Detailed results of HR1958_NMR_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 893
# INTRA-RESIDUE RESTRAINTS (I=J) : 2
# SEQUENTIAL RESTRAINTS (I-J)=1 : 129
# BACKBONE-BACKBONE : 99
# BACKBONE-SIDE CHAIN : 6
# SIDE CHAIN-SIDE CHAIN : 24
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 121
# BACKBONE-BACKBONE : 21
# BACKBONE-SIDE CHAIN : 13
# SIDE CHAIN-SIDE CHAIN : 87
# LONG RANGE RESTRAINTS (I-J)>=5 : 641
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 893
# 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
ARG 2 0 2.5 0.0 0.0 2.5 0.0
LYS 3 0 2.5 0.0 0.0 2.5 0.0
ILE 4 0 7.5 1.0 2.5 4.0 0.0
ASP 5 0 5.0 1.5 2.0 1.5 0.0
LEU 6 0 17.0 0.5 2.5 14.0 0.0
CYS 7 0 7.0 0.0 0.5 6.5 0.0
LEU 8 0 12.0 0.5 7.5 4.0 0.0
SER 9 0 5.0 0.5 0.5 4.0 0.0
SER 10 0 2.5 0.0 2.5 0.0 0.0
GLU 11 0 8.0 0.5 6.5 1.0 0.0
GLY 12 0 1.5 1.0 0.5 0.0 0.0
SER 13 0 8.0 1.0 2.0 5.0 0.0
GLU 14 0 4.5 1.0 0.0 3.5 0.0
VAL 15 0 13.0 1.0 0.5 11.5 0.0
ILE 16 0 11.0 0.5 0.0 10.5 0.0
LEU 17 0 4.5 0.5 0.0 4.0 0.0
ALA 18 0 7.5 0.5 1.0 6.0 0.0
THR 19 0 1.5 0.0 0.0 1.5 0.0
SER 20 0 3.5 0.0 0.5 3.0 0.0
SER 21 0 1.5 0.0 0.0 1.5 0.0
ASP 22 0 2.5 0.5 0.5 1.5 0.0
GLU 23 0 1.5 1.0 0.5 0.0 0.0
LYS 24 0 1.0 1.0 0.0 0.0 0.0
HIS 25 0 2.0 0.5 0.5 1.0 0.0
PRO 26 0 1.5 0.0 1.0 0.5 0.0
PRO 27 0 10.5 0.0 2.5 8.0 0.0
GLU 28 0 2.0 0.5 1.5 0.0 0.0
ASN 29 0 1.5 1.0 0.5 0.0 0.0
ILE 30 0 13.0 1.0 2.5 9.5 0.0
ILE 31 0 12.5 1.0 1.0 10.5 0.0
ASP 32 0 2.5 1.0 0.5 1.0 0.0
GLY 33 0 2.0 1.0 0.0 1.0 0.0
ASN 34 0 0.5 0.5 0.0 0.0 0.0
PRO 35 0 0.0 0.0 0.0 0.0 0.0
GLU 36 0 0.0 0.0 0.0 0.0 0.0
THR 37 0 0.5 0.5 0.0 0.0 0.0
PHE 38 0 3.0 1.0 1.5 0.5 0.0
TRP 39 1 14.5 1.0 1.5 12.0 0.0
THR 40 0 6.5 1.0 1.5 4.0 0.0
THR 41 0 5.0 0.5 2.0 2.5 0.0
THR 42 0 2.0 0.5 0.0 1.5 0.0
GLY 43 0 1.5 1.0 0.5 0.0 0.0
MET 44 0 1.0 1.0 0.0 0.0 0.0
PHE 45 0 6.5 1.5 1.0 4.0 0.0
PRO 46 0 5.0 1.0 0.0 4.0 0.0
GLN 47 0 3.0 0.5 1.0 1.5 0.0
GLU 48 0 4.0 1.0 0.0 3.0 0.0
PHE 49 0 13.5 1.0 0.5 12.0 0.0
ILE 50 0 16.0 1.0 0.5 14.5 0.0
ILE 51 0 18.5 1.0 0.5 17.0 0.0
CYS 52 0 6.0 1.0 0.5 4.5 0.0
PHE 53 0 15.0 1.0 2.5 11.5 0.0
HIS 54 0 4.0 1.5 0.0 2.5 0.0
LYS 55 0 2.0 1.5 0.5 0.0 0.0
HIS 56 0 5.0 1.0 0.0 4.0 0.0
VAL 57 0 14.0 1.0 4.5 8.5 0.0
ARG 58 0 4.0 1.0 0.0 3.0 0.0
ILE 59 0 20.5 1.5 4.5 14.5 0.0
GLU 60 0 4.0 1.5 0.0 2.5 0.0
ARG 61 0 7.0 1.0 1.0 5.0 0.0
LEU 62 0 22.0 1.0 4.0 17.0 0.0
VAL 63 0 10.5 1.0 0.5 9.0 0.0
ILE 64 0 15.0 1.5 1.5 12.0 0.0
GLN 65 0 10.0 1.0 0.0 9.0 0.0
SER 66 0 0.0 0.0 0.0 0.0 0.0
TYR 67 0 5.0 0.5 0.0 4.5 0.0
PHE 68 0 5.5 0.5 0.0 5.0 0.0
VAL 69 0 7.0 0.5 1.0 5.5 0.0
GLN 70 0 4.5 1.0 0.0 3.5 0.0
THR 71 0 5.5 1.0 0.0 4.5 0.0
LEU 72 0 11.5 1.0 1.0 9.5 0.0
LYS 73 0 7.5 1.0 0.0 6.5 0.0
ILE 74 0 16.0 1.0 0.0 15.0 0.0
GLU 75 0 5.5 1.0 0.0 4.5 0.0
LYS 76 0 8.0 1.0 0.0 7.0 0.0
SER 77 0 6.0 1.0 1.0 4.0 0.0
THR 78 0 8.5 1.0 0.0 7.5 0.0
SER 79 0 5.5 0.5 3.5 1.5 0.0
LYS 80 0 1.5 0.0 0.0 1.5 0.0
GLU 81 0 5.5 0.5 4.5 0.5 0.0
PRO 82 0 8.0 2.0 0.5 5.5 0.0
VAL 83 0 7.0 3.0 4.0 0.0 0.0
ASP 84 0 2.5 1.5 0.0 1.0 0.0
PHE 85 0 5.0 1.0 0.5 3.5 0.0
GLU 86 0 3.5 1.0 0.0 2.5 0.0
GLN 87 0 1.5 0.5 0.0 1.0 0.0
TRP 88 1 15.5 4.0 0.0 11.5 0.0
ILE 89 0 14.5 4.0 0.5 10.0 0.0
GLU 90 0 2.5 1.0 0.0 1.5 0.0
LYS 91 0 4.5 1.0 0.5 3.0 0.0
ASP 92 0 3.0 1.0 0.0 2.0 0.0
LEU 93 0 3.0 1.0 0.0 2.0 0.0
VAL 94 0 3.5 1.0 0.0 2.5 0.0
HIS 95 0 1.5 1.5 0.0 0.0 0.0
THR 96 0 5.5 2.0 3.5 0.0 0.0
GLU 97 0 2.0 1.5 0.5 0.0 0.0
GLY 98 0 1.0 1.0 0.0 0.0 0.0
GLN 99 0 5.5 1.0 4.0 0.5 0.0
LEU 100 0 7.0 1.0 0.5 5.5 0.0
GLN 101 0 1.5 1.0 0.0 0.5 0.0
ASN 102 0 6.5 1.0 0.5 5.0 0.0
GLU 103 0 3.5 1.0 0.0 2.5 0.0
GLU 104 0 4.0 1.0 0.0 3.0 0.0
ILE 105 0 12.5 1.0 1.5 10.0 0.0
VAL 106 0 3.0 1.5 0.5 1.0 0.0
ALA 107 0 13.5 2.0 1.5 10.0 0.0
HIS 108 0 6.0 1.5 0.5 4.0 0.0
GLY 109 0 4.5 0.5 0.0 4.0 0.0
SER 110 0 4.0 0.5 0.0 3.5 0.0
ALA 111 0 8.0 1.0 1.5 5.5 0.0
THR 112 0 9.5 1.0 0.0 8.5 0.0
TYR 113 0 10.5 1.0 0.5 9.0 0.0
LEU 114 0 13.0 1.0 2.0 10.0 0.0
ARG 115 0 6.0 0.5 1.5 4.0 0.0
PHE 116 0 23.0 0.0 1.0 22.0 0.0
ILE 117 0 10.0 0.5 1.5 8.0 0.0
ILE 118 0 12.5 1.0 1.5 10.0 0.0
VAL 119 0 7.5 2.0 0.0 5.5 0.0
SER 120 0 4.0 2.0 0.5 1.5 0.0
ALA 121 0 7.5 0.5 2.5 4.5 0.0
PHE 122 0 7.5 0.5 0.0 7.0 0.0
ASP 123 0 3.5 0.5 2.5 0.5 0.0
HIS 124 0 1.0 1.0 0.0 0.0 0.0
PHE 125 0 3.0 1.0 2.0 0.0 0.0
ALA 126 0 6.0 0.5 0.0 5.5 0.0
SER 127 0 4.0 1.0 0.0 3.0 0.0
VAL 128 0 8.0 0.5 1.5 6.0 0.0
HIS 129 0 0.5 0.5 0.0 0.0 0.0
SER 130 0 5.5 1.5 1.5 2.5 0.0
VAL 131 0 9.0 1.5 0.0 7.5 0.0
SER 132 0 7.0 1.0 0.0 6.0 0.0
ALA 133 0 11.5 1.0 0.0 10.5 0.0
GLU 134 0 5.5 1.0 0.0 4.5 0.0
GLY 135 0 7.5 1.5 0.0 6.0 0.0
THR 136 0 9.0 1.0 0.0 8.0 0.0
VAL 137 0 4.5 0.5 0.5 3.5 0.0
VAL 138 0 5.5 1.0 0.0 4.5 0.0
SER 139 0 3.0 1.0 0.0 2.0 0.0
ASN 140 0 1.0 0.5 0.5 0.0 0.0
LEU 141 0 0.5 0.0 0.0 0.5 0.0
SER 142 0 0.0 0.0 0.0 0.0 0.0
SER 143 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 2 891.0 129.0 121.0 641.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 893.0
List of conformationally-resticting NOE constraints
assign ((resid 2 and name HA )) ( (resid 136 and name HB )) 1.80 0.00 3.20
assign ((resid 2 and name HA )) ( (resid 136 and name HG2# )) 1.80 0.00 4.20
assign ((resid 2 and name HB# )) ( (resid 136 and name HB )) 1.80 0.00 4.20
assign ((resid 2 and name HG# )) ( (resid 136 and name HG2# )) 1.80 0.00 5.20
assign ((resid 2 and name HN )) ( (resid 136 and name HG2# )) 1.80 0.00 4.20
assign ((resid 3 and name HA )) ( (resid 136 and name HG2# )) 1.80 0.00 4.20
assign ((resid 3 and name HB# )) ( (resid 135 and name HN )) 1.80 0.00 4.20
assign ((resid 3 and name HG# )) ( (resid 135 and name HN )) 1.80 0.00 4.20
assign ((resid 3 and name HN )) ( (resid 135 and name HN )) 1.80 0.00 3.20
assign ((resid 3 and name HN )) ( (resid 136 and name HG2# )) 1.80 0.00 4.20
assign ((resid 4 and name HA )) ( (resid 5 and name HN )) 1.80 0.00 1.10
assign ((resid 4 and name HB )) ( (resid 6 and name HD2# )) 1.80 0.00 4.20
assign ((resid 4 and name HD1# )) ( (resid 11 and name HG# )) 1.80 0.00 4.20
assign ((resid 4 and name HD1# )) ( (resid 136 and name HA )) 1.80 0.00 4.20
assign ((resid 4 and name HG2# )) ( (resid 11 and name HG# )) 1.80 0.00 5.20
assign ((resid 4 and name HG2# )) ( (resid 134 and name HA )) 1.80 0.00 4.20
assign ((resid 4 and name HG2# )) ( (resid 135 and name HN )) 1.80 0.00 4.20
assign ((resid 4 and name HG2# )) ( (resid 136 and name HA )) 1.80 0.00 4.20
assign ((resid 4 and name HG2# )) ( (resid 136 and name HG2# )) 1.80 0.00 4.20
assign ((resid 4 and name HG2# )) ( (resid 5 and name HA )) 1.80 0.00 4.20
assign ((resid 4 and name HG2# )) ( (resid 6 and name HA )) 1.80 0.00 4.20
assign ((resid 4 and name HG2# )) ( (resid 6 and name HD1# )) 1.80 0.00 5.20
assign ((resid 4 and name HG2# )) ( (resid 6 and name HD2# )) 1.80 0.00 5.20
assign ((resid 4 and name HG2# )) ( (resid 6 and name HG )) 1.80 0.00 4.20
assign ((resid 4 and name HN )) ( (resid 135 and name HN )) 1.80 0.00 3.20
assign ((resid 5 and name HA )) ( (resid 132 and name HB# )) 1.80 0.00 4.20
assign ((resid 5 and name HA )) ( (resid 134 and name HA )) 1.80 0.00 3.20
assign ((resid 5 and name HA )) ( (resid 134 and name HG# )) 1.80 0.00 4.20
assign ((resid 5 and name HA )) ( (resid 6 and name HN )) 1.80 0.00 1.70
assign ((resid 5 and name HA )) ( (resid 7 and name HN )) 1.80 0.00 3.20
assign ((resid 5 and name HA )) ( (resid 8 and name HD1# )) 1.80 0.00 4.20
assign ((resid 5 and name HB# )) ( (resid 8 and name HD2# )) 1.80 0.00 5.20
assign ((resid 5 and name HB# )) ( (resid 8 and name HG )) 1.80 0.00 4.20
assign ((resid 6 and name HA )) ( (resid 133 and name HN )) 1.80 0.00 3.20
assign ((resid 6 and name HD1# )) ( (resid 133 and name HB# )) 1.80 0.00 5.20
assign ((resid 6 and name HD1# )) ( (resid 134 and name HA )) 1.80 0.00 4.20
assign ((resid 6 and name HD1# )) ( (resid 134 and name HG# )) 1.80 0.00 5.20
assign ((resid 6 and name HD1# )) ( (resid 135 and name HA1 )) 1.80 0.00 4.20
assign ((resid 6 and name HD1# )) ( (resid 135 and name HA2 )) 1.80 0.00 4.20
assign ((resid 6 and name HD1# )) ( (resid 135 and name HN )) 1.80 0.00 4.20
assign ((resid 6 and name HD1# )) ( (resid 136 and name HA )) 1.80 0.00 4.20
assign ((resid 6 and name HD1# )) ( (resid 136 and name HG2# )) 1.80 0.00 5.20
assign ((resid 6 and name HD1# )) ( (resid 136 and name HN )) 1.80 0.00 4.20
assign ((resid 6 and name HD1# )) ( (resid 137 and name HA )) 1.80 0.00 4.20
assign ((resid 6 and name HD1# )) ( (resid 137 and name HG## )) 1.80 0.00 6.20
assign ((resid 6 and name HD1# )) ( (resid 53 and name HD# )) 1.80 0.00 6.20
assign ((resid 6 and name HD1# )) ( (resid 53 and name HE# )) 1.80 0.00 6.20
assign ((resid 6 and name HD1# )) ( (resid 57 and name HB )) 1.80 0.00 4.20
assign ((resid 6 and name HD1# )) ( (resid 57 and name HG1# )) 1.80 0.00 5.20
assign ((resid 6 and name HD1# )) ( (resid 57 and name HG2# )) 1.80 0.00 5.20
assign ((resid 6 and name HD1# )) ( (resid 59 and name HA )) 1.80 0.00 4.20
assign ((resid 6 and name HD1# )) ( (resid 59 and name HD1# )) 1.80 0.00 5.20
assign ((resid 6 and name HD1# )) ( (resid 59 and name HG1# )) 1.80 0.00 5.20
assign ((resid 6 and name HD1# )) ( (resid 59 and name HG2# )) 1.80 0.00 5.20
assign ((resid 6 and name HD2# )) ( (resid 135 and name HN )) 1.80 0.00 4.20
assign ((resid 6 and name HD2# )) ( (resid 136 and name HN )) 1.80 0.00 4.20
assign ((resid 6 and name HD2# )) ( (resid 53 and name HD# )) 1.80 0.00 6.20
assign ((resid 6 and name HD2# )) ( (resid 57 and name HG2# )) 1.80 0.00 5.20
assign ((resid 6 and name HN )) ( (resid 132 and name HA )) 1.80 0.00 3.20
assign ((resid 6 and name HN )) ( (resid 133 and name HN )) 1.80 0.00 2.20
assign ((resid 6 and name HN )) ( (resid 134 and name HA )) 1.80 0.00 3.20
assign ((resid 7 and name HA )) ( (resid 132 and name HA )) 1.80 0.00 3.20
assign ((resid 7 and name HA )) ( (resid 133 and name HN )) 1.80 0.00 3.20
assign ((resid 7 and name HA )) ( (resid 13 and name HB# )) 1.80 0.00 4.20
assign ((resid 7 and name HA )) ( (resid 31 and name HG2# )) 1.80 0.00 4.20
assign ((resid 7 and name HA )) ( (resid 51 and name HD1# )) 1.80 0.00 4.20
assign ((resid 7 and name HA )) ( (resid 51 and name HG2# )) 1.80 0.00 4.20
