0.402: 0
: 3125:A 58 ASP 2HB :A 64 LEU HG : -0.462: 0
: 3125:A 46 PHE O :A 50 LEU HG : -0.450: 0
: 3125:A 109 LEU CB :A 105 LEU 2HB : -0.442: 0
: 3125:A 175 LEU 1HD2 :A 185 ALA 2HB : -0.420: 0
: 3125:A 14 GLY 1HA :A 49 SER 2HB : -0.415: 0
: 3125:A 49 SER HA :A 76 VAL 1HG1 : -0.403: 0
: 3125:A 139 TYR CD2 :A 136 GLN HA : -0.408: 0
: 3125:A 27 GLN 2HB :A 193 GLN NE2 : -0.404: 0
#sum2 ::5.12 clashscore : 5.12 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353875 potential dots:22120.0 A^2:16 bumps:16 bumps B<40:949.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 124 GLY H :A 194 LYS 2HB : -0.551: 0
: 3125:A 121 LEU 2HD1 :A 98 ILE 2HD1 : -0.499: 0
: 3125:A 137 LEU 1HB :A 147 LEU HG : -0.473: 0
: 3125:A 188 ILE HB :A 153 LEU 1HD2 : -0.473: 0
: 3125:A 137 LEU 2HD1 :A 147 LEU HA : -0.453: 0
: 3125:A 137 LEU 3HD1 :A 145 LYS HA : -0.437: 0
: 3125:A 147 LEU CD2 :A 137 LEU 1HB : -0.412: 0
: 3125:A 49 SER HA :A 76 VAL 1HG1 : -0.465: 0
: 3125:A 117 VAL HA :A 90 ILE 1HD1 : -0.462: 0
: 3125:A 35 CYS HA :A 99 VAL O : -0.456: 0
: 3125:A 99 VAL 3HG1 :A 35 CYS HA : -0.444: 0
: 3125:A 64 LEU HG :A 58 ASP 2HB : -0.450: 0
: 3125:A 38 GLU 2HB :A 103 CYS HA : -0.438: 0
: 3125:A 81 VAL HB :A 57 VAL 2HG2 : -0.427: 0
: 3125:A 175 LEU 1HD1 :A 185 ALA 2HB : -0.422: 0
: 3125:A 105 LEU 2HB :A 109 LEU 1HB : -0.416: 0
: 3125:A 192 GLY 1HA :A 165 TRP HA : -0.411: 0
: 3125:A 24 VAL 2HG2 :A 21 LEU O : -0.409: 0
: 3125:A 62 VAL 2HG2 :A 60 SER 1HB : -0.405: 0
: 3125:A 168 ALA HA :A 190 LEU 3HD2 : -0.400: 0
#sum2 ::6.40 clashscore : 6.40 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353456 potential dots:22090.0 A^2:20 bumps:20 bumps B<40:934.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 45 CYS SG :A 70 LEU 3HD2 : -0.524: 0
: 3125:A 42 ARG HA :A 45 CYS SG : -0.484: 0
: 3125:A 137 LEU 2HD2 :A 143 GLY 2HA : -0.513: 0
: 3125:A 117 VAL HA :A 90 ILE 1HD1 : -0.513: 0
: 3125:A 134 PRO HA :A 147 LEU 2HD2 : -0.489: 0
: 3125:A 117 VAL O :A 121 LEU 2HB : -0.461: 0
: 3125:A 137 LEU HG :A 147 LEU 3HD2 : -0.451: 0
: 3125:A 147 LEU N :A 137 LEU 2HD1 : -0.449: 0
: 3125:A 137 LEU 2HD1 :A 147 LEU HG : -0.436: 0
: 3125:A 117 VAL 3HG2 :A 113 LEU O : -0.405: 0
: 3125:A 124 GLY H :A 194 LYS 2HB : -0.497: 0
: 3125:A 64 LEU HG :A 58 ASP 2HB : -0.455: 0
: 3125:A 156 LEU 3HD1 :A 129 LEU 2HD2 : -0.454: 0
: 3125:A 192 GLY 1HA :A 165 TRP HA : -0.453: 0
: 3125:A 160 LEU 1HB :A 165 TRP HZ2 : -0.411: 0
: 3125:A 132 PHE 1HB :A 150 LEU 3HD1 : -0.450: 0
: 3125:A 132 PHE 1HB :A 150 LEU 2HD2 : -0.407: 0
: 3125:A 167 ILE O :A 190 LEU HA : -0.438: 0
: 3125:A 168 ALA HA :A 190 LEU 3HD2 : -0.400: 0
: 3125:A 59 GLN HA :A 83 SER 1HB : -0.435: 0
: 3125:A 145 LYS H :A 144 PRO 1HG : -0.412: 0
: 3125:A 112 GLN 1HG :A 108 SER O : -0.408: 0
#sum2 ::7.04 clashscore : 7.04 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353750 potential dots:22110.0 A^2:22 bumps:22 bumps B<40:905.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 149 LEU 1HB :A 144 PRO 1HG : -0.531: 0
: 3125:A 137 LEU HG :A 147 LEU 3HD2 : -0.515: 0
: 3125:A 134 PRO HA :A 147 LEU 2HD2 : -0.443: 0
: 3125:A 137 LEU 2HD1 :A 147 LEU HG : -0.431: 0
: 3125:A 150 LEU HG :A 147 LEU HA : -0.409: 0
: 3125:A 147 LEU 3HD2 :A 150 LEU CD1 : -0.408: 0
: 3125:A 129 LEU 1HB :A 190 LEU 1HB : -0.512: 0
: 3125:A 129 LEU 3HD2 :A 102 PHE HA : -0.486: 0
: 3125:A 167 ILE O :A 190 LEU HA : -0.450: 0
: 3125:A 168 ALA HA :A 190 LEU 3HD2 : -0.434: 0
: 3125:A 156 LEU 3HD1 :A 129 LEU 3HD1 : -0.405: 0
: 3125:A 117 VAL HA :A 90 ILE 1HD1 : -0.481: 0
: 3125:A 117 VAL O :A 121 LEU 2HB : -0.473: 0
: 3125:A 124 GLY H :A 194 LYS 2HB : -0.454: 0
: 3125:A 45 CYS SG :A 67 ALA HA : -0.448: 0
: 3125:A 45 CYS 1HB :A 70 LEU 3HD2 : -0.446: 0
: 3125:A 49 SER HA :A 76 VAL 1HG1 : -0.438: 0
: 3125:A 188 ILE HB :A 153 LEU 1HD2 : -0.437: 0
: 3125:A 112 GLN 1HG :A 108 SER O : -0.434: 0
: 3125:A 105 LEU 2HB :A 109 LEU 1HB : -0.430: 0
: 3125:A 64 LEU HG :A 58 ASP 2HB : -0.413: 0
: 3125:A 57 VAL 3HG2 :A 34 LEU 1HD1 : -0.404: 0
#sum2 ::7.04 clashscore : 7.04 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:354018 potential dots:22130.0 A^2:22 bumps:22 bumps B<40:1045 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 30 GLN O :A 30 GLN CD : -0.776: 0
: 3125:A 30 GLN O :A 30 GLN CG : -0.489: 0
: 3125:A 37 ALA 1HB :A 59 GLN 2HG : -0.536: 0
: 3125:A 58 ASP HA :A 37 ALA HA : -0.436: 0
: 3125:A 134 PRO HA :A 147 LEU 2HD2 : -0.515: 0
: 3125:A 137 LEU 2HD1 :A 147 LEU HG : -0.482: 0
: 3125:A 137 LEU HG :A 147 LEU 3HD2 : -0.471: 0
: 3125:A 137 LEU 1HD2 :A 143 GLY 2HA : -0.402: 0
: 3125:A 117 VAL HA :A 90 ILE 1HD1 : -0.492: 0
: 3125:A 117 VAL O :A 121 LEU 2HB : -0.474: 0
: 3125:A 117 VAL 3HG2 :A 113 LEU O : -0.423: 0
: 3125:A 167 ILE O :A 190 LEU HA : -0.479: 0
: 3125:A 168 ALA HA :A 190 LEU 3HD2 : -0.426: 0
: 3125:A 129 LEU 1HB :A 190 LEU 1HB : -0.415: 0
: 3125:A 71 ALA 2HB :A 78 ILE CG1 : -0.470: 0
: 3125:A 194 LYS CB :A 124 GLY H : -0.464: 0
: 3125:A 194 LYS 2HB :A 124 GLY H : -0.406: 0
: 3125:A 45 CYS SG :A 67 ALA HA : -0.445: 0
: 3125:A 35 CYS HA :A 99 VAL O : -0.427: 0
: 3125:A 188 ILE HB :A 153 LEU 1HD2 : -0.423: 0
: 3125:A 49 SER HA :A 76 VAL 1HG1 : -0.418: 0
: 3125:A 112 GLN 1HG :A 108 SER O : -0.417: 0