assign ((resid 7 and name HB# )) ( (resid 132 and name HA )) 1.80 0.00 4.20
assign ((resid 7 and name HB# )) ( (resid 133 and name HB# )) 1.80 0.00 5.20
assign ((resid 7 and name HB# )) ( (resid 31 and name HG2# )) 1.80 0.00 5.20
assign ((resid 7 and name HB# )) ( (resid 133 and name HN )) 1.80 0.00 4.20
assign ((resid 7 and name HB# )) ( (resid 51 and name HD1# )) 1.80 0.00 5.20
assign ((resid 7 and name HB# )) ( (resid 51 and name HG2# )) 1.80 0.00 5.20
assign ((resid 7 and name HN )) ( (resid 132 and name HA )) 1.80 0.00 3.20
assign ((resid 8 and name HA )) ( (resid 31 and name HA )) 1.80 0.00 3.20
assign ((resid 8 and name HA )) ( (resid 31 and name HB )) 1.80 0.00 3.20
assign ((resid 8 and name HA )) ( (resid 31 and name HG2# )) 1.80 0.00 4.20
assign ((resid 8 and name HA )) ( (resid 32 and name HN )) 1.80 0.00 3.20
assign ((resid 8 and name HA )) ( (resid 9 and name HN )) 1.80 0.00 1.70
assign ((resid 8 and name HB# )) ( (resid 10 and name HN )) 1.80 0.00 4.20
assign ((resid 8 and name HB# )) ( (resid 11 and name HN )) 1.80 0.00 4.20
assign ((resid 8 and name HD1# )) ( (resid 10 and name HN )) 1.80 0.00 4.20
assign ((resid 8 and name HD1# )) ( (resid 11 and name HB# )) 1.80 0.00 5.20
assign ((resid 8 and name HD1# )) ( (resid 11 and name HG# )) 1.80 0.00 5.20
assign ((resid 8 and name HD1# )) ( (resid 11 and name HN )) 1.80 0.00 4.20
assign ((resid 8 and name HD2# )) ( (resid 10 and name HN )) 1.80 0.00 4.20
assign ((resid 8 and name HD2# )) ( (resid 11 and name HB# )) 1.80 0.00 5.20
assign ((resid 8 and name HD2# )) ( (resid 11 and name HG# )) 1.80 0.00 5.20
assign ((resid 8 and name HD2# )) ( (resid 11 and name HN )) 1.80 0.00 4.20
assign ((resid 8 and name HD2# )) ( (resid 31 and name HA )) 1.80 0.00 4.20
assign ((resid 8 and name HD2# )) ( (resid 31 and name HB )) 1.80 0.00 4.20
assign ((resid 8 and name HD2# )) ( (resid 33 and name HA# )) 1.80 0.00 5.20
assign ((resid 8 and name HD2# )) ( (resid 33 and name HN )) 1.80 0.00 4.20
assign ((resid 8 and name HN )) ( (resid 10 and name HN )) 1.80 0.00 3.20
assign ((resid 8 and name HN )) ( (resid 11 and name HN )) 1.80 0.00 3.20
assign ((resid 9 and name HA )) ( (resid 31 and name HG2# )) 1.80 0.00 4.20
assign ((resid 9 and name HB2 )) ( (resid 31 and name HG2# )) 1.80 0.00 4.20
assign ((resid 9 and name HB# )) ( (resid 31 and name HB )) 1.80 0.00 3.20
assign ((resid 9 and name HB# )) ( (resid 31 and name HG# )) 1.80 0.00 4.20
assign ((resid 9 and name HB# )) ( (resid 31 and name HD1# )) 1.80 0.00 4.20
assign ((resid 9 and name HN )) ( (resid 11 and name HN )) 1.80 0.00 3.20
assign ((resid 9 and name HN )) ( (resid 31 and name HB )) 1.80 0.00 3.20
assign ((resid 9 and name HN )) ( (resid 31 and name HD1# )) 1.80 0.00 4.20
assign ((resid 9 and name HN )) ( (resid 31 and name HG2# )) 1.80 0.00 4.20
assign ((resid 10 and name HN )) ( (resid 12 and name HN )) 1.80 0.00 3.20
assign ((resid 11 and name HA )) ( (resid 13 and name HN )) 1.80 0.00 3.20
assign ((resid 11 and name HB# )) ( (resid 13 and name HN )) 1.80 0.00 4.20
assign ((resid 11 and name HG# )) ( (resid 13 and name HN )) 1.80 0.00 4.20
assign ((resid 11 and name HN )) ( (resid 12 and name HN )) 1.80 0.00 1.70
assign ((resid 11 and name HN )) ( (resid 13 and name HN )) 1.80 0.00 3.20
assign ((resid 12 and name HN )) ( (resid 13 and name HN )) 1.80 0.00 1.70
assign ((resid 13 and name HA )) ( (resid 14 and name HN )) 1.80 0.00 1.10
assign ((resid 13 and name HA )) ( (resid 51 and name HG2# )) 1.80 0.00 4.20
assign ((resid 13 and name HA )) ( (resid 53 and name HA )) 1.80 0.00 3.20
assign ((resid 13 and name HA )) ( (resid 54 and name HD2 )) 1.80 0.00 3.20
assign ((resid 13 and name HB# )) ( (resid 31 and name HD1# )) 1.80 0.00 5.20
assign ((resid 13 and name HB# )) ( (resid 51 and name HD1# )) 1.80 0.00 5.20
assign ((resid 13 and name HB# )) ( (resid 51 and name HG2# )) 1.80 0.00 4.20
assign ((resid 13 and name HB# )) ( (resid 31 and name HG2# )) 1.80 0.00 5.20
assign ((resid 13 and name HB# )) ( (resid 53 and name HA )) 1.80 0.00 3.20
assign ((resid 13 and name HN )) ( (resid 31 and name HD1# )) 1.80 0.00 4.20
assign ((resid 14 and name HA )) ( (resid 15 and name HN )) 1.80 0.00 1.10
assign ((resid 14 and name HB# )) ( (resid 54 and name HD2 )) 1.80 0.00 4.20
assign ((resid 14 and name HG# )) ( (resid 54 and name HD2 )) 1.80 0.00 4.20
assign ((resid 14 and name HN )) ( (resid 31 and name HD1# )) 1.80 0.00 4.20
assign ((resid 14 and name HN )) ( (resid 51 and name HG2# )) 1.80 0.00 4.20
assign ((resid 14 and name HN )) ( (resid 52 and name HN )) 1.80 0.00 2.20
assign ((resid 14 and name HN )) ( (resid 53 and name HA )) 1.80 0.00 3.20
assign ((resid 14 and name HN )) ( (resid 54 and name HD2 )) 1.80 0.00 3.20
assign ((resid 15 and name HA )) ( (resid 16 and name HN )) 1.80 0.00 1.70
assign ((resid 15 and name HA )) ( (resid 51 and name HA )) 1.80 0.00 2.20
assign ((resid 15 and name HA )) ( (resid 51 and name HD1# )) 1.80 0.00 4.20
assign ((resid 15 and name HA )) ( (resid 51 and name HG1# )) 1.80 0.00 4.20
assign ((resid 15 and name HA )) ( (resid 51 and name HG2# )) 1.80 0.00 4.20
assign ((resid 15 and name HA )) ( (resid 52 and name HN )) 1.80 0.00 3.20
assign ((resid 15 and name HB )) ( (resid 30 and name HD1# )) 1.80 0.00 4.20
assign ((resid 15 and name HB )) ( (resid 51 and name HG1# )) 1.80 0.00 4.20
assign ((resid 15 and name HB )) ( (resid 51 and name HG2# )) 1.80 0.00 4.20
assign ((resid 15 and name HG1# )) ( (resid 27 and name HB# )) 1.80 0.00 5.20
assign ((resid 15 and name HG1# )) ( (resid 30 and name HD1# )) 1.80 0.00 5.20
assign ((resid 15 and name HG1# )) ( (resid 51 and name HG2# )) 1.80 0.00 5.20
assign ((resid 15 and name HG2# )) ( (resid 27 and name HB# )) 1.80 0.00 5.20
assign ((resid 15 and name HG2# )) ( (resid 30 and name HD1# )) 1.80 0.00 5.20
assign ((resid 15 and name HG2# )) ( (resid 51 and name HG2# )) 1.80 0.00 5.20
assign ((resid 15 and name HG# )) ( (resid 18 and name HN )) 1.80 0.00 5.60
assign ((resid 15 and name HG# )) ( (resid 27 and name HG1 )) 1.80 0.00 5.60
assign ((resid 15 and name HG# )) ( (resid 27 and name HG2 )) 1.80 0.00 5.60
assign ((resid 15 and name HG# )) ( (resid 30 and name HB )) 1.80 0.00 5.60
assign ((resid 15 and name HG# )) ( (resid 30 and name HD1# )) 1.80 0.00 6.60
assign ((resid 15 and name HG# )) ( (resid 32 and name HN )) 1.80 0.00 5.60
assign ((resid 15 and name HG# )) ( (resid 49 and name HD# )) 1.80 0.00 7.60
assign ((resid 15 and name HG# )) ( (resid 51 and name HA )) 1.80 0.00 5.60
assign ((resid 15 and name HG# )) ( (resid 51 and name HD1# )) 1.80 0.00 6.60
assign ((resid 15 and name HG# )) ( (resid 51 and name HG1# )) 1.80 0.00 6.60
assign ((resid 16 and name HB )) ( (resid 50 and name HG2# )) 1.80 0.00 4.20
assign ((resid 16 and name HD1# )) ( (resid 113 and name HE# )) 1.80 0.00 6.20
assign ((resid 16 and name HD1# )) ( (resid 50 and name HB )) 1.80 0.00 4.20
assign ((resid 16 and name HD1# )) ( (resid 50 and name HD1# )) 1.80 0.00 5.20
assign ((resid 16 and name HD1# )) ( (resid 50 and name HG2# )) 1.80 0.00 5.20
assign ((resid 16 and name HD1# )) ( (resid 52 and name HB# )) 1.80 0.00 5.20
assign ((resid 16 and name HD1# )) ( (resid 82 and name HA )) 1.80 0.00 4.20
assign ((resid 16 and name HD1# )) ( (resid 82 and name HB# )) 1.80 0.00 5.20
assign ((resid 16 and name HD1# )) ( (resid 82 and name HG# )) 1.80 0.00 5.20
assign ((resid 16 and name HG1# )) ( (resid 50 and name HD1# )) 1.80 0.00 5.20
assign ((resid 16 and name HG1# )) ( (resid 50 and name HG2# )) 1.80 0.00 5.20
assign ((resid 16 and name HG2# )) ( (resid 113 and name HE# )) 1.80 0.00 6.20
assign ((resid 16 and name HG2# )) ( (resid 50 and name HB )) 1.80 0.00 4.20
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assign ((resid 78 and name HN )) ( (resid 112 and name HN )) 1.80 0.00 3.20
assign ((resid 78 and name HN )) ( (resid 79 and name HN )) 1.80 0.00 1.70
assign ((resid 79 and name HA )) ( (resid 81 and name HN )) 1.80 0.00 3.20
assign ((resid 79 and name HB# )) ( (resid 81 and name HN )) 1.80 0.00 4.20
assign ((resid 79 and name HB# )) ( (resid 83 and name HG2# )) 1.80 0.00 5.20
assign ((resid 79 and name HB# )) ( (resid 83 and name HN )) 1.80 0.00 4.20
assign ((resid 79 and name HB# )) ( (resid 84 and name HB# )) 1.80 0.00 5.20
assign ((resid 79 and name HN )) ( (resid 112 and name HG1 )) 1.80 0.00 3.20
assign ((resid 79 and name HN )) ( (resid 112 and name HG2# )) 1.80 0.00 4.20
assign ((resid 79 and name HN )) ( (resid 81 and name HN )) 1.80 0.00 3.20
assign ((resid 80 and name HA )) ( (resid 112 and name HG1 )) 1.80 0.00 3.20
assign ((resid 80 and name HA )) ( (resid 112 and name HG2# )) 1.80 0.00 4.20
assign ((resid 80 and name HA )) ( (resid 113 and name HE# )) 1.80 0.00 5.20
assign ((resid 81 and name HA )) ( (resid 113 and name HE# )) 1.80 0.00 5.20
assign ((resid 81 and name HA )) ( (resid 82 and name HG# )) 1.80 0.00 4.20
assign ((resid 81 and name HA )) ( (resid 83 and name HG2# )) 1.80 0.00 4.20
assign ((resid 81 and name HB# )) ( (resid 83 and name HG2# )) 1.80 0.00 5.20
assign ((resid 81 and name HG# )) ( (resid 83 and name HG1# )) 1.80 0.00 5.20
assign ((resid 81 and name HG# )) ( (resid 83 and name HG2# )) 1.80 0.00 5.20
assign ((resid 81 and name HN )) ( (resid 83 and name HG# )) 1.80 0.00 5.60
assign ((resid 81 and name HN )) ( (resid 83 and name HN )) 1.80 0.00 3.20
assign ((resid 82 and name HA )) ( (resid 113 and name HE# )) 1.80 0.00 5.20
assign ((resid 82 and name HA )) ( (resid 83 and name HN )) 1.80 0.00 1.10
assign ((resid 82 and name HA )) ( (resid 85 and name HE# )) 1.80 0.00 5.20
assign ((resid 82 and name HB# )) ( (resid 113 and name HE# )) 1.80 0.00 5.20
assign ((resid 82 and name HD# )) ( (resid 113 and name HE# )) 1.80 0.00 6.20
assign ((resid 82 and name HD# )) ( (resid 83 and name HG1# )) 1.80 0.00 5.20
assign ((resid 82 and name HD# )) ( (resid 83 and name HG2# )) 1.80 0.00 5.20
assign ((resid 82 and name HG# )) ( (resid 113 and name HE# )) 1.80 0.00 6.20
assign ((resid 83 and name HA )) ( (resid 84 and name HN )) 1.80 0.00 1.70
assign ((resid 83 and name HB )) ( (resid 84 and name HN )) 1.80 0.00 1.70