: 3125:A 50 LEU 2HD1 :A 47 LEU HA : -0.414: 0
: 3125:A 52 TYR 2HB :A 33 ILE 2HD1 : -0.414: 0
: 3125:A 133 ALA 3HB :A 186 ALA CB : -0.406: 0
: 3125:A 166 LEU HG :A 193 GLN 1HB : -0.400: 0
#sum2 ::8.32 clashscore : 8.32 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353538 potential dots:22100.0 A^2:26 bumps:26 bumps B<40:950.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 137 LEU 2HD2 :A 143 GLY CA : -0.565: 0
: 3125:A 150 LEU 1HD1 :A 147 LEU 3HD2 : -0.515: 0
: 3125:A 147 LEU N :A 137 LEU 2HD1 : -0.514: 0
: 3125:A 189 GLN 2HB :A 169 ASN 1HB : -0.556: 0
: 3125:A 45 CYS SG :A 67 ALA HA : -0.510: 0
: 3125:A 59 GLN HA :A 83 SER 1HB : -0.488: 0
: 3125:A 10 GLU 2HG :A 8 GLN 2HG : -0.480: 0
: 3125:A 129 LEU 3HD2 :A 102 PHE HA : -0.473: 0
: 3125:A 81 VAL HB :A 57 VAL 2HG2 : -0.469: 0
: 3125:A 187 LEU 1HB :A 171 LEU 1HB : -0.463: 0
: 3125:A 46 PHE O :A 50 LEU HG : -0.460: 0
: 3125:A 121 LEU 1HD1 :A 125 GLY 2HA : -0.456: 0
: 3125:A 121 LEU 2HD1 :A 98 ILE 2HD1 : -0.446: 0
: 3125:A 37 ALA 2HB :A 58 ASP HA : -0.453: 0
: 3125:A 37 ALA CB :A 58 ASP HA : -0.409: 0
: 3125:A 24 VAL 2HG2 :A 21 LEU O : -0.451: 0
: 3125:A 128 ILE 1HD1 :A 24 VAL 1HG1 : -0.408: 0
: 3125:A 88 PHE O :A 85 LEU HA : -0.449: 0
: 3125:A 185 ALA 1HB :A 133 ALA 1HB : -0.448: 0
: 3125:A 185 ALA 3HB :A 173 ARG 2HB : -0.416: 0
: 3125:A 105 LEU 2HB :A 109 LEU 1HB : -0.432: 0
: 3125:A 193 GLN 1HG :A 166 LEU 1HD1 : -0.429: 0
: 3125:A 60 SER 2HB :A 62 VAL 2HG2 : -0.419: 0
: 3125:A 195 LEU 1HD1 :A 164 ASN H : -0.414: 0
: 3125:A 188 ILE HB :A 153 LEU 1HD2 : -0.407: 0
#sum2 ::8.00 clashscore : 8.00 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353744 potential dots:22110.0 A^2:25 bumps:25 bumps B<40:969.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 137 LEU HG :A 147 LEU 3HD2 : -0.522: 0
: 3125:A 134 PRO HA :A 147 LEU 2HD2 : -0.494: 0
: 3125:A 137 LEU 2HD2 :A 143 GLY 1HA : -0.482: 0
: 3125:A 13 TYR O :A 13 TYR CD1 : -0.488: 0
: 3125:A 105 LEU 2HB :A 109 LEU 1HB : -0.474: 0
: 3125:A 117 VAL O :A 121 LEU 2HB : -0.461: 0
: 3125:A 112 GLN 1HG :A 108 SER O : -0.460: 0
: 3125:A 64 LEU HG :A 58 ASP 2HB : -0.455: 0
: 3125:A 49 SER HA :A 76 VAL 1HG1 : -0.447: 0
: 3125:A 166 LEU HG :A 193 GLN 1HB : -0.442: 0
: 3125:A 28 ILE 2HG1 :A 24 VAL O : -0.438: 0
: 3125:A 99 VAL 3HG1 :A 35 CYS HA : -0.422: 0
: 3125:A 81 VAL HB :A 57 VAL 2HG2 : -0.419: 0
: 3125:A 190 LEU 2HB :A 165 TRP CZ3 : -0.419: 0
: 3125:A 132 PHE H :A 151 PRO 1HD : -0.419: 0
: 3125:A 192 GLY 1HA :A 165 TRP HA : -0.410: 0
: 3125:A 168 ALA HA :A 190 LEU 3HD2 : -0.400: 0
: 3125:A 194 LYS CB :A 124 GLY H : -0.416: 0
: 3125:A 188 ILE HB :A 153 LEU 1HD2 : -0.413: 0
: 3125:A 133 ALA 3HB :A 186 ALA 1HB : -0.413: 0
#sum2 ::6.40 clashscore : 6.40 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353663 potential dots:22100.0 A^2:20 bumps:20 bumps B<40:1050 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 3125:A 129 LEU 1HB :A 190 LEU 1HB : -0.550: 0
: 3125:A 167 ILE O :A 190 LEU HA : -0.451: 0
: 3125:A 124 GLY H :A 194 LYS 2HB : -0.533: 0
: 3125:A 117 VAL HA :A 90 ILE 1HD1 : -0.527: 0
: 3125:A 117 VAL O :A 121 LEU 2HB : -0.465: 0
: 3125:A 117 VAL 3HG2 :A 113 LEU O : -0.427: 0
: 3125:A 90 ILE HB :A 98 ILE 3HD1 : -0.423: 0
: 3125:A 125 GLY 1HA :A 98 ILE H : -0.423: 0
: 3125:A 137 LEU 2HD1 :A 147 LEU HG : -0.486: 0
: 3125:A 134 PRO HA :A 147 LEU 2HD2 : -0.468: 0
: 3125:A 137 LEU HG :A 147 LEU 3HD2 : -0.430: 0
: 3125:A 64 LEU HG :A 58 ASP 2HB : -0.462: 0
: 3125:A 92 ALA CB :A 122 LYS H : -0.453: 0
: 3125:A 24 VAL 2HG2 :A 21 LEU O : -0.449: 0
: 3125:A 28 ILE 2HG1 :A 24 VAL O : -0.421: 0
: 3125:A 40 GLU O :A 43 ASN 1HB : -0.444: 0
: 3125:A 43 ASN 2HD2 :A 43 ASN HA : -0.405: 0
: 3125:A 106 PRO 1HD :A 109 LEU 2HD1 : -0.442: 0
: 3125:A 81 VAL HB :A 57 VAL 2HG2 : -0.438: 0
: 3125:A 46 PHE O :A 50 LEU HG : -0.424: 0
: 3125:A 135 GLU 2HB :A 139 TYR CE1 : -0.403: 0
#sum2 ::6.72 clashscore : 6.72 clashscore B<40
#summary::3125 atoms:3125 atoms B<40:353814 potential dots:22110.0 A^2:21 bumps:21 bumps B<40:963.9 score
Output from PDB validation software
Summary from PDB validation
May. 10, 19:33:13 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
none
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.015 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 1.1 degrees.
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
--------------------------------------------------------------------------------
-7.5 CYS A 35 1 N - CA - CB 103.0 110.5
-8.2 CYS A 45 1 N - CA - CB 102.3 110.5
-7.1 CYS A 103 1 N - CA - CB 103.4 110.5
-7.4 CYS A 35 2 N - CA - CB 103.1 110.5
-8.2 CYS A 45 2 N - CA - CB 102.3 110.5
-7.2 CYS A 103 2 N - CA - CB 103.3 110.5
-7.5 CYS A 35 3 N - CA - CB 103.0 110.5
-8.2 CYS A 45 3 N - CA - CB 102.3 110.5
-7.7 CYS A 103 3 N - CA - CB 102.8 110.5
-7.6 CYS A 35 4 N - CA - CB 102.9 110.5
-8.3 CYS A 45 4 N - CA - CB 102.2 110.5
-7.7 CYS A 103 4 N - CA - CB 102.8 110.5
-7.7 CYS A 35 5 N - CA - CB 102.8 110.5
-7.9 CYS A 45 5 N - CA - CB 102.6 110.5
-7.6 CYS A 103 5 N - CA - CB 102.9 110.5
-7.0 CYS A 35 6 N - CA - CB 103.5 110.5
-8.4 CYS A 45 6 N - CA - CB 102.1 110.5
-7.1 CYS A 103 6 N - CA - CB 103.4 110.5
-7.5 CYS A 35 7 N - CA - CB 103.0 110.5
-8.1 CYS A 45 7 N - CA - CB 102.4 110.5
-7.7 CYS A 103 7 N - CA - CB 102.8 110.5
-7.9 CYS A 35 8 N - CA - CB 102.6 110.5
-8.2 CYS A 45 8 N - CA - CB 102.3 110.5
-7.5 CYS A 103 8 N - CA - CB 103.0 110.5
-7.2 LEU A 187 8 N - CA - C 104.0 111.2
-6.9 CYS A 35 9 N - CA - CB 103.6 110.5
-7.8 CYS A 45 9 N - CA - CB 102.7 110.5
-7.7 CYS A 103 9 N - CA - CB 102.8 110.5
-7.2 CYS A 35 10 N - CA - CB 103.3 110.5
-8.0 CYS A 45 10 N - CA - CB 102.5 110.5
-7.1 CYS A 103 10 N - CA - CB 103.4 110.5
-6.8 CYS A 35 11 N - CA - CB 103.7 110.5
-8.1 CYS A 45 11 N - CA - CB 102.4 110.5
-7.5 CYS A 103 11 N - CA - CB 103.0 110.5
-7.5 CYS A 35 12 N - CA - CB 103.0 110.5
-8.0 CYS A 45 12 N - CA - CB 102.5 110.5
-7.9 CYS A 103 12 N - CA - CB 102.6 110.5
-7.4 CYS A 35 13 N - CA - CB 103.1 110.5
-8.0 CYS A 45 13 N - CA - CB 102.5 110.5
-7.2 CYS A 103 13 N - CA - CB 103.3 110.5
-7.4 CYS A 35 14 N - CA - CB 103.1 110.5
-8.0 CYS A 45 14 N - CA - CB 102.5 110.5
-7.4 CYS A 103 14 N - CA - CB 103.1 110.5
-7.1 CYS A 35 15 N - CA - CB 103.4 110.5
-8.2 CYS A 45 15 N - CA - CB 102.3 110.5
-7.2 ASN A 84 15 N - CA - C 104.0 111.2
-6.8 CYS A 103 15 N - CA - CB 103.7 110.5
-6.9 CYS A 35 16 N - CA - CB 103.6 110.5
-8.0 CYS A 45 16 N - CA - CB 102.5 110.5
-8.1 CYS A 103 16 N - CA - CB 102.4 110.5
-7.1 CYS A 35 17 N - CA - CB 103.4 110.5
-8.1 CYS A 45 17 N - CA - CB 102.4 110.5
-7.6 CYS A 103 17 N - CA - CB 102.9 110.5
-7.2 CYS A 35 18 N - CA - CB 103.3 110.5
-8.1 CYS A 45 18 N - CA - CB 102.4 110.5
-7.6 CYS A 103 18 N - CA - CB 102.9 110.5
-7.6 CYS A 35 19 N - CA - CB 102.9 110.5
-8.0 CYS A 45 19 N - CA - CB 102.5 110.5
-7.7 CYS A 103 19 N - CA - CB 102.8 110.5
-7.2 CYS A 35 20 N - CA - CB 103.3 110.5
-8.1 CYS A 45 20 N - CA - CB 102.4 110.5
-7.5 CYS A 103 20 N - CA - CB 103.0 110.5
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 8 1HE2
1 A GLN 8 2HE2
1 A ASN 18 1HD2
1 A ASN 18 2HD2
1 A ASN 26 1HD2
1 A ASN 26 2HD2
1 A GLN 27 1HE2
1 A GLN 27 2HE2
1 A GLN 30 1HE2
1 A GLN 30 2HE2
1 A ASN 43 1HD2
1 A ASN 43 2HD2
1 A GLN 59 1HE2
1 A GLN 59 2HE2
1 A GLN 69 1HE2
1 A GLN 69 2HE2
1 A GLN 72 1HE2
1 A GLN 72 2HE2
1 A GLN 82 1HE2
1 A GLN 82 2HE2
1 A ASN 84 1HD2
1 A ASN 84 2HD2
1 A GLN 111 1HE2
1 A GLN 111 2HE2
1 A GLN 112 1HE2
1 A GLN 112 2HE2
1 A GLN 119 1HE2
1 A GLN 119 2HE2
1 A GLN 136 1HE2
1 A GLN 136 2HE2
1 A GLN 138 1HE2
1 A GLN 138 2HE2
1 A ASN 140 1HD2
1 A ASN 140 2HD2
1 A GLN 157 1HE2
1 A GLN 157 2HE2
1 A ASN 164 1HD2
1 A ASN 164 2HD2
1 A ASN 169 1HD2
1 A ASN 169 2HD2
1 A ASN 170 1HD2
1 A ASN 170 2HD2
1 A ASN 174 1HD2
1 A ASN 174 2HD2
1 A GLN 182 1HE2
1 A GLN 182 2HE2
1 A GLN 189 1HE2
1 A GLN 189 2HE2
1 A GLN 193 1HE2
1 A GLN 193 2HE2
2 A GLN 8 1HE2
2 A GLN 8 2HE2
2 A ASN 18 1HD2
2 A ASN 18 2HD2
2 A ASN 26 1HD2
2 A ASN 26 2HD2
2 A GLN 27 1HE2
2 A GLN 27 2HE2
2 A GLN 30 1HE2
2 A GLN 30 2HE2
2 A ASN 43 1HD2
2 A ASN 43 2HD2
2 A GLN 59 1HE2
2 A GLN 59 2HE2
2 A GLN 69 1HE2
2 A GLN 69 2HE2
2 A GLN 72 1HE2
2 A GLN 72 2HE2
2 A GLN 82 1HE2
2 A GLN 82 2HE2
2 A ASN 84 1HD2
2 A ASN 84 2HD2
2 A GLN 111 1HE2
2 A GLN 111 2HE2
2 A GLN 112 1HE2
2 A GLN 112 2HE2
2 A GLN 119 1HE2
2 A GLN 119 2HE2
2 A GLN 136 1HE2
2 A GLN 136 2HE2
2 A GLN 138 1HE2
2 A GLN 138 2HE2
2 A ASN 140 1HD2
2 A ASN 140 2HD2
2 A GLN 157 1HE2
2 A GLN 157 2HE2
2 A ASN 164 1HD2
2 A ASN 164 2HD2
2 A ASN 169 1HD2
2 A ASN 169 2HD2
2 A ASN 170 1HD2
2 A ASN 170 2HD2
2 A ASN 174 1HD2
2 A ASN 174 2HD2
2 A GLN 182 1HE2
2 A GLN 182 2HE2
2 A GLN 189 1HE2
2 A GLN 189 2HE2
2 A GLN 193 1HE2
2 A GLN 193 2HE2
3 A GLN 8 1HE2
3 A GLN 8 2HE2
3 A ASN 18 1HD2
3 A ASN 18 2HD2
3 A ASN 26 1HD2
3 A ASN 26 2HD2
3 A GLN 27 1HE2
3 A GLN 27 2HE2
3 A GLN 30 1HE2
3 A GLN 30 2HE2
3 A ASN 43 1HD2
3 A ASN 43 2HD2
3 A GLN 59 1HE2
3 A GLN 59 2HE2
3 A GLN 69 1HE2
3 A GLN 69 2HE2
3 A GLN 72 1HE2
3 A GLN 72 2HE2
3 A GLN 82 1HE2
3 A GLN 82 2HE2
3 A ASN 84 1HD2
3 A ASN 84 2HD2
3 A GLN 111 1HE2
3 A GLN 111 2HE2
3 A GLN 112 1HE2
3 A GLN 112 2HE2
3 A GLN 119 1HE2
3 A GLN 119 2HE2
3 A GLN 136 1HE2
3 A GLN 136 2HE2
3 A GLN 138 1HE2
3 A GLN 138 2HE2
3 A ASN 140 1HD2
3 A ASN 140 2HD2
3 A GLN 157 1HE2
3 A GLN 157 2HE2
3 A ASN 164 1HD2
3 A ASN 164 2HD2
3 A ASN 169 1HD2
3 A ASN 169 2HD2
3 A ASN 170 1HD2
3 A ASN 170 2HD2
3 A ASN 174 1HD2
3 A ASN 174 2HD2
3 A GLN 182 1HE2
3 A GLN 182 2HE2
3 A GLN 189 1HE2
3 A GLN 189 2HE2
3 A GLN 193 1HE2
3 A GLN 193 2HE2
4 A GLN 8 1HE2
4 A GLN 8 2HE2
4 A ASN 18 1HD2
4 A ASN 18 2HD2
4 A ASN 26 1HD2
4 A ASN 26 2HD2
4 A GLN 27 1HE2
4 A GLN 27 2HE2
4 A GLN 30 1HE2
4 A GLN 30 2HE2
4 A ASN 43 1HD2
4 A ASN 43 2HD2
4 A GLN 59 1HE2
4 A GLN 59 2HE2
4 A GLN 69 1HE2
4 A GLN 69 2HE2
4 A GLN 72 1HE2
4 A GLN 72 2HE2
4 A GLN 82 1HE2
4 A GLN 82 2HE2
4 A ASN 84 1HD2
4 A ASN 84 2HD2
4 A GLN 111 1HE2
4 A GLN 111 2HE2
4 A GLN 112 1HE2
4 A GLN 112 2HE2
4 A GLN 119 1HE2
4 A GLN 119 2HE2
4 A GLN 136 1HE2
4 A GLN 136 2HE2
4 A GLN 138 1HE2
4 A GLN 138 2HE2
4 A ASN 140 1HD2
4 A ASN 140 2HD2
4 A GLN 157 1HE2
4 A GLN 157 2HE2
4 A ASN 164 1HD2
4 A ASN 164 2HD2
4 A ASN 169 1HD2
4 A ASN 169 2HD2
4 A ASN 170 1HD2
4 A ASN 170 2HD2
4 A ASN 174 1HD2
4 A ASN 174 2HD2
4 A GLN 182 1HE2
4 A GLN 182 2HE2
4 A GLN 189 1HE2
4 A GLN 189 2HE2
4 A GLN 193 1HE2
4 A GLN 193 2HE2
5 A GLN 8 1HE2
5 A GLN 8 2HE2
5 A ASN 18 1HD2