assign ((resid 83 and name HG2# )) ( (resid 84 and name HA )) 1.80 0.00 4.20
assign ((resid 85 and name HA )) ( (resid 86 and name HB# )) 1.80 0.00 4.20
assign ((resid 85 and name HA )) ( (resid 86 and name HN )) 1.80 0.00 1.10
assign ((resid 87 and name HA )) ( (resid 88 and name HN )) 1.80 0.00 1.10
assign ((resid 88 and name HA )) ( (resid 88 and name HE1 )) 1.80 0.00 3.20
assign ((resid 88 and name HD1 )) ( (resid 89 and name HD1# )) 1.80 0.00 4.20
assign ((resid 88 and name HD1 )) ( (resid 89 and name HG1# )) 1.80 0.00 4.20
assign ((resid 88 and name HE1 )) ( (resid 107 and name HA )) 1.80 0.00 3.20
assign ((resid 88 and name HE1 )) ( (resid 107 and name HB# )) 1.80 0.00 4.20
assign ((resid 88 and name HE1 )) ( (resid 108 and name HN )) 1.80 0.00 3.20
assign ((resid 88 and name HE1 )) ( (resid 109 and name HA# )) 1.80 0.00 4.20
assign ((resid 88 and name HE1 )) ( (resid 109 and name HN )) 1.80 0.00 3.70
assign ((resid 88 and name HE1 )) ( (resid 89 and name HD1# )) 1.80 0.00 4.20
assign ((resid 88 and name HE1 )) ( (resid 89 and name HG1# )) 1.80 0.00 4.20
assign ((resid 88 and name HE3 )) ( (resid 114 and name HD2# )) 1.80 0.00 4.20
assign ((resid 88 and name HH2 )) ( (resid 107 and name HB# )) 1.80 0.00 4.20
assign ((resid 88 and name HH2 )) ( (resid 114 and name HD2# )) 1.80 0.00 4.20
assign ((resid 88 and name HN )) ( (resid 89 and name HG1# )) 1.80 0.00 4.20
assign ((resid 88 and name HN )) ( (resid 89 and name HN )) 1.80 0.00 1.70
assign ((resid 88 and name HZ2 )) ( (resid 107 and name HB# )) 1.80 0.00 4.20
assign ((resid 88 and name HZ2 )) ( (resid 108 and name HA )) 1.80 0.00 3.20
assign ((resid 88 and name HZ2 )) ( (resid 108 and name HN )) 1.80 0.00 3.20
assign ((resid 88 and name HZ2 )) ( (resid 109 and name HA# )) 1.80 0.00 4.20
assign ((resid 88 and name HZ2 )) ( (resid 109 and name HN )) 1.80 0.00 3.20
assign ((resid 88 and name HZ2 )) ( (resid 89 and name HD1# )) 1.80 0.00 4.20
assign ((resid 89 and name HA )) ( (resid 90 and name HN )) 1.80 0.00 1.10
assign ((resid 89 and name HD1# )) ( (resid 105 and name HB )) 1.80 0.00 4.20
assign ((resid 89 and name HD1# )) ( (resid 105 and name HD1# )) 1.80 0.00 5.20
assign ((resid 89 and name HD1# )) ( (resid 105 and name HG1# )) 1.80 0.00 5.20
assign ((resid 89 and name HD1# )) ( (resid 105 and name HG2# )) 1.80 0.00 5.20
assign ((resid 89 and name HD1# )) ( (resid 107 and name HA )) 1.80 0.00 3.20
assign ((resid 89 and name HD1# )) ( (resid 107 and name HB# )) 1.80 0.00 4.20
assign ((resid 89 and name HD1# )) ( (resid 91 and name HE# )) 1.80 0.00 5.20
assign ((resid 89 and name HG1# )) ( (resid 107 and name HB# )) 1.80 0.00 5.20
assign ((resid 89 and name HG2# )) ( (resid 107 and name HB# )) 1.80 0.00 4.20
assign ((resid 90 and name HA )) ( (resid 91 and name HN )) 1.80 0.00 1.10
assign ((resid 91 and name HA )) ( (resid 92 and name HN )) 1.80 0.00 1.70
assign ((resid 91 and name HE# )) ( (resid 105 and name HG2# )) 1.80 0.00 5.20
assign ((resid 92 and name HA )) ( (resid 93 and name HN )) 1.80 0.00 1.10
assign ((resid 93 and name HA )) ( (resid 94 and name HN )) 1.80 0.00 1.10
assign ((resid 94 and name HA )) ( (resid 122 and name HD# )) 1.80 0.00 5.20
assign ((resid 94 and name HA )) ( (resid 122 and name HE# )) 1.80 0.00 5.20
assign ((resid 94 and name HA )) ( (resid 122 and name HZ )) 1.80 0.00 3.20
assign ((resid 94 and name HA )) ( (resid 95 and name HN )) 1.80 0.00 1.10
assign ((resid 94 and name HG1# )) ( (resid 122 and name HZ )) 1.80 0.00 4.40
assign ((resid 94 and name HG2# )) ( (resid 122 and name HZ )) 1.80 0.00 4.40
assign ((resid 95 and name HA )) ( (resid 96 and name HN )) 1.80 0.00 1.10
assign ((resid 95 and name HD2 )) ( (resid 96 and name HG2# )) 1.80 0.00 4.20
assign ((resid 96 and name HA )) ( (resid 97 and name HN )) 1.80 0.00 1.70
assign ((resid 96 and name HA )) ( (resid 99 and name HB# )) 1.80 0.00 4.20
assign ((resid 96 and name HA )) ( (resid 99 and name HG# )) 1.80 0.00 4.20
assign ((resid 96 and name HB )) ( (resid 97 and name HN )) 1.80 0.00 1.70
assign ((resid 96 and name HB )) ( (resid 99 and name HB# )) 1.80 0.00 4.20
assign ((resid 96 and name HB )) ( (resid 99 and name HG# )) 1.80 0.00 4.20
assign ((resid 96 and name HG2# )) ( (resid 99 and name HB# )) 1.80 0.00 3.20
assign ((resid 96 and name HG2# )) ( (resid 99 and name HE2# )) 1.80 0.00 5.20
assign ((resid 96 and name HG2# )) ( (resid 99 and name HN )) 1.80 0.00 4.20
assign ((resid 97 and name HG# )) ( (resid 98 and name HA# )) 1.80 0.00 4.80
assign ((resid 97 and name HN )) ( (resid 99 and name HN )) 1.80 0.00 3.20
assign ((resid 98 and name HN )) ( (resid 99 and name HN )) 1.80 0.00 2.20
assign ((resid 99 and name HA )) ( (resid 100 and name HN )) 1.80 0.00 1.70
assign ((resid 100 and name HA )) ( (resid 101 and name HN )) 1.80 0.00 1.70
assign ((resid 100 and name HD1# )) ( (resid 102 and name HD22 )) 1.80 0.00 4.20
assign ((resid 101 and name HA )) ( (resid 102 and name HN )) 1.80 0.00 1.10
assign ((resid 102 and name HA )) ( (resid 103 and name HN )) 1.80 0.00 1.10
assign ((resid 103 and name HA )) ( (resid 104 and name HN )) 1.80 0.00 1.10
assign ((resid 104 and name HA )) ( (resid 105 and name HN )) 1.80 0.00 1.70
assign ((resid 105 and name HA )) ( (resid 106 and name HN )) 1.80 0.00 1.10
assign ((resid 105 and name HG2# )) ( (resid 107 and name HA )) 1.80 0.00 4.20
assign ((resid 105 and name HG2# )) ( (resid 107 and name HB# )) 1.80 0.00 5.20
assign ((resid 105 and name HG2# )) ( (resid 107 and name HN )) 1.80 0.00 4.20
assign ((resid 106 and name HA )) ( (resid 107 and name HN )) 1.80 0.00 1.10
assign ((resid 106 and name HG# )) ( (resid 108 and name HD2 )) 1.80 0.00 5.60
assign ((resid 106 and name HN )) ( (resid 107 and name HN )) 1.80 0.00 3.20
assign ((resid 107 and name HA )) ( (resid 108 and name HN )) 1.80 0.00 1.10
assign ((resid 107 and name HN )) ( (resid 108 and name HN )) 1.80 0.00 3.20
assign ((resid 108 and name HA )) ( (resid 109 and name HN )) 1.80 0.00 1.10
assign ((resid 110 and name HA )) ( (resid 111 and name HN )) 1.80 0.00 1.10
assign ((resid 111 and name HA )) ( (resid 112 and name HN )) 1.80 0.00 1.70
assign ((resid 111 and name HB# )) ( (resid 113 and name HN )) 1.80 0.00 4.20
assign ((resid 111 and name HB# )) ( (resid 114 and name HG )) 1.80 0.00 4.20
assign ((resid 111 and name HB# )) ( (resid 114 and name HD2# )) 1.80 0.00 5.20
assign ((resid 112 and name HN )) ( (resid 113 and name HN )) 1.80 0.00 2.20
assign ((resid 113 and name HA )) ( (resid 114 and name HN )) 1.80 0.00 1.10
assign ((resid 114 and name HA )) ( (resid 115 and name HN )) 1.80 0.00 1.10
assign ((resid 114 and name HD2# )) ( (resid 116 and name HD# )) 1.80 0.00 6.20
assign ((resid 114 and name HD1# )) ( (resid 116 and name HE# )) 1.80 0.00 6.20
assign ((resid 115 and name HD1 )) ( (resid 117 and name HD1# )) 1.80 0.00 4.20
assign ((resid 115 and name HD2 )) ( (resid 117 and name HD1# )) 1.80 0.00 4.20
assign ((resid 115 and name HD# )) ( (resid 117 and name HG1# )) 1.80 0.00 5.20
assign ((resid 116 and name HD# )) ( (resid 131 and name HG1# )) 1.80 0.00 6.20
assign ((resid 116 and name HD# )) ( (resid 131 and name HG2# )) 1.80 0.00 6.20
assign ((resid 116 and name HE# )) ( (resid 131 and name HG1# )) 1.80 0.00 6.20
assign ((resid 116 and name HE# )) ( (resid 131 and name HG2# )) 1.80 0.00 6.20
assign ((resid 116 and name HZ )) ( (resid 131 and name HG2# )) 1.80 0.00 4.20
assign ((resid 117 and name HA )) ( (resid 118 and name HN )) 1.80 0.00 1.70
assign ((resid 118 and name HA )) ( (resid 119 and name HN )) 1.80 0.00 1.70
assign ((resid 118 and name HA )) ( (resid 120 and name HN )) 1.80 0.00 3.20
assign ((resid 118 and name HD1# )) ( (resid 121 and name HB# )) 1.80 0.00 5.20
assign ((resid 118 and name HG2# )) ( (resid 121 and name HB# )) 1.80 0.00 5.20
assign ((resid 119 and name HG1# )) ( (resid 120 and name HA )) 1.80 0.00 4.20
assign ((resid 119 and name HG1# )) ( (resid 120 and name HB# )) 1.80 0.00 5.20
assign ((resid 119 and name HG2# )) ( (resid 120 and name HB# )) 1.80 0.00 5.20
assign ((resid 120 and name HA )) ( (resid 121 and name HB# )) 1.80 0.00 4.20
assign ((resid 121 and name HB# )) ( (resid 123 and name HN )) 1.80 0.00 4.20
assign ((resid 121 and name HB# )) ( (resid 125 and name HN )) 1.80 0.00 4.20
assign ((resid 121 and name HB# )) ( (resid 126 and name HB# )) 1.80 0.00 5.20
assign ((resid 121 and name HN )) ( (resid 123 and name HN )) 1.80 0.00 3.20
assign ((resid 122 and name HN )) ( (resid 123 and name HN )) 1.80 0.00 1.70
assign ((resid 123 and name HA )) ( (resid 125 and name HN )) 1.80 0.00 3.20
assign ((resid 123 and name HB# )) ( (resid 125 and name HN )) 1.80 0.00 4.20
assign ((resid 123 and name HN )) ( (resid 125 and name HN )) 1.80 0.00 3.20
assign ((resid 124 and name HA )) ( (resid 125 and name HN )) 1.80 0.00 1.70
assign ((resid 124 and name HD2 )) ( (resid 125 and name HD# )) 1.80 0.00 5.20
assign ((resid 126 and name HA )) ( (resid 127 and name HN )) 1.80 0.00 1.70
assign ((resid 127 and name HA )) ( (resid 128 and name HN )) 1.80 0.00 1.70
assign ((resid 128 and name HA )) ( (resid 130 and name HN )) 1.80 0.00 3.20
assign ((resid 128 and name HG1# )) ( (resid 130 and name HN )) 1.80 0.00 4.20
assign ((resid 128 and name HG2# )) ( (resid 130 and name HN )) 1.80 0.00 4.20
assign ((resid 129 and name HN )) ( (resid 130 and name HN )) 1.80 0.00 1.70
assign ((resid 130 and name HA )) ( (resid 131 and name HN )) 1.80 0.00 1.10
assign ((resid 130 and name HN )) ( (resid 131 and name HG# )) 1.80 0.00 4.20
assign ((resid 131 and name HA )) ( (resid 132 and name HN )) 1.80 0.00 1.10
assign ((resid 132 and name HA )) ( (resid 133 and name HN )) 1.80 0.00 1.70
assign ((resid 133 and name HA )) ( (resid 134 and name HN )) 1.80 0.00 1.10
assign ((resid 134 and name HA )) ( (resid 135 and name HN )) 1.80 0.00 1.70
assign ((resid 135 and name HA1 )) ( (resid 136 and name HN )) 1.80 0.00 1.70
assign ((resid 135 and name HA2 )) ( (resid 136 and name HN )) 1.80 0.00 1.70
assign ((resid 137 and name HA )) ( (resid 138 and name HN )) 1.80 0.00 1.70