5 A ASN 18 2HD2
5 A ASN 26 1HD2
5 A ASN 26 2HD2
5 A GLN 27 1HE2
5 A GLN 27 2HE2
5 A GLN 30 1HE2
5 A GLN 30 2HE2
5 A ASN 43 1HD2
5 A ASN 43 2HD2
5 A GLN 59 1HE2
5 A GLN 59 2HE2
5 A GLN 69 1HE2
5 A GLN 69 2HE2
5 A GLN 72 1HE2
5 A GLN 72 2HE2
5 A GLN 82 1HE2
5 A GLN 82 2HE2
5 A ASN 84 1HD2
5 A ASN 84 2HD2
5 A GLN 111 1HE2
5 A GLN 111 2HE2
5 A GLN 112 1HE2
5 A GLN 112 2HE2
5 A GLN 119 1HE2
5 A GLN 119 2HE2
5 A GLN 136 1HE2
5 A GLN 136 2HE2
5 A GLN 138 1HE2
5 A GLN 138 2HE2
5 A ASN 140 1HD2
5 A ASN 140 2HD2
5 A GLN 157 1HE2
5 A GLN 157 2HE2
5 A ASN 164 1HD2
5 A ASN 164 2HD2
5 A ASN 169 1HD2
5 A ASN 169 2HD2
5 A ASN 170 1HD2
5 A ASN 170 2HD2
5 A ASN 174 1HD2
5 A ASN 174 2HD2
5 A GLN 182 1HE2
5 A GLN 182 2HE2
5 A GLN 189 1HE2
5 A GLN 189 2HE2
5 A GLN 193 1HE2
5 A GLN 193 2HE2
6 A GLN 8 1HE2
6 A GLN 8 2HE2
6 A ASN 18 1HD2
6 A ASN 18 2HD2
6 A ASN 26 1HD2
6 A ASN 26 2HD2
6 A GLN 27 1HE2
6 A GLN 27 2HE2
6 A GLN 30 1HE2
6 A GLN 30 2HE2
6 A ASN 43 1HD2
6 A ASN 43 2HD2
6 A GLN 59 1HE2
6 A GLN 59 2HE2
6 A GLN 69 1HE2
6 A GLN 69 2HE2
6 A GLN 72 1HE2
6 A GLN 72 2HE2
6 A GLN 82 1HE2
6 A GLN 82 2HE2
6 A ASN 84 1HD2
6 A ASN 84 2HD2
6 A GLN 111 1HE2
6 A GLN 111 2HE2
6 A GLN 112 1HE2
6 A GLN 112 2HE2
6 A GLN 119 1HE2
6 A GLN 119 2HE2
6 A GLN 136 1HE2
6 A GLN 136 2HE2
6 A GLN 138 1HE2
6 A GLN 138 2HE2
6 A ASN 140 1HD2
6 A ASN 140 2HD2
6 A GLN 157 1HE2
6 A GLN 157 2HE2
6 A ASN 164 1HD2
6 A ASN 164 2HD2
6 A ASN 169 1HD2
6 A ASN 169 2HD2
6 A ASN 170 1HD2
6 A ASN 170 2HD2
6 A ASN 174 1HD2
6 A ASN 174 2HD2
6 A GLN 182 1HE2
6 A GLN 182 2HE2
6 A GLN 189 1HE2
6 A GLN 189 2HE2
6 A GLN 193 1HE2
6 A GLN 193 2HE2
7 A GLN 8 1HE2
7 A GLN 8 2HE2
7 A ASN 18 1HD2
7 A ASN 18 2HD2
7 A ASN 26 1HD2
7 A ASN 26 2HD2
7 A GLN 27 1HE2
7 A GLN 27 2HE2
7 A GLN 30 1HE2
7 A GLN 30 2HE2
7 A ASN 43 1HD2
7 A ASN 43 2HD2
7 A GLN 59 1HE2
7 A GLN 59 2HE2
7 A GLN 69 1HE2
7 A GLN 69 2HE2
7 A GLN 72 1HE2
7 A GLN 72 2HE2
7 A GLN 82 1HE2
7 A GLN 82 2HE2
7 A ASN 84 1HD2
7 A ASN 84 2HD2
7 A GLN 111 1HE2
7 A GLN 111 2HE2
7 A GLN 112 1HE2
7 A GLN 112 2HE2
7 A GLN 119 1HE2
7 A GLN 119 2HE2
7 A GLN 136 1HE2
7 A GLN 136 2HE2
7 A GLN 138 1HE2
7 A GLN 138 2HE2
7 A ASN 140 1HD2
7 A ASN 140 2HD2
7 A GLN 157 1HE2
7 A GLN 157 2HE2
7 A ASN 164 1HD2
7 A ASN 164 2HD2
7 A ASN 169 1HD2
7 A ASN 169 2HD2
7 A ASN 170 1HD2
7 A ASN 170 2HD2
7 A ASN 174 1HD2
7 A ASN 174 2HD2
7 A GLN 182 1HE2
7 A GLN 182 2HE2
7 A GLN 189 1HE2
7 A GLN 189 2HE2
7 A GLN 193 1HE2
7 A GLN 193 2HE2
8 A GLN 8 1HE2
8 A GLN 8 2HE2
8 A ASN 18 1HD2
8 A ASN 18 2HD2
8 A ASN 26 1HD2
8 A ASN 26 2HD2
8 A GLN 27 1HE2
8 A GLN 27 2HE2
8 A GLN 30 1HE2
8 A GLN 30 2HE2
8 A ASN 43 1HD2
8 A ASN 43 2HD2
8 A GLN 59 1HE2
8 A GLN 59 2HE2
8 A GLN 69 1HE2
8 A GLN 69 2HE2
8 A GLN 72 1HE2
8 A GLN 72 2HE2
8 A GLN 82 1HE2
8 A GLN 82 2HE2
8 A ASN 84 1HD2
8 A ASN 84 2HD2
8 A GLN 111 1HE2
8 A GLN 111 2HE2
8 A GLN 112 1HE2
8 A GLN 112 2HE2
8 A GLN 119 1HE2
8 A GLN 119 2HE2
8 A GLN 136 1HE2
8 A GLN 136 2HE2
8 A GLN 138 1HE2
8 A GLN 138 2HE2
8 A ASN 140 1HD2
8 A ASN 140 2HD2
8 A GLN 157 1HE2
8 A GLN 157 2HE2
8 A ASN 164 1HD2
8 A ASN 164 2HD2
8 A ASN 169 1HD2
8 A ASN 169 2HD2
8 A ASN 170 1HD2
8 A ASN 170 2HD2
8 A ASN 174 1HD2
8 A ASN 174 2HD2
8 A GLN 182 1HE2
8 A GLN 182 2HE2
8 A GLN 189 1HE2
8 A GLN 189 2HE2
8 A GLN 193 1HE2
8 A GLN 193 2HE2
9 A GLN 8 1HE2
9 A GLN 8 2HE2
9 A ASN 18 1HD2
9 A ASN 18 2HD2
9 A ASN 26 1HD2
9 A ASN 26 2HD2
9 A GLN 27 1HE2
9 A GLN 27 2HE2
9 A GLN 30 1HE2
9 A GLN 30 2HE2
9 A ASN 43 1HD2
9 A ASN 43 2HD2
9 A GLN 59 1HE2
9 A GLN 59 2HE2
9 A GLN 69 1HE2
9 A GLN 69 2HE2
9 A GLN 72 1HE2
9 A GLN 72 2HE2
9 A GLN 82 1HE2
9 A GLN 82 2HE2
9 A ASN 84 1HD2
9 A ASN 84 2HD2
9 A GLN 111 1HE2
9 A GLN 111 2HE2
9 A GLN 112 1HE2
9 A GLN 112 2HE2
9 A GLN 119 1HE2
9 A GLN 119 2HE2
9 A GLN 136 1HE2
9 A GLN 136 2HE2
9 A GLN 138 1HE2
9 A GLN 138 2HE2
9 A ASN 140 1HD2
9 A ASN 140 2HD2
9 A GLN 157 1HE2
9 A GLN 157 2HE2
9 A ASN 164 1HD2
9 A ASN 164 2HD2
9 A ASN 169 1HD2
9 A ASN 169 2HD2
9 A ASN 170 1HD2
9 A ASN 170 2HD2
9 A ASN 174 1HD2
9 A ASN 174 2HD2
9 A GLN 182 1HE2
9 A GLN 182 2HE2
9 A GLN 189 1HE2
9 A GLN 189 2HE2
9 A GLN 193 1HE2
9 A GLN 193 2HE2
10 A GLN 8 1HE2
10 A GLN 8 2HE2
10 A ASN 18 1HD2
10 A ASN 18 2HD2
10 A ASN 26 1HD2
10 A ASN 26 2HD2
10 A GLN 27 1HE2
10 A GLN 27 2HE2
10 A GLN 30 1HE2
10 A GLN 30 2HE2
10 A ASN 43 1HD2
10 A ASN 43 2HD2
10 A GLN 59 1HE2
10 A GLN 59 2HE2
10 A GLN 69 1HE2
10 A GLN 69 2HE2
10 A GLN 72 1HE2
10 A GLN 72 2HE2
10 A GLN 82 1HE2
10 A GLN 82 2HE2
10 A ASN 84 1HD2
10 A ASN 84 2HD2
10 A GLN 111 1HE2
10 A GLN 111 2HE2
10 A GLN 112 1HE2
10 A GLN 112 2HE2
10 A GLN 119 1HE2
10 A GLN 119 2HE2
10 A GLN 136 1HE2
10 A GLN 136 2HE2
10 A GLN 138 1HE2
10 A GLN 138 2HE2
10 A ASN 140 1HD2
10 A ASN 140 2HD2
10 A GLN 157 1HE2
10 A GLN 157 2HE2
10 A ASN 164 1HD2
10 A ASN 164 2HD2
10 A ASN 169 1HD2
10 A ASN 169 2HD2
10 A ASN 170 1HD2
10 A ASN 170 2HD2
10 A ASN 174 1HD2
10 A ASN 174 2HD2
10 A GLN 182 1HE2
10 A GLN 182 2HE2
10 A GLN 189 1HE2
10 A GLN 189 2HE2
10 A GLN 193 1HE2
10 A GLN 193 2HE2
11 A GLN 8 1HE2
11 A GLN 8 2HE2
11 A ASN 18 1HD2
11 A ASN 18 2HD2
11 A ASN 26 1HD2
11 A ASN 26 2HD2
11 A GLN 27 1HE2
11 A GLN 27 2HE2
11 A GLN 30 1HE2
11 A GLN 30 2HE2
11 A ASN 43 1HD2
11 A ASN 43 2HD2