assign ((resid 137 and name HG# )) ( (resid 140 and name HD22 )) 1.80 0.00 5.60
assign ((resid 138 and name HN )) ( (resid 139 and name HN )) 1.80 0.00 3.20
assign ((resid 139 and name HA )) ( (resid 140 and name HN )) 1.80 0.00 1.70
list of removed NOE constraints
35-> LEU 6 HA - CYS 7 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
110-> GLU 11 HN - GLY 12 HA# 1.80 6.00 # NoRestrctn S [2.00 3.55] -- sequential
209-> SER 21 HA - ASP 22 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
220-> LYS 24 HA - HIS 25 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
222-> HIS 25 HA - PRO 26 HD1 1.80 5.00 # NoRestrctn S [2.00 3.95] -- sequential
223-> HIS 25 HA - PRO 26 HD2 1.80 5.00 # NoRestrctn S [2.00 3.95] -- sequential
242-> GLU 28 HA - ASN 29 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
262-> ILE 31 HA - ASP 32 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
266-> ASP 32 HN - GLY 33 HA# 1.80 5.60 # NoRestrctn S [2.00 3.55] -- sequential
269-> ASN 34 HA - PRO 35 HD1 1.80 5.00 # NoRestrctn S [2.00 3.95] -- sequential
270-> ASN 34 HA - PRO 35 HD2 1.80 5.00 # NoRestrctn S [2.00 3.95] -- sequential
296-> THR 42 HA - GLY 43 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
298-> GLY 43 HA1 - MET 44 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
299-> GLY 43 HA2 - MET 44 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
303-> PHE 45 HA - PRO 46 HD# 1.80 6.00 # NoRestrctn S [2.00 3.95] -- sequential
311-> PHE 45 HD# - PRO 46 HA 1.80 6.00 # NoRestrctn S [2.00 3.95] -- sequential
316-> PHE 45 HN - PHE 45 HD# 1.80 7.00 # NoRestrctn I [2.29 6.01] -- intra
317-> PHE 45 HN - PRO 46 HA 1.80 5.00 # NoRestrctn S [2.00 3.99] -- sequential
406-> HIS 56 HA - VAL 57 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
588-> TYR 67 HA - PHE 68 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
625-> GLN 70 HA - THR 71 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
754-> SER 79 HA - LYS 80 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
766-> LYS 80 HA - GLU 81 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
768-> GLU 81 HA - PRO 82 HD1 1.80 4.00 # NoRestrctn S [2.00 3.95] -- sequential
769-> GLU 81 HA - PRO 82 HD2 1.80 4.00 # NoRestrctn S [2.00 3.95] -- sequential
792-> TRP 88 HA - ILE 89 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
845-> GLU 97 HA - GLY 98 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
848-> GLY 98 HA# - GLN 99 HN 1.80 5.00 # NoRestrctn S [2.00 3.55] -- sequential
851-> GLN 99 HN - LEU 100 HA 1.80 6.00 # NoRestrctn S [2.00 3.99] -- sequential
868-> GLY 109 HA1 - SER 110 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
869-> GLY 109 HA2 - SER 110 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
880-> ARG 115 HA - PHE 116 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
884-> PHE 116 HA - ILE 117 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
895-> VAL 119 HA - SER 120 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
900-> SER 120 HA - ALA 121 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
901-> ALA 121 HA - PHE 122 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
906-> PHE 122 HA - ASP 123 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
908-> ASP 123 HA - HIS 124 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
916-> VAL 128 HA - HIS 129 HN 1.80 5.00 # NoRestrctn S [2.00 3.99] -- sequential
920-> HIS 129 HA - SER 130 HN 1.80 5.00 # NoRestrctn S [2.00 3.99] -- sequential
932-> VAL 138 HA - SER 139 HN 1.80 4.00 # NoRestrctn S [2.00 3.99] -- sequential
====== TOTAL ======: 41
table of distance constraints violations
Residual Violations greater than 0.10
2-> ARG 2 HA - THR 136 HG2* [ 1.80 6.00] 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.02 0.23 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.05 0.00 - 6 [ 0.02 .. 0.45]
49-> LEU 6 HD1* - VAL 57 HB [ 1.80 6.00] 0.00 0.00 0.18 0.18 0.20 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 - 5 [ 0.06 .. 0.20]
69-> CYS 7 HB* - SER 132 HA [ 1.80 6.00] 0.02 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.12]
101-> SER 9 HB* - ILE 31 HD1* [ 1.80 6.00] 0.26 0.00 0.00 0.21 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.08 0.00 0.13 0.23 0.00 0.00 0.12 0.00 0.00 - 7 [ 0.02 .. 0.26]
144-> VAL 15 HG2* - PRO 27 HB* [ 1.80 7.00] 0.00 0.00 0.00 0.25 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 [ 0.25 .. 0.25]
156-> VAL 15 HG* - ILE 51 HG1* [ 1.80 8.40] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.09 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 - 4 [ 0.09 .. 0.17]
169-> ILE 16 HG2* - ILE 50 HB [ 1.80 6.00] 0.23 0.00 0.12 0.00 0.02 0.00 0.04 0.12 0.01 0.08 0.00 0.40 0.00 0.00 0.12 0.05 0.03 0.00 0.03 0.00 - 12 [ 0.01 .. 0.40]
293-> THR 41 HG2* - GLY 43 HN [ 1.80 6.00] 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.33 0.13 0.00 0.00 0.00 - 4 [ 0.13 .. 0.33]
294-> THR 41 HG2* - GLN 47 HG* [ 1.80 7.00] 0.00 0.00 0.01 0.00 0.00 0.22 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 - 4 [ 0.01 .. 0.25]
321-> PRO 46 HB* - VAL 119 HA [ 1.80 6.00] 0.27 0.11 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.36 0.00 0.00 0.00 0.13 0.00 0.27 - 7 [ 0.11 .. 0.36]
412-> HIS 56 HB* - SER 139 HB* [ 1.80 7.00] 0.00 0.02 0.00 0.19 0.00 0.19 0.00 0.00 0.20 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.02 .. 0.32]
529-> VAL 63 HB - SER 132 HB* [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.15 0.00 0.00 0.00 0.07 0.00 0.00 - 4 [ 0.03 .. 0.34]
563-> ILE 64 HG2* - VAL 131 HG* [ 1.80 8.40] 0.04 0.00 0.00 0.34 0.00 0.04 0.00 0.00 0.13 0.25 0.02 0.13 0.32 0.00 0.00 0.00 0.00 0.08 0.20 0.00 - 10 [ 0.02 .. 0.34]
592-> TYR 67 HD* - LEU 100 HD2* [ 1.80 8.00] 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 0.32 - 1 [ 0.32 .. 0.32]
593-> TYR 67 HD* - LEU 100 HG [ 1.80 7.00] 0.00 0.00 0.00 0.00 0.20 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 [ 0.20 .. 0.20]
596-> TYR 67 HE* - LEU 100 HD2* [ 1.80 8.00] 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 0.32 0.00 - 1 [ 0.32 .. 0.32]
599-> PHE 68 HA - PHE 122 HD* [ 1.80 7.00] 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 0.03 0.00 0.00 0.00 0.25 0.00 - 2 [ 0.03 .. 0.25]
611-> VAL 69 HB - LEU 93 HD1* [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.19 .. 0.19]
613-> VAL 69 HG1* - ILE 118 HG2* [ 1.80 7.00] 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.21 0.00 0.00 0.01 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.21]
645-> LEU 72 HD1* - PHE 116 HB* [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 - 1 [ 0.11 .. 0.11]
646-> LEU 72 HD1* - PHE 116 HD* [ 1.80 8.00] 0.00 0.00 0.00 0.18 0.37 0.00 0.00 0.09 0.00 0.00 0.24 0.08 0.05 0.19 0.37 0.16 0.13 0.11 0.00 0.00 - 11 [ 0.05 .. 0.37]
669-> LYS 73 HE* - ILE 117 HD1* [ 1.80 7.00] 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 0.05 0.00 0.00 0.00 0.00 0.00 0.15 - 3 [ 0.00 .. 0.15]
685-> ILE 74 HD1* - ILE 89 HG1* [ 1.80 7.00] 0.00 0.05 0.14 0.02 0.09 0.02 0.22 0.05 0.00 0.00 0.09 0.16 0.00 0.11 0.00 0.00 0.00 0.00 0.24 0.40 - 12 [ 0.02 .. 0.40]
707-> GLU 75 HG* - PHE 85 HB* [ 1.80 7.00] 0.00 0.00 0.23 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.18 .. 0.23]
747-> THR 78 HG2* - ALA 111 HA [ 1.80 6.00] 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
772-> GLU 81 HB* - VAL 83 HG2* [ 1.80 7.00] 0.05 0.00 0.00 0.00 0.00 0.03 0.18 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 - 5 [ 0.03 .. 0.18]
817-> ILE 89 HD1* - ILE 105 HG2* [ 1.80 7.00] 0.06 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.11]
840-> THR 96 HB - GLN 99 HB* [ 1.80 6.00] 0.00 0.00 0.02 0.34 0.03 0.00 0.01 0.17 0.00 0.20 0.48 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.12 - 9 [ 0.01 .. 0.48]
843-> THR 96 HG2* - GLN 99 HE2* [ 1.80 7.00] 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
-------------------------------------------
Number of Violations greater than 0.10 3 2 6 8 7 3 3 3 5 3 7 3 1 6 4 2 3 3 5 6
-------------------------------------------
---- Summary Of Residual Distance Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 0 2 4 4 1 2 2 2 3 1 3 2 0 4 2 1 3 3 1 2 2.10
0.2 - 0.5 ang: 3 0 2 4 6 1 1 1 2 2 4 1 1 2 2 1 0 0 4 4 2.05
> 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 33 32 32 30 41 29 33 33 31 31 33 34 31 37 33 24 29 35 28 27 31.80
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 0.271 0.115 0.299 0.342 0.368 0.215 0.224 0.214 0.225 0.450 0.479 0.403 0.321 0.362 0.366 0.327 0.132 0.129 0.316 0.402 0.479
Max Intra Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Max Seque Viol : 0.025 0.008 0.014 0.018 0.008 0.004 0.005 0.017 0.010 0.012 0.008 0.007 0.003 0.013 0.004 0.008 0.017 0.048 0.005 0.010 0.048
Max Medium Viol : 0.048 0.007 0.299 0.342 0.345 0.033 0.175 0.171 0.150 0.197 0.479 0.100 0.047 0.012 0.155 0.327 0.127 0.009 0.009 0.118 0.479
Max Long Viol : 0.271 0.115 0.235 0.339 0.368 0.215 0.224 0.214 0.225 0.450 0.321 0.403 0.321 0.362 0.366 0.161 0.132 0.129 0.316 0.402 0.450
Average Violation : 0.001 0.001 0.001 0.002 0.002 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.00122
Avge Intra Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.00000
Avge Seque Viol : 0.000 0.000 0.002 0.002 0.002 0.000 0.001 0.001 0.001 0.001 0.003 0.001 0.000 0.000 0.001 0.003 0.001 0.000 0.000 0.001 0.00105
Avge Mediu Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.001 0.000 0.000 0.00013
Avge Long Viol : 0.002 0.001 0.001 0.002 0.003 0.001 0.001 0.001 0.001 0.002 0.002 0.002 0.001 0.002 0.001 0.001 0.001 0.001 0.002 0.002 0.00146
RMS Violation : 0.014 0.007 0.015 0.021 0.025 0.011 0.010 0.010 0.012 0.018 0.023 0.015 0.011 0.017 0.015 0.012 0.007 0.009 0.017 0.021 0.01542
RMS Intra : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.00000
RMS Sequential : 0.004 0.001 0.023 0.026 0.027 0.003 0.014 0.013 0.012 0.015 0.037 0.008 0.004 0.001 0.012 0.026 0.010 0.001 0.001 0.009 0.01597
RMS Medium range : 0.002 0.001 0.001 0.002 0.001 0.001 0.001 0.002 0.001 0.001 0.001 0.001 0.000 0.001 0.000 0.001 0.002 0.004 0.000 0.001 0.00148
RMS Long range : 0.017 0.008 0.014 0.022 0.026 0.013 0.010 0.010 0.013 0.020 0.021 0.018 0.013 0.020 0.017 0.007 0.007 0.010 0.020 0.025 0.01659
Final --global-- Summary for 20 models, 996 NOEs/model, 19920 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 24.382
Summ sq. viol : 4.738
Maximum viol : 0.479
Average viol : 0.00122
RMSD viol : 0.01542
Std. Dev. viol : 0.01537
RMS Intra : 0.00000
RMS Seque : 0.01597
RMS Medi : 0.00148
RMS Long : 0.01659
table of dihedral angle constraints violations
143-> [GLU A 97] PHI -104.1 -44.1 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.3 1.1 0.0 0.0 - 5 [ 0.0 .. 1.1]
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0.05
> 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 9 9 13 14 16 20 16 19 19 16 14 16 21 11 13 13 15 28 11 17 15.50
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 : 0.5 0.3 0.3 0.3 0.4 0.4 0.5 0.4 0.4 0.6 0.3 0.5 0.4 0.4 0.5 0.6 0.4 1.1 0.3 0.6 1.07
Max PHI Viol : 0.5 0.3 0.2 0.3 0.4 0.3 0.5 0.4 0.4 0.6 0.3 0.5 0.4 0.4 0.5 0.1 0.4 1.1 0.3 0.4 1.07
Max PSI Viol : 0.1 0.1 0.3 0.1 0.2 0.4 0.3 0.3 0.3 0.3 0.3 0.1 0.4 0.3 0.1 0.6 0.2 0.9 0.3 0.6 0.95
Average 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 0.010
Avge PHI Viol : 0.102 0.087 0.079 0.107 0.132 0.112 0.126 0.127 0.130 0.139 0.075 0.142 0.115 0.107 0.125 0.053 0.131 0.193 0.093 0.133 0.119
Avge PSI Viol : 0.037 0.039 0.088 0.049 0.052 0.115 0.070 0.082 0.073 0.059 0.103 0.025 0.097 0.082 0.046 0.126 0.071 0.150 0.069 0.101 0.083
RMS Violation : 0.043 0.028 0.036 0.035 0.042 0.054 0.054 0.051 0.046 0.059 0.038 0.050 0.048 0.048 0.045 0.056 0.050 0.123 0.035 0.067 0.054
RMS PHI Viol : 0.060 0.039 0.031 0.047 0.055 0.052 0.070 0.065 0.056 0.078 0.033 0.072 0.047 0.057 0.062 0.016 0.065 0.132 0.038 0.070 0.062
RMS PSI Viol : 0.008 0.010 0.041 0.015 0.024 0.057 0.033 0.032 0.033 0.031 0.043 0.005 0.048 0.037 0.016 0.077 0.029 0.114 0.032 0.065 0.045
Final --global-- Summary for 20 models, 210 ACOs/model, 4200 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 43.91
Summ. Sq. Viol. : 12.20
Max. Viol. : 1.070
Avg. Viol. : 0.01046
RMS Viol. : 0.05389
Std. Dev. Viol. : 0.05286
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 0.265 0.167 0.283 0.782
ARG A 2 0.519 0.340 0.270 0.931 0.221 0.683 0.999
LYS A 3 0.258 0.900 0.205 0.892 0.302 0.270
ILE A 4 0.916 0.988 0.998 0.999 4 4
ASP A 5 0.998 0.992 0.707 0.550 5 5
LEU A 6 0.994 0.988 0.999 0.997 6 6
CYS A 7 0.999 0.993 0.463 7 7
LEU A 8 0.988 0.992 0.962 0.930 8 8
SER A 9 0.998 0.998 0.130 9 9
SER A 10 0.991 0.995 0.474 10 10
GLU A 11 0.995 0.981 0.892 0.991 0.989 11 11
GLY A 12 0.971 0.990 12 12
SER A 13 0.965 0.975 0.861 13 13
GLU A 14 0.978 0.970 0.537 0.552 0.392 14 14
VAL A 15 0.986 0.967 0.589 15 15
ILE A 16 0.974 0.968 0.941 0.998 16 16
LEU A 17 0.998 0.106 0.876 0.691
ALA A 18 0.170 0.955
THR A 19 0.993 0.957 0.689 19 19
SER A 20 0.927 0.907 0.309 20 20
SER A 21 0.908 0.957 0.199 21 21
ASP A 22 0.970 0.995 0.877 0.363 22 22
GLU A 23 0.983 0.984 0.541 0.322 0.468 23 23
LYS A 24 0.989 0.978 0.730 0.725 0.363 0.062 24 24
HIS A 25 0.988 0.995 0.935 0.058 25 25
PRO A 26 0.986 0.978 0.964 0.915 26 26
PRO A 27 0.995 0.987 0.975 0.951 27 27
GLU A 28 0.989 0.990 0.510 0.221 0.487 28 28
ASN A 29 0.982 0.974 0.593 0.137 29 29
ILE A 30 0.993 0.983 0.629 0.997 30 30
ILE A 31 0.960 0.746 0.855 0.998
ASP A 32 0.412 0.958 0.862 0.719
GLY A 33 0.963 0.907 33 33
ASN A 34 0.953 0.981 0.786 0.561 34 34
PRO A 35 0.991 0.940 0.948 0.878 35 35
GLU A 36 0.977 0.944 0.534 0.414 0.206 36 36
THR A 37 0.925 0.906 0.412 37 37
PHE A 38 0.935 0.975 0.979 0.127 38 38
TRP A 39 0.982 0.983 0.993 0.995 39 39
THR A 40 0.980 0.985 0.835 40 40
THR A 41 0.982 0.977 0.409 41 41
THR A 42 0.997 0.941 0.895 42 42
GLY A 43 0.974 0.943 43 43
MET A 44 0.964 0.978 0.565 0.516 0.515 44 44
PHE A 45 0.980 0.989 0.996 0.232 45 45
PRO A 46 0.996 0.987 0.960 0.906 46 46
GLN A 47 0.987 0.952 0.390 0.550 0.122 47 47
GLU A 48 0.967 0.975 0.857 0.921 0.530 48 48
PHE A 49 0.992 0.993 0.999 0.900 49 49
ILE A 50 0.996 0.988 0.998 1.000 50 50
ILE A 51 0.991 0.996 0.998 0.999 51 51
CYS A 52 0.994 0.992 0.349 52 52
PHE A 53 0.996 0.996 0.997 0.998 53 53
HIS A 54 0.999 0.981 0.785 0.830 54 54
LYS A 55 0.980 0.987 0.851 0.995 0.848 0.671 55 55
HIS A 56 0.992 0.996 0.681 0.391 56 56
VAL A 57 0.994 0.983 0.996 57 57
ARG A 58 0.971 0.991 0.721 0.768 0.072 0.589 0.998 58 58
ILE A 59 0.998 0.994 0.998 1.000 59 59
GLU A 60 0.987 0.970 0.545 0.439 0.433 60 60
ARG A 61 0.985 0.990 0.438 0.843 0.212 0.628 0.996 61 61
LEU A 62 0.990 0.983 0.994 0.764 62 62
VAL A 63 0.987 0.996 0.999 63 63
ILE A 64 0.992 0.983 0.997 0.545 64 64
GLN A 65 0.989 0.999 0.584 0.941 0.538 65 65
SER A 66 0.986 0.976 0.538 66 66
TYR A 67 0.980 0.980 0.708 0.425 67 67
PHE A 68 0.996 0.619 0.988 0.988
VAL A 69 0.452 0.847 0.987
GLN A 70 0.831 0.982 0.857 0.848 0.184 70
THR A 71 0.978 0.996 0.783 71 71
LEU A 72 0.995 0.997 0.998 0.998 72 72
LYS A 73 0.996 0.985 0.562 0.914 0.641 0.116 73 73
ILE A 74 0.990 0.992 0.999 0.997 74 74
GLU A 75 0.994 0.994 0.852 0.692 0.596 75 75
LYS A 76 0.992 0.983 0.561 0.959 0.447 0.393 76 76
SER A 77 0.983 0.991 0.558 77 77
THR A 78 0.989 0.991 0.774 78 78
SER A 79 0.996 0.888 0.369 79
LYS A 80 0.886 0.974 0.178 0.786 0.228 0.444 80
GLU A 81 0.977 0.990 0.856 0.318 0.322 81 81
PRO A 82 0.997 0.989 0.944 0.875 82 82
VAL A 83 0.995 0.973 1.000 83 83
ASP A 84 0.996 0.878 0.892 0.636 84
PHE A 85 0.888 0.931 0.903 0.273 85
GLU A 86 0.949 0.982 0.323 0.593 0.363 86 86
GLN A 87 0.990 0.977 0.125 0.576 0.256 87 87
TRP A 88 0.963 0.992 0.998 0.994 88 88
ILE A 89 0.996 0.949 0.741 0.997 89 89
GLU A 90 0.959 0.975 0.404 0.745 0.450 90 90
LYS A 91 0.969 0.953 0.698 0.410 0.667 0.225 91 91
ASP A 92 0.975 0.969 0.840 0.708 92 92
LEU A 93 0.961 0.927 0.411 0.688 93 93
VAL A 94 0.964 0.952 0.854 94 94
HIS A 95 0.969 0.968 0.704 0.715 95 95
THR A 96 0.942 0.985 0.975 96 96
GLU A 97 0.973 0.983 0.168 0.304 0.364 97 97
GLY A 98 0.979 0.913 98 98
GLN A 99 0.941 0.980 0.462 0.583 0.182 99 99
LEU A 100 0.989 0.982 0.783 0.738 100 100
GLN A 101 0.969 0.926 0.571 0.227 0.177 101 101
ASN A 102 0.972 0.971 0.864 0.637 102 102
GLU A 103 0.995 0.974 0.777 0.080 0.356 103 103
GLU A 104 0.988 0.993 0.439 0.565 0.336 104 104
ILE A 105 0.984 0.985 0.998 0.787 105 105
VAL A 106 0.991 0.991 0.135 106 106
ALA A 107 0.978 0.980 107 107
HIS A 108 0.994 0.994 0.595 0.555 108 108
GLY A 109 0.999 0.959 109 109
SER A 110 0.956 0.988 0.892 110 110
ALA A 111 0.993 0.988 111 111
THR A 112 0.987 0.998 0.916 112 112
TYR A 113 0.998 0.995 0.996 0.802 113 113
LEU A 114 0.996 0.996 0.952 0.937 114 114
ARG A 115 0.999 0.994 0.980 0.938 0.408 0.637 0.998 115 115
PHE A 116 0.997 0.992 0.997 0.096 116 116
ILE A 117 0.990 0.997 0.998 0.953 117 117
ILE A 118 0.998 0.994 0.999 1.000 118 118
VAL A 119 0.993 0.993 1.000 119 119
SER A 120 0.986 0.985 0.364 120 120
ALA A 121 0.995 0.994 121 121
PHE A 122 0.993 0.986 0.996 0.932 122 122
ASP A 123 0.987 0.984 0.858 0.146 123 123
HIS A 124 0.985 0.982 0.353 0.211 124 124
PHE A 125 0.974 0.971 0.623 0.887 125 125
ALA A 126 0.969 0.951 126 126
SER A 127 0.976 0.985 0.427 127 127
VAL A 128 0.964 0.985 0.996 128 128
HIS A 129 0.969 0.980 0.868 0.278 129 129
SER A 130 0.963 0.973 0.303 130 130
VAL A 131 0.986 0.913 0.931 131 131
SER A 132 0.925 0.991 0.651 132 132
ALA A 133 0.991 0.987 133 133
GLU A 134 0.998 0.964 0.930 0.962 0.639 134 134
GLY A 135 0.953 0.985 135 135
THR A 136 0.996 0.982 0.935 136 136
VAL A 137 0.985 0.979 0.194 137 137
VAL A 138 0.971 0.983 0.922 138 138
SER A 139 0.949 0.946 0.298 139 139
ASN A 140 0.970 0.716 0.695 0.494
LEU A 141 0.909 0.463 0.423 0.310
SER A 142 0.832 0.543 0.344
SER A 143 0.854 0.579
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 `HR1958_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 1 is: 0.569 (*)
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 2 is: 0.775
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 3 is: 0.696
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 4 is: 0.673
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 5 is: 0.800
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 6 is: 0.602
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 7 is: 0.826
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 8 is: 0.618
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 9 is: 0.753
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 10 is: 0.724
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 11 is: 0.800
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 12 is: 0.746
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 13 is: 0.706
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 14 is: 0.822
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 15 is: 0.649
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 16 is: 0.762
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 17 is: 0.837
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 18 is: 0.801
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 19 is: 0.621
> Kabsch RMSD of backbone atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 20 is: 0.629
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[4..16],[19..30],[33..67],[71..78],[81..83],[86..139], is: 0.720
> Range of RMSD values to reference struct. is 0.569 to 0.837
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 1 is: 1.057
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 2 is: 1.162
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 3 is: 1.195
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 4 is: 1.202
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 5 is: 1.218
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 6 is: 1.103
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 7 is: 1.212
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 8 is: 1.047 (*)
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 9 is: 1.190
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 10 is: 1.201
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 11 is: 1.251
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 12 is: 1.177