11 A GLN 59 1HE2
11 A GLN 59 2HE2
11 A GLN 69 1HE2
11 A GLN 69 2HE2
11 A GLN 72 1HE2
11 A GLN 72 2HE2
11 A GLN 82 1HE2
11 A GLN 82 2HE2
11 A ASN 84 1HD2
11 A ASN 84 2HD2
11 A GLN 111 1HE2
11 A GLN 111 2HE2
11 A GLN 112 1HE2
11 A GLN 112 2HE2
11 A GLN 119 1HE2
11 A GLN 119 2HE2
11 A GLN 136 1HE2
11 A GLN 136 2HE2
11 A GLN 138 1HE2
11 A GLN 138 2HE2
11 A ASN 140 1HD2
11 A ASN 140 2HD2
11 A GLN 157 1HE2
11 A GLN 157 2HE2
11 A ASN 164 1HD2
11 A ASN 164 2HD2
11 A ASN 169 1HD2
11 A ASN 169 2HD2
11 A ASN 170 1HD2
11 A ASN 170 2HD2
11 A ASN 174 1HD2
11 A ASN 174 2HD2
11 A GLN 182 1HE2
11 A GLN 182 2HE2
11 A GLN 189 1HE2
11 A GLN 189 2HE2
11 A GLN 193 1HE2
11 A GLN 193 2HE2
12 A GLN 8 1HE2
12 A GLN 8 2HE2
12 A ASN 18 1HD2
12 A ASN 18 2HD2
12 A ASN 26 1HD2
12 A ASN 26 2HD2
12 A GLN 27 1HE2
12 A GLN 27 2HE2
12 A GLN 30 1HE2
12 A GLN 30 2HE2
12 A ASN 43 1HD2
12 A ASN 43 2HD2
12 A GLN 59 1HE2
12 A GLN 59 2HE2
12 A GLN 69 1HE2
12 A GLN 69 2HE2
12 A GLN 72 1HE2
12 A GLN 72 2HE2
12 A GLN 82 1HE2
12 A GLN 82 2HE2
12 A ASN 84 1HD2
12 A ASN 84 2HD2
12 A GLN 111 1HE2
12 A GLN 111 2HE2
12 A GLN 112 1HE2
12 A GLN 112 2HE2
12 A GLN 119 1HE2
12 A GLN 119 2HE2
12 A GLN 136 1HE2
12 A GLN 136 2HE2
12 A GLN 138 1HE2
12 A GLN 138 2HE2
12 A ASN 140 1HD2
12 A ASN 140 2HD2
12 A GLN 157 1HE2
12 A GLN 157 2HE2
12 A ASN 164 1HD2
12 A ASN 164 2HD2
12 A ASN 169 1HD2
12 A ASN 169 2HD2
12 A ASN 170 1HD2
12 A ASN 170 2HD2
12 A ASN 174 1HD2
12 A ASN 174 2HD2
12 A GLN 182 1HE2
12 A GLN 182 2HE2
12 A GLN 189 1HE2
12 A GLN 189 2HE2
12 A GLN 193 1HE2
12 A GLN 193 2HE2
13 A GLN 8 1HE2
13 A GLN 8 2HE2
13 A ASN 18 1HD2
13 A ASN 18 2HD2
13 A ASN 26 1HD2
13 A ASN 26 2HD2
13 A GLN 27 1HE2
13 A GLN 27 2HE2
13 A GLN 30 1HE2
13 A GLN 30 2HE2
13 A ASN 43 1HD2
13 A ASN 43 2HD2
13 A GLN 59 1HE2
13 A GLN 59 2HE2
13 A GLN 69 1HE2
13 A GLN 69 2HE2
13 A GLN 72 1HE2
13 A GLN 72 2HE2
13 A GLN 82 1HE2
13 A GLN 82 2HE2
13 A ASN 84 1HD2
13 A ASN 84 2HD2
13 A GLN 111 1HE2
13 A GLN 111 2HE2
13 A GLN 112 1HE2
13 A GLN 112 2HE2
13 A GLN 119 1HE2
13 A GLN 119 2HE2
13 A GLN 136 1HE2
13 A GLN 136 2HE2
13 A GLN 138 1HE2
13 A GLN 138 2HE2
13 A ASN 140 1HD2
13 A ASN 140 2HD2
13 A GLN 157 1HE2
13 A GLN 157 2HE2
13 A ASN 164 1HD2
13 A ASN 164 2HD2
13 A ASN 169 1HD2
13 A ASN 169 2HD2
13 A ASN 170 1HD2
13 A ASN 170 2HD2
13 A ASN 174 1HD2
13 A ASN 174 2HD2
13 A GLN 182 1HE2
13 A GLN 182 2HE2
13 A GLN 189 1HE2
13 A GLN 189 2HE2
13 A GLN 193 1HE2
13 A GLN 193 2HE2
14 A GLN 8 1HE2
14 A GLN 8 2HE2
14 A ASN 18 1HD2
14 A ASN 18 2HD2
14 A ASN 26 1HD2
14 A ASN 26 2HD2
14 A GLN 27 1HE2
14 A GLN 27 2HE2
14 A GLN 30 1HE2
14 A GLN 30 2HE2
14 A ASN 43 1HD2
14 A ASN 43 2HD2
14 A GLN 59 1HE2
14 A GLN 59 2HE2
14 A GLN 69 1HE2
14 A GLN 69 2HE2
14 A GLN 72 1HE2
14 A GLN 72 2HE2
14 A GLN 82 1HE2
14 A GLN 82 2HE2
14 A ASN 84 1HD2
14 A ASN 84 2HD2
14 A GLN 111 1HE2
14 A GLN 111 2HE2
14 A GLN 112 1HE2
14 A GLN 112 2HE2
14 A GLN 119 1HE2
14 A GLN 119 2HE2
14 A GLN 136 1HE2
14 A GLN 136 2HE2
14 A GLN 138 1HE2
14 A GLN 138 2HE2
14 A ASN 140 1HD2
14 A ASN 140 2HD2
14 A GLN 157 1HE2
14 A GLN 157 2HE2
14 A ASN 164 1HD2
14 A ASN 164 2HD2
14 A ASN 169 1HD2
14 A ASN 169 2HD2
14 A ASN 170 1HD2
14 A ASN 170 2HD2
14 A ASN 174 1HD2
14 A ASN 174 2HD2
14 A GLN 182 1HE2
14 A GLN 182 2HE2
14 A GLN 189 1HE2
14 A GLN 189 2HE2
14 A GLN 193 1HE2
14 A GLN 193 2HE2
15 A GLN 8 1HE2
15 A GLN 8 2HE2
15 A ASN 18 1HD2
15 A ASN 18 2HD2
15 A ASN 26 1HD2
15 A ASN 26 2HD2
15 A GLN 27 1HE2
15 A GLN 27 2HE2
15 A GLN 30 1HE2
15 A GLN 30 2HE2
15 A ASN 43 1HD2
15 A ASN 43 2HD2
15 A GLN 59 1HE2
15 A GLN 59 2HE2
15 A GLN 69 1HE2
15 A GLN 69 2HE2
15 A GLN 72 1HE2
15 A GLN 72 2HE2
15 A GLN 82 1HE2
15 A GLN 82 2HE2
15 A ASN 84 1HD2
15 A ASN 84 2HD2
15 A GLN 111 1HE2
15 A GLN 111 2HE2
15 A GLN 112 1HE2
15 A GLN 112 2HE2
15 A GLN 119 1HE2
15 A GLN 119 2HE2
15 A GLN 136 1HE2
15 A GLN 136 2HE2
15 A GLN 138 1HE2
15 A GLN 138 2HE2
15 A ASN 140 1HD2
15 A ASN 140 2HD2
15 A GLN 157 1HE2
15 A GLN 157 2HE2
15 A ASN 164 1HD2
15 A ASN 164 2HD2
15 A ASN 169 1HD2
15 A ASN 169 2HD2
15 A ASN 170 1HD2
15 A ASN 170 2HD2
15 A ASN 174 1HD2
15 A ASN 174 2HD2
15 A GLN 182 1HE2
15 A GLN 182 2HE2
15 A GLN 189 1HE2
15 A GLN 189 2HE2
15 A GLN 193 1HE2
15 A GLN 193 2HE2
16 A GLN 8 1HE2
16 A GLN 8 2HE2
16 A ASN 18 1HD2
16 A ASN 18 2HD2
16 A ASN 26 1HD2
16 A ASN 26 2HD2
16 A GLN 27 1HE2
16 A GLN 27 2HE2
16 A GLN 30 1HE2
16 A GLN 30 2HE2
16 A ASN 43 1HD2
16 A ASN 43 2HD2
16 A GLN 59 1HE2
16 A GLN 59 2HE2
16 A GLN 69 1HE2
16 A GLN 69 2HE2
16 A GLN 72 1HE2
16 A GLN 72 2HE2
16 A GLN 82 1HE2
16 A GLN 82 2HE2
16 A ASN 84 1HD2
16 A ASN 84 2HD2
16 A GLN 111 1HE2
16 A GLN 111 2HE2
16 A GLN 112 1HE2
16 A GLN 112 2HE2
16 A GLN 119 1HE2
16 A GLN 119 2HE2
16 A GLN 136 1HE2
16 A GLN 136 2HE2
16 A GLN 138 1HE2
16 A GLN 138 2HE2
16 A ASN 140 1HD2
16 A ASN 140 2HD2
16 A GLN 157 1HE2
16 A GLN 157 2HE2
16 A ASN 164 1HD2
16 A ASN 164 2HD2
16 A ASN 169 1HD2
16 A ASN 169 2HD2
16 A ASN 170 1HD2
16 A ASN 170 2HD2
16 A ASN 174 1HD2
16 A ASN 174 2HD2
16 A GLN 182 1HE2
16 A GLN 182 2HE2
16 A GLN 189 1HE2
16 A GLN 189 2HE2
16 A GLN 193 1HE2
16 A GLN 193 2HE2
17 A GLN 8 1HE2
17 A GLN 8 2HE2
17 A ASN 18 1HD2
17 A ASN 18 2HD2
17 A ASN 26 1HD2
17 A ASN 26 2HD2