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 13 is: 1.232
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 14 is: 1.225
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 15 is: 1.115
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 16 is: 1.143
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 17 is: 1.219
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 18 is: 1.500
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 19 is: 1.174
> Kabsch RMSD of heavy atoms in res. A[4..16],A[19..30],A[33..67],A[71..78],A[81..83],A[86..139],for model 20 is: 1.071
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[4..16],[19..30],[33..67],[71..78],[81..83],[86..139], is: 1.185
> Range of RMSD values to reference struct. is 1.047 to 1.500
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..143],for model 1 is: 0.665 (*)
> Kabsch RMSD of backb atoms in res. *[1..143],for model 2 is: 1.082
> Kabsch RMSD of backb atoms in res. *[1..143],for model 3 is: 0.828
> Kabsch RMSD of backb atoms in res. *[1..143],for model 4 is: 0.891
> Kabsch RMSD of backb atoms in res. *[1..143],for model 5 is: 1.161
> Kabsch RMSD of backb atoms in res. *[1..143],for model 6 is: 0.893
> Kabsch RMSD of backb atoms in res. *[1..143],for model 7 is: 0.928
> Kabsch RMSD of backb atoms in res. *[1..143],for model 8 is: 0.822
> Kabsch RMSD of backb atoms in res. *[1..143],for model 9 is: 1.070
> Kabsch RMSD of backb atoms in res. *[1..143],for model 10 is: 0.859
> Kabsch RMSD of backb atoms in res. *[1..143],for model 11 is: 1.139
> Kabsch RMSD of backb atoms in res. *[1..143],for model 12 is: 0.864
> Kabsch RMSD of backb atoms in res. *[1..143],for model 13 is: 0.781
> Kabsch RMSD of backb atoms in res. *[1..143],for model 14 is: 1.077
> Kabsch RMSD of backb atoms in res. *[1..143],for model 15 is: 0.847
> Kabsch RMSD of backb atoms in res. *[1..143],for model 16 is: 0.885
> Kabsch RMSD of backb atoms in res. *[1..143],for model 17 is: 1.076
> Kabsch RMSD of backb atoms in res. *[1..143],for model 18 is: 0.899
> Kabsch RMSD of backb atoms in res. *[1..143],for model 19 is: 1.052
> Kabsch RMSD of backb atoms in res. *[1..143],for model 20 is: 1.096
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..143], is: 0.946
> Range of RMSD values to reference struct. is 0.665 to 1.161
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 1 is: 1.210 (*)
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 2 is: 1.435
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 3 is: 1.288
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 4 is: 1.359
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 5 is: 1.498
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 6 is: 1.300
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 7 is: 1.350
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 8 is: 1.304
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 9 is: 1.432
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 10 is: 1.379
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 11 is: 1.560
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 12 is: 1.301
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 13 is: 1.285
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 14 is: 1.415
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 15 is: 1.294
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 16 is: 1.243
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 17 is: 1.415
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 18 is: 1.569
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 19 is: 1.462
> Kabsch RMSD of heavy atoms in res. *[1..143],for model 20 is: 1.438
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..143], is: 1.377
> Range of RMSD values to reference struct. is 1.210 to 1.569
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 0.9 0.7 0.7
All heavy atoms 1.4 1.2 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 >>>----------+
| |
| HR1958_NMR_em_bcr3_020.rin 0.0 2600 residues |
| |
*| Ramachandran plot: 85.5% core 13.7% allow 0.7% gener 0.1% disall |
| |
+| All Ramachandrans: 51 labelled residues (out of2600) |
+| Chi1-chi2 plots: 25 labelled residues (out of1540) |
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
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
4 -0.71
5 -0.81
6 -0.82
7 -0.42
8 -0.36
9 0.77
10 0.65
11 -0.52
12 0.33
13 -0.32
14 -0.76
15 -0.40
16 -0.55
19 0.31
20 -0.88
21 -0.97
22 -0.79
23 -0.08
24 -0.43
25 -1.03
26 -0.77
27 -0.42
28 0.26
29 0.31
30 0.05
33 -0.41
34 -0.29
35 -1.59
36 -0.53
37 -0.72
38 -0.35
39 -0.38
40 0.14
41 -0.25
42 -1.51
43 -0.12
44 -1.15
45 -0.04
46 -0.61
47 -0.53
48 -0.80
49 -0.28
50 0.16
51 0.18
52 0.10
53 -0.07
54 -2.09
55 -1.47
56 -0.62
57 -0.37
58 -0.64
59 -0.20
60 -1.72
61 -0.80
62 -0.39
63 -1.12
64 -0.16
65 -1.09
66 -0.28
67 0.30
70 -2.89
71 -1.11
72 -0.65
73 -0.63
74 -0.56
75 -0.49
76 -0.30
77 -0.18
78 -0.86
80 -0.39
81 -0.87
82 -2.82
83 -1.32
84 -2.30
85 -0.38
86 -0.61
87 -1.13
88 -2.60
89 -1.60
90 -0.97
91 -0.48
92 -0.50
93 -0.78
94 -0.63
95 -1.60
96 -0.25
97 -0.90
98 0.27
99 -0.62
100 -0.79
101 -1.13
102 -0.33
103 -0.88
104 -1.34
105 -0.73
106 -2.26
107 -1.52
108 -0.62
109 -0.60
110 -0.45
111 -0.61
112 -1.15
113 0.33
114 -0.10
115 -0.85
116 -0.78
117 -0.84
118 -1.35
119 0.31
120 -0.06
121 -0.93
122 0.04
123 -1.55
124 0.07
125 -0.23
126 -1.11
127 -0.46
128 0.06
129 -1.63
130 -1.29
131 -0.68
132 -0.21
133 -1.35
134 -0.68
135 -1.80
136 -0.05
137 -0.58
138 -1.40
139 -0.93
#Reported_Model_Average -0.672
#Overall_Average_Reported -0.672
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
4 -1.01
5 -1.02
6 -0.21
7 -0.04
8 0.01
9 0.25
10 0.25
11 -0.52
12 0.33
13 -0.21
14 -0.23
15 -0.58
16 -0.92
19 -0.08
20 -0.54
21 -0.55
22 -0.81
23 -0.02
24 -0.03
25 -0.44
26 -0.77
27 -0.42
28 0.06
29 -0.11
30 -0.03
33 -0.41
34 -0.22
35 -1.59
36 -0.12
37 -0.64
38 -0.52
39 0.01
40 -0.27
41 -0.19
42 -1.11
43 -0.12
44 -0.40
45 0.23
46 -0.61
47 -0.44
48 -0.59
49 -0.19
50 0.29
51 0.24
52 0.22
53 0.36
54 -1.23
55 -0.83
56 -0.38
57 -0.49
58 -0.25
59 0.29
60 -0.91
61 -0.25
62 -0.71
63 -0.32
64 -0.18
65 -0.30
66 -0.26
67 -0.72
70 -1.25
71 -0.59
72 -0.30
73 -0.26
74 -0.03
75 -0.53
76 -0.19
77 -0.07
78 -0.75
80 -0.23
81 -0.35
82 -2.82
83 -0.80
84 -1.53
85 -0.26
86 -0.28
87 -0.87
88 -1.67
89 -1.33
90 -0.31
91 -0.68
92 -0.85
93 -0.76
94 -0.24
95 -1.52
96 -0.50
97 -0.68
98 0.27
99 -0.14
100 -1.06
101 -0.53
102 -0.67
103 -0.56
104 -0.64
105 -0.18
106 -1.39
107 -1.52
108 -0.65
109 -0.60
110 -0.40
111 -0.61
112 -1.00
113 0.32
114 0.20
115 -0.31
116 -0.36
117 -0.23
118 -0.52
119 0.33
120 -0.01
121 -0.93
122 0.28
123 -1.47
124 0.12
125 0.09
126 -1.11
127 -0.32
128 -0.46
129 -1.23
130 -0.74
131 -0.54
132 -0.04
133 -1.35
134 0.05
135 -1.80
136 -0.34
137 -0.41
138 -0.74
139 -0.47
#Reported_Model_Average -0.477
#Overall_Average_Reported -0.477
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
4 -0.35 -0.35 -0.35 -0.35 -0.35 0.26 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35
5 -0.03 -0.61 -0.03 -0.03 -0.61 -0.03 -0.03 -0.03 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.03 -0.61 -0.03
6 1.06 0.77 0.77 1.06 0.77 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 0.77 0.77 0.77
7 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 -0.81 1.29 1.29 1.29 1.29 -0.81 1.29 1.29
8 0.29 -0.68 -0.68 -0.68 -0.68 -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
9 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
10 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
11 0.28 -0.46 -0.46 0.28 0.28 -0.46 -0.46 -0.46 0.28 -0.46 0.28 0.28 -1.13 -0.59 -0.59 0.28 -1.13 -0.46 -0.46 -0.46
12 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
13 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 0.17 0.59 0.59 0.59 0.59 0.59
14 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
15 1.18 1.18 0.71 0.71 1.18 0.71 1.18 1.18 1.18 0.71 1.18 0.71 1.18 1.18 1.18 0.71 0.71 0.44 0.71 1.18
16 0.09 0.09 1.07 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 1.07 0.09 0.09 0.09 0.09 0.09 0.09
19 0.08 0.08 0.55 0.55 0.55 0.55 0.08 0.55 0.08 0.55 0.08 0.55 0.08 0.08 0.08 0.55 0.08 0.55 0.55 0.08
20 0.59 0.17 0.17 0.59 0.59 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.59 0.17 0.17 0.17
21 0.17 0.17 0.34 0.59 0.17 0.17 0.17 0.17 0.17 0.34 0.17 0.17 0.59 0.17 0.34 0.17 0.17 0.17 0.17 0.17
22 0.34 0.51 0.34 0.51 0.34 0.34 0.51 0.51 0.51 0.34 0.51 0.34 0.51 0.34 0.51 0.51 0.51 0.51 0.51 0.51
23 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04
24 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
25 0.20 0.20 1.04 0.20 0.20 1.04 0.20 0.20 0.20 1.04 0.20 0.20 1.04 1.04 0.20 0.20 1.04 0.20 1.04 1.04
26 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
27 -0.11 0.64 -0.11 0.64 0.64 -0.07 0.64 0.59 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 -0.07 0.64 0.64 0.64
28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.04 0.28 -0.59 0.04 0.28 0.28 0.28 0.28 0.04 0.28
29 0.09 0.51 0.51 0.09 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 -0.26 -0.26 -0.26 0.51 0.51 -0.26 0.51 -0.26
30 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
33 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
34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
35 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.25 0.44 0.25 0.25 0.25 0.44 0.44 0.25 0.25 0.44 0.25
36 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.28 0.04 0.04 0.04 0.04 0.28 0.04 0.04
37 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
38 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -1.29 0.71 0.71 0.71 -0.84 -0.84 -0.84 -0.84
39 0.83 0.83 0.83 0.83 0.83 0.92 0.83 0.83 0.83 0.83 0.83 0.92 0.83 0.92 0.07 0.83 0.83 0.92 0.92 0.92
40 0.95 0.95 0.79 0.79 0.79 0.95 0.95 0.95 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.95 0.95 0.95
41 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
42 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
43 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
44 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -1.30 -0.83 -0.83 -0.83 -1.30 -0.83 -0.83 -1.30 -0.83 -1.30
45 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
46 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
47 -2.03 -2.03 -2.03 -2.03 -2.03 -2.03 -0.79 -0.79 -0.79 -0.79 -0.79 -0.79 -2.03 -2.03 -2.03 -2.03 -2.03 0.52 -0.79 -0.79
48 -0.42 0.41 0.41 -0.68 0.41 -0.68 -0.42 -0.20 0.41 0.41 -0.42 -0.20 0.41 -0.68 -0.68 -0.20 -0.42 -0.20 -0.68 0.41
49 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
50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
51 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
52 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
53 0.96 0.96 0.96 0.96 0.96 1.32 0.96 1.32 0.96 0.96 0.96 0.96 1.32 1.32 0.96 0.96 0.96 0.96 0.96 1.32
54 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 0.80 -0.49 0.80 -0.53 -0.49 -0.49 -0.49 -0.53 -0.49 -0.49 -0.49 -0.49
55 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35
56 -0.49 -0.49 -0.49 -0.49 -0.49 0.80 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.53 -0.49 -0.49
57 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
58 0.19 0.84 0.84 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.84 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.19 0.19
59 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
60 -0.42 -0.42 0.41 -0.42 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 -0.68 -0.42 -0.42 -0.68 -0.42 -0.42 -0.42 -0.42 0.41
61 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 -0.41 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84
62 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
63 0.44 0.08 0.44 0.44 0.44 0.08 0.44 0.08 0.08 0.08 0.16 0.08 0.08 0.08 0.08 0.08 0.08 0.44 0.08 0.08
64 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
65 0.52 -0.79 0.52 0.10 0.52 0.10 0.52 0.10 0.10 0.10 0.52 -2.38 -2.38 -2.38 0.10 0.10 -0.79 0.52 0.52 0.52
66 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
67 1.09 1.09 1.30 1.09 1.09 1.09 1.09 1.09 1.09 -0.09 1.09 -0.30 1.09 1.09 -0.09 1.09 1.09 -0.30 1.09 1.09
70 0.10 0.10 0.10 0.10 0.10 0.10 -2.38 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
71 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79
72 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
73 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 -0.83 -2.01 0.35 0.35 0.35 -0.83 0.35 0.35 0.35 0.35 0.35 0.35
74 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
75 -0.20 -0.42 -0.20 -0.20 -0.20 -1.59 -0.20 -0.42 -0.42 -0.20 -0.20 -0.42 -0.20 -0.42 -0.20 -0.20 -1.59 -0.20 -0.42 -0.42
76 0.35 0.35 0.35 0.35 0.35 -0.83 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35
77 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
78 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
79 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.34 0.17 0.34 0.34 0.17 0.17 0.17 0.34 0.17 0.17
80 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 0.47 -0.10 -0.10
81 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 0.04 0.28 0.04 0.28 0.28 0.28
82 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
83 -0.74 -0.74 -0.74 -0.09 -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
84 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
85 0.71 0.71 0.71 0.71 0.71 0.71 -0.84 0.71 0.71 0.71 1.04 1.04 1.04 0.71 0.71 0.71 1.04 1.04 0.71 1.04
86 -0.37 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 -0.37 -0.37 -0.37 -0.37
87 0.10 -0.12 0.10 -0.12 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
88 0.92 0.83 0.92 0.83 0.92 0.92 0.92 0.92 0.83 0.83 0.92 0.83 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92
89 0.09 0.09 1.07 1.07 1.07 1.07 0.09 1.07 1.07 1.07 0.09 1.07 1.50 0.09 1.07 1.50 1.07 1.50 0.09 1.07
90 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
91 0.35 0.35 0.55 0.55 0.35 -2.01 0.55 0.55 0.35 0.55 -0.83 0.35 0.35 0.55 0.55 0.55 -2.01 -0.83 -0.83 -2.01
92 -0.30 -0.30 -0.30 -0.03 -0.30 -0.30 -0.30 -0.30 -0.30 -0.03 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.03 -0.30 -0.30
93 0.29 1.06 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.77 0.29 0.77 0.29 0.29 0.29 1.06 -0.33 0.29 0.29
94 -0.80 -0.80 -0.80 -0.74 -0.74 -0.74 -0.80 -0.80 -0.80 -0.80 -0.74 -0.80 -0.74 -0.80 -0.80 -0.74 -0.74 -0.40 -0.80 -0.80
95 1.04 0.20 0.20 0.20 0.20 0.20 1.04 0.20 1.04 1.04 0.20 0.20 1.04 1.04 0.20 0.20 1.04 0.20 0.20 0.20
96 0.55 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08
97 0.28 0.04 0.04 0.28 0.04 0.28 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04 0.04 0.28 0.04 0.04 0.28
98 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
99 -0.03 0.25 -0.03 0.25 0.25 0.25 -0.03 0.25 -0.03 0.25 -0.03 0.25 -0.03 0.25 -0.03 0.25 0.25 0.25 -0.03 0.25
100 -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 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68
101 0.10 0.52 0.52 0.10 0.52 0.10 0.10 0.52 0.10 0.10 0.10 0.10 0.52 0.10 0.10 0.52 0.52 0.52 -0.12 0.10
102 0.00 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.92 0.00
103 -0.42 -0.42 -0.68 -0.42 0.41 -0.42 -0.42 -0.42 -0.42 -1.59 -0.42 -0.42 -0.42 0.41 -0.42 -0.42 -0.42 0.41 0.41 0.41
104 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
105 1.07 1.50 1.07 1.50 1.50 1.50 1.50 1.07 1.07 1.50 1.50 1.50 1.07 1.07 1.50 1.50 1.50 1.50 1.50 1.50
106 -0.74 -0.74 -0.80 -0.74 -0.74 -0.80 -0.74 -0.74 -0.80 -0.74 -0.74 -0.74 -0.74 -0.80 -0.80 -0.74 -0.74 -0.74 -0.74 -0.80
107 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
108 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20
109 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
110 0.65 0.65 0.49 0.49 0.65 0.49 0.49 0.65 0.65 0.65 0.49 0.65 0.49 0.65 0.49 0.65 0.65 0.65 0.65 0.65
111 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
112 0.95 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.79 0.95 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
113 1.09 1.30 1.30 1.30 0.17 1.30 1.30 1.09 1.30 1.09 1.30 1.09 1.30 1.30 1.09 1.30 1.09 1.30 1.30 1.30
114 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
115 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.84 -0.41 0.84 -0.41 -0.41 -0.41 -0.41 0.84 0.84 -0.41
116 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
117 1.07 0.26 1.07 1.07 1.07 1.07 0.26 1.07 1.07 0.26 1.07 0.26 1.07 1.07 1.07 1.50 1.07 1.07 1.07 1.07
118 1.50 1.50 1.07 1.50 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.50 1.50
119 0.08 0.44 0.44 0.08 0.08 0.08 0.08 0.44 0.44 0.08 0.44 0.44 0.08 0.44 0.44 0.44 0.44 0.44 0.08 0.08
120 0.65 0.49 0.49 0.49 0.49 0.49 0.65 0.49 0.49 0.49 0.65 0.49 0.65 0.65 0.65 0.49 0.49 0.49 0.49 0.49
121 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
122 0.71 0.71 0.71 0.71 -0.84 0.71 -0.84 0.71 0.71 -0.84 0.71 0.71 0.71 0.71 0.71 0.71 -0.84 -0.84 0.71 -0.84
123 0.51 0.51 0.34 0.51 0.34 0.34 0.51 0.51 0.34 0.34 0.51 0.51 0.51 0.34 0.51 0.34 0.51 0.51 0.51 0.51
124 0.20 0.20 0.20 0.20 -0.41 -0.41 0.20 0.20 -0.41 0.20 0.20 0.20 -0.41 -0.41 0.20 -0.41 0.20 0.20 0.20 0.20
125 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84
126 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
127 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
128 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
129 0.80 0.80 -0.05 0.80 0.80 0.80 0.80 0.80 -0.49 0.80 0.80 0.80 0.80 0.80 -0.05 -0.49 -0.49 0.80 -0.49 0.80
130 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.65 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
131 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 0.71 1.18 1.18 1.18 1.18 1.18
132 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
133 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
134 -0.68 -0.42 -0.42 -0.42 -0.20 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.20 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42
135 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
136 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
137 0.08 0.44 0.08 0.08 0.16 0.08 0.44 0.71 0.08 0.71 0.08 0.44 0.08 0.08 0.44 0.44 0.71 0.08 0.08 0.08
138 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
139 0.65 0.65 0.65 0.65 0.49 0.65 0.49 0.65 0.65 0.49 0.65 0.49 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.49
#Reported_Model_Average 0.424 0.409 0.452 0.444 0.420 0.407 0.396 0.456 0.432 0.387 0.470 0.400 0.402 0.406 0.404 0.446 0.370 0.421 0.403 0.417
#Overall_Average_Reported 0.418
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
4 -0.35 -0.35 -0.35 -0.35 -0.35 0.26 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35
5 -0.03 -0.61 -0.03 -0.03 -0.61 -0.03 -0.03 -0.03 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.03 -0.61 -0.03
6 1.06 0.77 0.77 1.06 0.77 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 0.77 0.77 0.77
7 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 -0.81 1.29 1.29 1.29 1.29 -0.81 1.29 1.29
8 0.29 -0.68 -0.68 -0.68 -0.68 -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
9 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
10 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
11 0.28 -0.46 -0.46 0.28 0.28 -0.46 -0.46 -0.46 0.28 -0.46 0.28 0.28 -1.13 -0.59 -0.59 0.28 -1.13 -0.46 -0.46 -0.46
12 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
13 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 0.17 0.59 0.59 0.59 0.59 0.59
14 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
15 1.18 1.18 0.71 0.71 1.18 0.71 1.18 1.18 1.18 0.71 1.18 0.71 1.18 1.18 1.18 0.71 0.71 0.44 0.71 1.18
16 0.09 0.09 1.07 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 1.07 0.09 0.09 0.09 0.09 0.09 0.09
19 0.08 0.08 0.55 0.55 0.55 0.55 0.08 0.55 0.08 0.55 0.08 0.55 0.08 0.08 0.08 0.55 0.08 0.55 0.55 0.08
20 0.59 0.17 0.17 0.59 0.59 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.59 0.17 0.17 0.17
21 0.17 0.17 0.34 0.59 0.17 0.17 0.17 0.17 0.17 0.34 0.17 0.17 0.59 0.17 0.34 0.17 0.17 0.17 0.17 0.17
22 0.34 0.51 0.34 0.51 0.34 0.34 0.51 0.51 0.51 0.34 0.51 0.34 0.51 0.34 0.51 0.51 0.51 0.51 0.51 0.51
23 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04
24 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