17 A GLN 27 1HE2
17 A GLN 27 2HE2
17 A GLN 30 1HE2
17 A GLN 30 2HE2
17 A ASN 43 1HD2
17 A ASN 43 2HD2
17 A GLN 59 1HE2
17 A GLN 59 2HE2
17 A GLN 69 1HE2
17 A GLN 69 2HE2
17 A GLN 72 1HE2
17 A GLN 72 2HE2
17 A GLN 82 1HE2
17 A GLN 82 2HE2
17 A ASN 84 1HD2
17 A ASN 84 2HD2
17 A GLN 111 1HE2
17 A GLN 111 2HE2
17 A GLN 112 1HE2
17 A GLN 112 2HE2
17 A GLN 119 1HE2
17 A GLN 119 2HE2
17 A GLN 136 1HE2
17 A GLN 136 2HE2
17 A GLN 138 1HE2
17 A GLN 138 2HE2
17 A ASN 140 1HD2
17 A ASN 140 2HD2
17 A GLN 157 1HE2
17 A GLN 157 2HE2
17 A ASN 164 1HD2
17 A ASN 164 2HD2
17 A ASN 169 1HD2
17 A ASN 169 2HD2
17 A ASN 170 1HD2
17 A ASN 170 2HD2
17 A ASN 174 1HD2
17 A ASN 174 2HD2
17 A GLN 182 1HE2
17 A GLN 182 2HE2
17 A GLN 189 1HE2
17 A GLN 189 2HE2
17 A GLN 193 1HE2
17 A GLN 193 2HE2
18 A GLN 8 1HE2
18 A GLN 8 2HE2
18 A ASN 18 1HD2
18 A ASN 18 2HD2
18 A ASN 26 1HD2
18 A ASN 26 2HD2
18 A GLN 27 1HE2
18 A GLN 27 2HE2
18 A GLN 30 1HE2
18 A GLN 30 2HE2
18 A ASN 43 1HD2
18 A ASN 43 2HD2
18 A GLN 59 1HE2
18 A GLN 59 2HE2
18 A GLN 69 1HE2
18 A GLN 69 2HE2
18 A GLN 72 1HE2
18 A GLN 72 2HE2
18 A GLN 82 1HE2
18 A GLN 82 2HE2
18 A ASN 84 1HD2
18 A ASN 84 2HD2
18 A GLN 111 1HE2
18 A GLN 111 2HE2
18 A GLN 112 1HE2
18 A GLN 112 2HE2
18 A GLN 119 1HE2
18 A GLN 119 2HE2
18 A GLN 136 1HE2
18 A GLN 136 2HE2
18 A GLN 138 1HE2
18 A GLN 138 2HE2
18 A ASN 140 1HD2
18 A ASN 140 2HD2
18 A GLN 157 1HE2
18 A GLN 157 2HE2
18 A ASN 164 1HD2
18 A ASN 164 2HD2
18 A ASN 169 1HD2
18 A ASN 169 2HD2
18 A ASN 170 1HD2
18 A ASN 170 2HD2
18 A ASN 174 1HD2
18 A ASN 174 2HD2
18 A GLN 182 1HE2
18 A GLN 182 2HE2
18 A GLN 189 1HE2
18 A GLN 189 2HE2
18 A GLN 193 1HE2
18 A GLN 193 2HE2
19 A GLN 8 1HE2
19 A GLN 8 2HE2
19 A ASN 18 1HD2
19 A ASN 18 2HD2
19 A ASN 26 1HD2
19 A ASN 26 2HD2
19 A GLN 27 1HE2
19 A GLN 27 2HE2
19 A GLN 30 1HE2
19 A GLN 30 2HE2
19 A ASN 43 1HD2
19 A ASN 43 2HD2
19 A GLN 59 1HE2
19 A GLN 59 2HE2
19 A GLN 69 1HE2
19 A GLN 69 2HE2
19 A GLN 72 1HE2
19 A GLN 72 2HE2
19 A GLN 82 1HE2
19 A GLN 82 2HE2
19 A ASN 84 1HD2
19 A ASN 84 2HD2
19 A GLN 111 1HE2
19 A GLN 111 2HE2
19 A GLN 112 1HE2
19 A GLN 112 2HE2
19 A GLN 119 1HE2
19 A GLN 119 2HE2
19 A GLN 136 1HE2
19 A GLN 136 2HE2
19 A GLN 138 1HE2
19 A GLN 138 2HE2
19 A ASN 140 1HD2
19 A ASN 140 2HD2
19 A GLN 157 1HE2
19 A GLN 157 2HE2
19 A ASN 164 1HD2
19 A ASN 164 2HD2
19 A ASN 169 1HD2
19 A ASN 169 2HD2
19 A ASN 170 1HD2
19 A ASN 170 2HD2
19 A ASN 174 1HD2
19 A ASN 174 2HD2
19 A GLN 182 1HE2
19 A GLN 182 2HE2
19 A GLN 189 1HE2
19 A GLN 189 2HE2
19 A GLN 193 1HE2
19 A GLN 193 2HE2
20 A GLN 8 1HE2
20 A GLN 8 2HE2
20 A ASN 18 1HD2
20 A ASN 18 2HD2
20 A ASN 26 1HD2
20 A ASN 26 2HD2
20 A GLN 27 1HE2
20 A GLN 27 2HE2
20 A GLN 30 1HE2
20 A GLN 30 2HE2
20 A ASN 43 1HD2
20 A ASN 43 2HD2
20 A GLN 59 1HE2
20 A GLN 59 2HE2
20 A GLN 69 1HE2
20 A GLN 69 2HE2
20 A GLN 72 1HE2
20 A GLN 72 2HE2
20 A GLN 82 1HE2
20 A GLN 82 2HE2
20 A ASN 84 1HD2
20 A ASN 84 2HD2
20 A GLN 111 1HE2
20 A GLN 111 2HE2
20 A GLN 112 1HE2
20 A GLN 112 2HE2
20 A GLN 119 1HE2
20 A GLN 119 2HE2
20 A GLN 136 1HE2
20 A GLN 136 2HE2
20 A GLN 138 1HE2
20 A GLN 138 2HE2
20 A ASN 140 1HD2
20 A ASN 140 2HD2
20 A GLN 157 1HE2
20 A GLN 157 2HE2
20 A ASN 164 1HD2
20 A ASN 164 2HD2
20 A ASN 169 1HD2
20 A ASN 169 2HD2
20 A ASN 170 1HD2
20 A ASN 170 2HD2
20 A ASN 174 1HD2
20 A ASN 174 2HD2
20 A GLN 182 1HE2
20 A GLN 182 2HE2
20 A GLN 189 1HE2
20 A GLN 189 2HE2
20 A GLN 193 1HE2
20 A GLN 193 2HE2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 3) HD2
GLU( 1 A 4) HE2
GLU( 1 A 10) HE2
GLU( 1 A 16) HE2
ASP( 1 A 19) HD2
GLU( 1 A 38) HE2
GLU( 1 A 40) HE2
GLU( 1 A 53) HE2
ASP( 1 A 58) HD2
GLU( 1 A 73) HE2
ASP( 1 A 87) HD2
ASP( 1 A 89) HD2
ASP( 1 A 93) HD2
GLU( 1 A 96) HE2
HIS( 1 A 104) HD1
GLU( 1 A 130) HE2
GLU( 1 A 135) HE2
ASP( 1 A 146) HD2
ASP( 1 A 148) HD2
GLU( 1 A 154) HE2
GLU( 1 A 159) HE2
GLU( 1 A 172) HE2
ASP( 1 A 176) HD2
GLU( 1 A 177) HE2
HIS( 1 A 181) HD1
GLU( 1 A 196) HE2
HIS( 1 A 197) HE2
HIS( 1 A 198) HD1
HIS( 1 A 199) HE2
HIS( 1 A 200) HD1
HIS( 1 A 201) HD1
HIS( 1 A 202) HE2
ASP( 2 A 3) HD2
GLU( 2 A 4) HE2
GLU( 2 A 10) HE2
GLU( 2 A 16) HE2
ASP( 2 A 19) HD2
GLU( 2 A 38) HE2
GLU( 2 A 40) HE2
GLU( 2 A 53) HE2
ASP( 2 A 58) HD2
GLU( 2 A 73) HE2
ASP( 2 A 87) HD2
ASP( 2 A 89) HD2
ASP( 2 A 93) HD2
GLU( 2 A 96) HE2
HIS( 2 A 104) HD1
GLU( 2 A 130) HE2
GLU( 2 A 135) HE2
ASP( 2 A 146) HD2
ASP( 2 A 148) HD2
GLU( 2 A 154) HE2
GLU( 2 A 159) HE2
GLU( 2 A 172) HE2
ASP( 2 A 176) HD2
GLU( 2 A 177) HE2
HIS( 2 A 181) HD1
GLU( 2 A 196) HE2
HIS( 2 A 197) HE2
HIS( 2 A 198) HE2
HIS( 2 A 199) HD1
HIS( 2 A 200) HE2
HIS( 2 A 201) HD1
HIS( 2 A 202) HE2
ASP( 3 A 3) HD2
GLU( 3 A 4) HE2
GLU( 3 A 10) HE2
GLU( 3 A 16) HE2
ASP( 3 A 19) HD2
GLU( 3 A 38) HE2
GLU( 3 A 40) HE2
GLU( 3 A 53) HE2
ASP( 3 A 58) HD2
GLU( 3 A 73) HE2
ASP( 3 A 87) HD2
ASP( 3 A 89) HD2
ASP( 3 A 93) HD2
GLU( 3 A 96) HE2
HIS( 3 A 104) HD1
GLU( 3 A 130) HE2
GLU( 3 A 135) HE2
ASP( 3 A 146) HD2
ASP( 3 A 148) HD2
GLU( 3 A 154) HE2
GLU( 3 A 159) HE2
GLU( 3 A 172) HE2
ASP( 3 A 176) HD2
GLU( 3 A 177) HE2
HIS( 3 A 181) HD1
GLU( 3 A 196) HE2
HIS( 3 A 197) HD1
HIS( 3 A 198) HE2
HIS( 3 A 199) HD1
HIS( 3 A 200) HE2
HIS( 3 A 201) HE2
HIS( 3 A 202) HD1
ASP( 4 A 3) HD2
GLU( 4 A 4) HE2
GLU( 4 A 10) HE2
GLU( 4 A 16) HE2
ASP( 4 A 19) HD2
GLU( 4 A 38) HE2
GLU( 4 A 40) HE2
GLU( 4 A 53) HE2
ASP( 4 A 58) HD2
GLU( 4 A 73) HE2
ASP( 4 A 87) HD2
ASP( 4 A 89) HD2
ASP( 4 A 93) HD2
GLU( 4 A 96) HE2
HIS( 4 A 104) HD1
GLU( 4 A 130) HE2
GLU( 4 A 135) HE2
ASP( 4 A 146) HD2
ASP( 4 A 148) HD2
GLU( 4 A 154) HE2
GLU( 4 A 159) HE2
GLU( 4 A 172) HE2
ASP( 4 A 176) HD2
GLU( 4 A 177) HE2
HIS( 4 A 181) HD1
GLU( 4 A 196) HE2
HIS( 4 A 197) HE2
HIS( 4 A 198) HD1
HIS( 4 A 199) HE2
HIS( 4 A 200) HE2
HIS( 4 A 201) HE2
HIS( 4 A 202) HD1
ASP( 5 A 3) HD2
GLU( 5 A 4) HE2
GLU( 5 A 10) HE2
GLU( 5 A 16) HE2
ASP( 5 A 19) HD2
GLU( 5 A 38) HE2
GLU( 5 A 40) HE2
GLU( 5 A 53) HE2
ASP( 5 A 58) HD2
GLU( 5 A 73) HE2
ASP( 5 A 87) HD2
ASP( 5 A 89) HD2
ASP( 5 A 93) HD2
GLU( 5 A 96) HE2
HIS( 5 A 104) HD1
GLU( 5 A 130) HE2
GLU( 5 A 135) HE2
ASP( 5 A 146) HD2
ASP( 5 A 148) HD2
GLU( 5 A 154) HE2
GLU( 5 A 159) HE2
GLU( 5 A 172) HE2
ASP( 5 A 176) HD2
GLU( 5 A 177) HE2
HIS( 5 A 181) HD1
GLU( 5 A 196) HE2
HIS( 5 A 197) HD1
HIS( 5 A 198) HD1
HIS( 5 A 199) HE2
HIS( 5 A 200) HD1
HIS( 5 A 201) HE2
HIS( 5 A 202) HE2
ASP( 6 A 3) HD2
GLU( 6 A 4) HE2
GLU( 6 A 10) HE2
GLU( 6 A 16) HE2
ASP( 6 A 19) HD2
GLU( 6 A 38) HE2
GLU( 6 A 40) HE2
GLU( 6 A 53) HE2
ASP( 6 A 58) HD2
GLU( 6 A 73) HE2
ASP( 6 A 87) HD2
ASP( 6 A 89) HD2
ASP( 6 A 93) HD2
GLU( 6 A 96) HE2
HIS( 6 A 104) HD1
GLU( 6 A 130) HE2
GLU( 6 A 135) HE2
ASP( 6 A 146) HD2
ASP( 6 A 148) HD2
GLU( 6 A 154) HE2
GLU( 6 A 159) HE2
GLU( 6 A 172) HE2
ASP( 6 A 176) HD2
GLU( 6 A 177) HE2
HIS( 6 A 181) HD1
GLU( 6 A 196) HE2
HIS( 6 A 197) HE2
HIS( 6 A 198) HE2
HIS( 6 A 199) HE2
HIS( 6 A 200) HE2
HIS( 6 A 201) HD1
HIS( 6 A 202) HE2
ASP( 7 A 3) HD2
GLU( 7 A 4) HE2
GLU( 7 A 10) HE2
GLU( 7 A 16) HE2
ASP( 7 A 19) HD2
GLU( 7 A 38) HE2
GLU( 7 A 40) HE2
GLU( 7 A 53) HE2
ASP( 7 A 58) HD2
GLU( 7 A 73) HE2
ASP( 7 A 87) HD2
ASP( 7 A 89) HD2
ASP( 7 A 93) HD2
GLU( 7 A 96) HE2
HIS( 7 A 104) HD1
GLU( 7 A 130) HE2
GLU( 7 A 135) HE2
ASP( 7 A 146) HD2
ASP( 7 A 148) HD2
GLU( 7 A 154) HE2
GLU( 7 A 159) HE2
GLU( 7 A 172) HE2
ASP( 7 A 176) HD2
GLU( 7 A 177) HE2
HIS( 7 A 181) HD1
GLU( 7 A 196) HE2
HIS( 7 A 197) HD1
HIS( 7 A 198) HE2
HIS( 7 A 199) HD1
HIS( 7 A 200) HE2
HIS( 7 A 201) HD1
HIS( 7 A 202) HE2
ASP( 8 A 3) HD2
GLU( 8 A 4) HE2
GLU( 8 A 10) HE2
GLU( 8 A 16) HE2
ASP( 8 A 19) HD2
GLU( 8 A 38) HE2
GLU( 8 A 40) HE2
GLU( 8 A 53) HE2
ASP( 8 A 58) HD2
GLU( 8 A 73) HE2
ASP( 8 A 87) HD2
ASP( 8 A 89) HD2
ASP( 8 A 93) HD2
GLU( 8 A 96) HE2
HIS( 8 A 104) HD1
GLU( 8 A 130) HE2
GLU( 8 A 135) HE2
ASP( 8 A 146) HD2
ASP( 8 A 148) HD2
GLU( 8 A 154) HE2
GLU( 8 A 159) HE2
GLU( 8 A 172) HE2
ASP( 8 A 176) HD2
GLU( 8 A 177) HE2
HIS( 8 A 181) HD1
GLU( 8 A 196) HE2
HIS( 8 A 197) HD1
HIS( 8 A 198) HE2
HIS( 8 A 199) HE2
HIS( 8 A 200) HD1
HIS( 8 A 201) HD1
HIS( 8 A 202) HE2
ASP( 9 A 3) HD2
GLU( 9 A 4) HE2
GLU( 9 A 10) HE2
GLU( 9 A 16) HE2
ASP( 9 A 19) HD2
GLU( 9 A 38) HE2
GLU( 9 A 40) HE2
GLU( 9 A 53) HE2
ASP( 9 A 58) HD2
GLU( 9 A 73) HE2
ASP( 9 A 87) HD2
ASP( 9 A 89) HD2
ASP( 9 A 93) HD2
GLU( 9 A 96) HE2
HIS( 9 A 104) HD1
GLU( 9 A 130) HE2
GLU( 9 A 135) HE2
ASP( 9 A 146) HD2
ASP( 9 A 148) HD2
GLU( 9 A 154) HE2
GLU( 9 A 159) HE2
GLU( 9 A 172) HE2
ASP( 9 A 176) HD2
GLU( 9 A 177) HE2
HIS( 9 A 181) HD1
GLU( 9 A 196) HE2
HIS( 9 A 197) HE2
HIS( 9 A 198) HE2
HIS( 9 A 199) HD1
HIS( 9 A 200) HE2
HIS( 9 A 201) HD1
HIS( 9 A 202) HE2
ASP( 10 A 3) HD2
GLU( 10 A 4) HE2
GLU( 10 A 10) HE2
GLU( 10 A 16) HE2
ASP( 10 A 19) HD2
GLU( 10 A 38) HE2
GLU( 10 A 40) HE2
GLU( 10 A 53) HE2
ASP( 10 A 58) HD2
GLU( 10 A 73) HE2
ASP( 10 A 87) HD2
ASP( 10 A 89) HD2
ASP( 10 A 93) HD2
GLU( 10 A 96) HE2
HIS( 10 A 104) HD1
GLU( 10 A 130) HE2
GLU( 10 A 135) HE2
ASP( 10 A 146) HD2
ASP( 10 A 148) HD2
GLU( 10 A 154) HE2
GLU( 10 A 159) HE2
GLU( 10 A 172) HE2
ASP( 10 A 176) HD2
GLU( 10 A 177) HE2
HIS( 10 A 181) HD1
GLU( 10 A 196) HE2
HIS( 10 A 197) HE2
HIS( 10 A 198) HE2
HIS( 10 A 199) HD1
HIS( 10 A 200) HE2
HIS( 10 A 201) HE2
HIS( 10 A 202) HE2
ASP( 11 A 3) HD2
GLU( 11 A 4) HE2
GLU( 11 A 10) HE2
GLU( 11 A 16) HE2
ASP( 11 A 19) HD2
GLU( 11 A 38) HE2
GLU( 11 A 40) HE2
GLU( 11 A 53) HE2
ASP( 11 A 58) HD2
GLU( 11 A 73) HE2
ASP( 11 A 87) HD2
ASP( 11 A 89) HD2
ASP( 11 A 93) HD2
GLU( 11 A 96) HE2
HIS( 11 A 104) HD1
GLU( 11 A 130) HE2
GLU( 11 A 135) HE2
ASP( 11 A 146) HD2
ASP( 11 A 148) HD2
GLU( 11 A 154) HE2
GLU( 11 A 159) HE2
GLU( 11 A 172) HE2
ASP( 11 A 176) HD2
GLU( 11 A 177) HE2
HIS( 11 A 181) HD1
GLU( 11 A 196) HE2
HIS( 11 A 197) HE2
HIS( 11 A 198) HE2
HIS( 11 A 199) HD1
HIS( 11 A 200) HD1
HIS( 11 A 201) HE2
HIS( 11 A 202) HE2
ASP( 12 A 3) HD2
GLU( 12 A 4) HE2
GLU( 12 A 10) HE2
GLU( 12 A 16) HE2
ASP( 12 A 19) HD2
GLU( 12 A 38) HE2
GLU( 12 A 40) HE2
GLU( 12 A 53) HE2
ASP( 12 A 58) HD2
GLU( 12 A 73) HE2
ASP( 12 A 87) HD2
ASP( 12 A 89) HD2
ASP( 12 A 93) HD2
GLU( 12 A 96) HE2
HIS( 12 A 104) HD1
GLU( 12 A 130) HE2
GLU( 12 A 135) HE2
ASP( 12 A 146) HD2
ASP( 12 A 148) HD2
GLU( 12 A 154) HE2
GLU( 12 A 159) HE2
GLU( 12 A 172) HE2
ASP( 12 A 176) HD2
GLU( 12 A 177) HE2
HIS( 12 A 181) HD1
GLU( 12 A 196) HE2
HIS( 12 A 197) HE2
HIS( 12 A 198) HD1
HIS( 12 A 199) HD1
HIS( 12 A 200) HD1
HIS( 12 A 201) HE2
HIS( 12 A 202) HE2
ASP( 13 A 3) HD2
GLU( 13 A 4) HE2
GLU( 13 A 10) HE2
GLU( 13 A 16) HE2
ASP( 13 A 19) HD2
GLU( 13 A 38) HE2
GLU( 13 A 40) HE2
GLU( 13 A 53) HE2
ASP( 13 A 58) HD2
GLU( 13 A 73) HE2
ASP( 13 A 87) HD2
ASP( 13 A 89) HD2
ASP( 13 A 93) HD2
GLU( 13 A 96) HE2
HIS( 13 A 104) HD1
GLU( 13 A 130) HE2
GLU( 13 A 135) HE2
ASP( 13 A 146) HD2
ASP( 13 A 148) HD2
GLU( 13 A 154) HE2
GLU( 13 A 159) HE2
GLU( 13 A 172) HE2
ASP( 13 A 176) HD2
GLU( 13 A 177) HE2
HIS( 13 A 181) HD1
GLU( 13 A 196) HE2
HIS( 13 A 197) HD1
HIS( 13 A 198) HE2
HIS( 13 A 199) HE2
HIS( 13 A 200) HE2
HIS( 13 A 201) HD1
HIS( 13 A 202) HE2
ASP( 14 A 3) HD2
GLU( 14 A 4) HE2
GLU( 14 A 10) HE2
GLU( 14 A 16) HE2
ASP( 14 A 19) HD2
GLU( 14 A 38) HE2
GLU( 14 A 40) HE2
GLU( 14 A 53) HE2
ASP( 14 A 58) HD2
GLU( 14 A 73) HE2
ASP( 14 A 87) HD2
ASP( 14 A 89) HD2
ASP( 14 A 93) HD2
GLU( 14 A 96) HE2
HIS( 14 A 104) HD1
GLU( 14 A 130) HE2
GLU( 14 A 135) HE2
ASP( 14 A 146) HD2
ASP( 14 A 148) HD2
GLU( 14 A 154) HE2
GLU( 14 A 159) HE2
GLU( 14 A 172) HE2
ASP( 14 A 176) HD2
GLU( 14 A 177) HE2
HIS( 14 A 181) HD1
GLU( 14 A 196) HE2
HIS( 14 A 197) HE2
HIS( 14 A 198) HD1
HIS( 14 A 199) HE2
HIS( 14 A 200) HD1
HIS( 14 A 201) HE2
HIS( 14 A 202) HE2
ASP( 15 A 3) HD2
GLU( 15 A 4) HE2
GLU( 15 A 10) HE2
GLU( 15 A 16) HE2
ASP( 15 A 19) HD2
GLU( 15 A 38) HE2
GLU( 15 A 40) HE2
GLU( 15 A 53) HE2
ASP( 15 A 58) HD2
GLU( 15 A 73) HE2
ASP( 15 A 87) HD2
ASP( 15 A 89) HD2
ASP( 15 A 93) HD2
GLU( 15 A 96) HE2
HIS( 15 A 104) HD1
GLU( 15 A 130) HE2
GLU( 15 A 135) HE2
ASP( 15 A 146) HD2
ASP( 15 A 148) HD2
GLU( 15 A 154) HE2
GLU( 15 A 159) HE2
GLU( 15 A 172) HE2
ASP( 15 A 176) HD2
GLU( 15 A 177) HE2
HIS( 15 A 181) HD1
GLU( 15 A 196) HE2
HIS( 15 A 197) HD1
HIS( 15 A 198) HE2
HIS( 15 A 199) HE2
HIS( 15 A 200) HE2
HIS( 15 A 201) HD1
HIS( 15 A 202) HD1
ASP( 16 A 3) HD2
GLU( 16 A 4) HE2
GLU( 16 A 10) HE2
GLU( 16 A 16) HE2
ASP( 16 A 19) HD2
GLU( 16 A 38) HE2
GLU( 16 A 40) HE2
GLU( 16 A 53) HE2
ASP( 16 A 58) HD2
GLU( 16 A 73) HE2
ASP( 16 A 87) HD2
ASP( 16 A 89) HD2
ASP( 16 A 93) HD2
GLU( 16 A 96) HE2
HIS( 16 A 104) HD1
GLU( 16 A 130) HE2
GLU( 16 A 135) HE2
ASP( 16 A 146) HD2
ASP( 16 A 148) HD2
GLU( 16 A 154) HE2
GLU( 16 A 159) HE2
GLU( 16 A 172) HE2
ASP( 16 A 176) HD2
GLU( 16 A 177) HE2
HIS( 16 A 181) HD1
GLU( 16 A 196) HE2
HIS( 16 A 197) HE2
HIS( 16 A 198) HE2
HIS( 16 A 199) HE2
HIS( 16 A 200) HD1
HIS( 16 A 201) HD1
HIS( 16 A 202) HE2
ASP( 17 A 3) HD2
GLU( 17 A 4) HE2
GLU( 17 A 10) HE2
GLU( 17 A 16) HE2
ASP( 17 A 19) HD2
GLU( 17 A 38) HE2
GLU( 17 A 40) HE2
GLU( 17 A 53) HE2
ASP( 17 A 58) HD2
GLU( 17 A 73) HE2
ASP( 17 A 87) HD2
ASP( 17 A 89) HD2
ASP( 17 A 93) HD2
GLU( 17 A 96) HE2
HIS( 17 A 104) HD1
GLU( 17 A 130) HE2
GLU( 17 A 135) HE2
ASP( 17 A 146) HD2
ASP( 17 A 148) HD2
GLU( 17 A 154) HE2
GLU( 17 A 159) HE2
GLU( 17 A 172) HE2
ASP( 17 A 176) HD2
GLU( 17 A 177) HE2
HIS( 17 A 181) HD1
GLU( 17 A 196) HE2
HIS( 17 A 197) HD1
HIS( 17 A 198) HD1
HIS( 17 A 199) HD1
HIS( 17 A 200) HD1
HIS( 17 A 201) HD1
HIS( 17 A 202) HE2
ASP( 18 A 3) HD2
GLU( 18 A 4) HE2
GLU( 18 A 10) HE2
GLU( 18 A 16) HE2
ASP( 18 A 19) HD2
GLU( 18 A 38) HE2
GLU( 18 A 40) HE2
GLU( 18 A 53) HE2
ASP( 18 A 58) HD2
GLU( 18 A 73) HE2
ASP( 18 A 87) HD2
ASP( 18 A 89) HD2
ASP( 18 A 93) HD2
GLU( 18 A 96) HE2
HIS( 18 A 104) HD1
GLU( 18 A 130) HE2
GLU( 18 A 135) HE2
ASP( 18 A 146) HD2
ASP( 18 A 148) HD2
GLU( 18 A 154) HE2
GLU( 18 A 159) HE2
GLU( 18 A 172) HE2
ASP( 18 A 176) HD2
GLU( 18 A 177) HE2
HIS( 18 A 181) HD1
GLU( 18 A 196) HE2
HIS( 18 A 197) HE2
HIS( 18 A 198) HD1
HIS( 18 A 199) HE2
HIS( 18 A 200) HD1
HIS( 18 A 201) HD1
HIS( 18 A 202) HD1
ASP( 19 A 3) HD2
GLU( 19 A 4) HE2
GLU( 19 A 10) HE2
GLU( 19 A 16) HE2
ASP( 19 A 19) HD2
GLU( 19 A 38) HE2
GLU( 19 A 40) HE2
GLU( 19 A 53) HE2
ASP( 19 A 58) HD2
GLU( 19 A 73) HE2
ASP( 19 A 87) HD2
ASP( 19 A 89) HD2
ASP( 19 A 93) HD2
GLU( 19 A 96) HE2
HIS( 19 A 104) HD1
GLU( 19 A 130) HE2
GLU( 19 A 135) HE2
ASP( 19 A 146) HD2
ASP( 19 A 148) HD2
GLU( 19 A 154) HE2
GLU( 19 A 159) HE2
GLU( 19 A 172) HE2
ASP( 19 A 176) HD2
GLU( 19 A 177) HE2
HIS( 19 A 181) HD1
GLU( 19 A 196) HE2
HIS( 19 A 197) HE2
HIS( 19 A 198) HD1
HIS( 19 A 199) HE2
HIS( 19 A 200) HD1
HIS( 19 A 201) HD1
HIS( 19 A 202) HD1
ASP( 20 A 3) HD2
GLU( 20 A 4) HE2
GLU( 20 A 10) HE2
GLU( 20 A 16) HE2
ASP( 20 A 19) HD2
GLU( 20 A 38) HE2
GLU( 20 A 40) HE2
GLU( 20 A 53) HE2
ASP( 20 A 58) HD2
GLU( 20 A 73) HE2
ASP( 20 A 87) HD2
ASP( 20 A 89) HD2
ASP( 20 A 93) HD2
GLU( 20 A 96) HE2
HIS( 20 A 104) HD1
GLU( 20 A 130) HE2
GLU( 20 A 135) HE2
ASP( 20 A 146) HD2
ASP( 20 A 148) HD2
GLU( 20 A 154) HE2
GLU( 20 A 159) HE2
GLU( 20 A 172) HE2
ASP( 20 A 176) HD2
GLU( 20 A 177) HE2
HIS( 20 A 181) HD1
GLU( 20 A 196) HE2
HIS( 20 A 197) HD1
HIS( 20 A 198) HE2
HIS( 20 A 199) HE2
HIS( 20 A 200) HE2
HIS( 20 A 201) HD1
HIS( 20 A 202) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 202) O2
HIS( 2 A 202) O2
HIS( 3 A 202) O2
HIS( 4 A 202) O2
HIS( 5 A 202) O2
HIS( 6 A 202) O2
HIS( 7 A 202) O2
HIS( 8 A 202) O2
HIS( 9 A 202) O2
HIS( 10 A 202) O2
HIS( 11 A 202) O2
HIS( 12 A 202) O2
HIS( 13 A 202) O2
HIS( 14 A 202) O2
HIS( 15 A 202) O2
HIS( 16 A 202) O2
HIS( 17 A 202) O2
HIS( 18 A 202) O2
HIS( 19 A 202) O2
HIS( 20 A 202) O2
SGR145_R3Cons_em_bcr3.pdb: Missing KEYWDS records
SGR145_R3Cons_em_bcr3.pdb: Missing TITLE record