25 0.20 0.20 1.04 0.20 0.20 1.04 0.20 0.20 0.20 1.04 0.20 0.20 1.04 1.04 0.20 0.20 1.04 0.20 1.04 1.04
26 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
27 -0.11 0.64 -0.11 0.64 0.64 -0.07 0.64 0.59 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 -0.07 0.64 0.64 0.64
28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.04 0.28 -0.59 0.04 0.28 0.28 0.28 0.28 0.04 0.28
29 0.09 0.51 0.51 0.09 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 -0.26 -0.26 -0.26 0.51 0.51 -0.26 0.51 -0.26
30 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
33 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
34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
35 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.25 0.44 0.25 0.25 0.25 0.44 0.44 0.25 0.25 0.44 0.25
36 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.28 0.04 0.04 0.04 0.04 0.28 0.04 0.04
37 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
38 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -1.29 0.71 0.71 0.71 -0.84 -0.84 -0.84 -0.84
39 0.83 0.83 0.83 0.83 0.83 0.92 0.83 0.83 0.83 0.83 0.83 0.92 0.83 0.92 0.07 0.83 0.83 0.92 0.92 0.92
40 0.95 0.95 0.79 0.79 0.79 0.95 0.95 0.95 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.95 0.95 0.95
41 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
42 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
43 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
44 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -1.30 -0.83 -0.83 -0.83 -1.30 -0.83 -0.83 -1.30 -0.83 -1.30
45 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
46 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
47 -2.03 -2.03 -2.03 -2.03 -2.03 -2.03 -0.79 -0.79 -0.79 -0.79 -0.79 -0.79 -2.03 -2.03 -2.03 -2.03 -2.03 0.52 -0.79 -0.79
48 -0.42 0.41 0.41 -0.68 0.41 -0.68 -0.42 -0.20 0.41 0.41 -0.42 -0.20 0.41 -0.68 -0.68 -0.20 -0.42 -0.20 -0.68 0.41
49 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
50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
51 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
52 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
53 0.96 0.96 0.96 0.96 0.96 1.32 0.96 1.32 0.96 0.96 0.96 0.96 1.32 1.32 0.96 0.96 0.96 0.96 0.96 1.32
54 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 0.80 -0.49 0.80 -0.53 -0.49 -0.49 -0.49 -0.53 -0.49 -0.49 -0.49 -0.49
55 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35
56 -0.49 -0.49 -0.49 -0.49 -0.49 0.80 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.53 -0.49 -0.49
57 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
58 0.19 0.84 0.84 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.84 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.19 0.19
59 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
60 -0.42 -0.42 0.41 -0.42 0.41 0.41 0.41 0.41 -0.42 0.41 0.41 -0.68 -0.42 -0.42 -0.68 -0.42 -0.42 -0.42 -0.42 0.41
61 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 -0.41 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84
62 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
63 0.44 0.08 0.44 0.44 0.44 0.08 0.44 0.08 0.08 0.08 0.16 0.08 0.08 0.08 0.08 0.08 0.08 0.44 0.08 0.08
64 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
65 0.52 -0.79 0.52 0.10 0.52 0.10 0.52 0.10 0.10 0.10 0.52 -2.38 -2.38 -2.38 0.10 0.10 -0.79 0.52 0.52 0.52
66 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
67 1.09 1.09 1.30 1.09 1.09 1.09 1.09 1.09 1.09 -0.09 1.09 -0.30 1.09 1.09 -0.09 1.09 1.09 -0.30 1.09 1.09
70 0.10 0.10 0.10 0.10 0.10 0.10 -2.38 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
71 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79
72 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
73 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 -0.83 -2.01 0.35 0.35 0.35 -0.83 0.35 0.35 0.35 0.35 0.35 0.35
74 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
75 -0.20 -0.42 -0.20 -0.20 -0.20 -1.59 -0.20 -0.42 -0.42 -0.20 -0.20 -0.42 -0.20 -0.42 -0.20 -0.20 -1.59 -0.20 -0.42 -0.42
76 0.35 0.35 0.35 0.35 0.35 -0.83 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35
77 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
78 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
79 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.34 0.17 0.34 0.34 0.17 0.17 0.17 0.34 0.17 0.17
80 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 0.47 -0.10 -0.10
81 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 0.04 0.28 0.04 0.28 0.28 0.28
82 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
83 -0.74 -0.74 -0.74 -0.09 -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
84 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
85 0.71 0.71 0.71 0.71 0.71 0.71 -0.84 0.71 0.71 0.71 1.04 1.04 1.04 0.71 0.71 0.71 1.04 1.04 0.71 1.04
86 -0.37 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 -0.37 -0.37 -0.37 -0.37
87 0.10 -0.12 0.10 -0.12 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
88 0.92 0.83 0.92 0.83 0.92 0.92 0.92 0.92 0.83 0.83 0.92 0.83 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92
89 0.09 0.09 1.07 1.07 1.07 1.07 0.09 1.07 1.07 1.07 0.09 1.07 1.50 0.09 1.07 1.50 1.07 1.50 0.09 1.07
90 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
91 0.35 0.35 0.55 0.55 0.35 -2.01 0.55 0.55 0.35 0.55 -0.83 0.35 0.35 0.55 0.55 0.55 -2.01 -0.83 -0.83 -2.01
92 -0.30 -0.30 -0.30 -0.03 -0.30 -0.30 -0.30 -0.30 -0.30 -0.03 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.03 -0.30 -0.30
93 0.29 1.06 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.77 0.29 0.77 0.29 0.29 0.29 1.06 -0.33 0.29 0.29
94 -0.80 -0.80 -0.80 -0.74 -0.74 -0.74 -0.80 -0.80 -0.80 -0.80 -0.74 -0.80 -0.74 -0.80 -0.80 -0.74 -0.74 -0.40 -0.80 -0.80
95 1.04 0.20 0.20 0.20 0.20 0.20 1.04 0.20 1.04 1.04 0.20 0.20 1.04 1.04 0.20 0.20 1.04 0.20 0.20 0.20
96 0.55 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08
97 0.28 0.04 0.04 0.28 0.04 0.28 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04 0.04 0.28 0.04 0.04 0.28
98 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
99 -0.03 0.25 -0.03 0.25 0.25 0.25 -0.03 0.25 -0.03 0.25 -0.03 0.25 -0.03 0.25 -0.03 0.25 0.25 0.25 -0.03 0.25
100 -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 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68
101 0.10 0.52 0.52 0.10 0.52 0.10 0.10 0.52 0.10 0.10 0.10 0.10 0.52 0.10 0.10 0.52 0.52 0.52 -0.12 0.10
102 0.00 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.92 0.00
103 -0.42 -0.42 -0.68 -0.42 0.41 -0.42 -0.42 -0.42 -0.42 -1.59 -0.42 -0.42 -0.42 0.41 -0.42 -0.42 -0.42 0.41 0.41 0.41
104 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
105 1.07 1.50 1.07 1.50 1.50 1.50 1.50 1.07 1.07 1.50 1.50 1.50 1.07 1.07 1.50 1.50 1.50 1.50 1.50 1.50
106 -0.74 -0.74 -0.80 -0.74 -0.74 -0.80 -0.74 -0.74 -0.80 -0.74 -0.74 -0.74 -0.74 -0.80 -0.80 -0.74 -0.74 -0.74 -0.74 -0.80
107 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
108 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20
109 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
110 0.65 0.65 0.49 0.49 0.65 0.49 0.49 0.65 0.65 0.65 0.49 0.65 0.49 0.65 0.49 0.65 0.65 0.65 0.65 0.65
111 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
112 0.95 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.79 0.95 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
113 1.09 1.30 1.30 1.30 0.17 1.30 1.30 1.09 1.30 1.09 1.30 1.09 1.30 1.30 1.09 1.30 1.09 1.30 1.30 1.30
114 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
115 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.84 -0.41 0.84 -0.41 -0.41 -0.41 -0.41 0.84 0.84 -0.41
116 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
117 1.07 0.26 1.07 1.07 1.07 1.07 0.26 1.07 1.07 0.26 1.07 0.26 1.07 1.07 1.07 1.50 1.07 1.07 1.07 1.07
118 1.50 1.50 1.07 1.50 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.50 1.50
119 0.08 0.44 0.44 0.08 0.08 0.08 0.08 0.44 0.44 0.08 0.44 0.44 0.08 0.44 0.44 0.44 0.44 0.44 0.08 0.08
120 0.65 0.49 0.49 0.49 0.49 0.49 0.65 0.49 0.49 0.49 0.65 0.49 0.65 0.65 0.65 0.49 0.49 0.49 0.49 0.49
121 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
122 0.71 0.71 0.71 0.71 -0.84 0.71 -0.84 0.71 0.71 -0.84 0.71 0.71 0.71 0.71 0.71 0.71 -0.84 -0.84 0.71 -0.84
123 0.51 0.51 0.34 0.51 0.34 0.34 0.51 0.51 0.34 0.34 0.51 0.51 0.51 0.34 0.51 0.34 0.51 0.51 0.51 0.51
124 0.20 0.20 0.20 0.20 -0.41 -0.41 0.20 0.20 -0.41 0.20 0.20 0.20 -0.41 -0.41 0.20 -0.41 0.20 0.20 0.20 0.20
125 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84
126 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
127 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
128 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
129 0.80 0.80 -0.05 0.80 0.80 0.80 0.80 0.80 -0.49 0.80 0.80 0.80 0.80 0.80 -0.05 -0.49 -0.49 0.80 -0.49 0.80
130 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.65 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
131 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 0.71 1.18 1.18 1.18 1.18 1.18
132 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
133 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
134 -0.68 -0.42 -0.42 -0.42 -0.20 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.20 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42
135 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
136 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
137 0.08 0.44 0.08 0.08 0.16 0.08 0.44 0.71 0.08 0.71 0.08 0.44 0.08 0.08 0.44 0.44 0.71 0.08 0.08 0.08
138 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
139 0.65 0.65 0.65 0.65 0.49 0.65 0.49 0.65 0.65 0.49 0.65 0.49 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.49
#Reported_Model_Average 0.424 0.409 0.452 0.444 0.420 0.407 0.396 0.456 0.432 0.387 0.470 0.400 0.402 0.406 0.404 0.446 0.370 0.421 0.403 0.417
#Overall_Average_Reported 0.418
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
4.000 0 0 1 0 1 0 0 0 1 2 1 0 2 1 1 1 1 1 1 1
5.000 1 0 0 0 0 0 0 0 0 1 2 0 0 0 1 0 0 0 1 1
6.000 1 0 2 2 1 1 0 2 2 1 2 1 1 2 2 3 1 1 2 3
7.000 3 0 0 1 0 0 1 2 1 1 3 0 0 1 0 4 2 3 1 3
8.000 1 1 1 0 0 0 0 1 1 1 3 2 2 0 3 0 2 1 1 3
9.000 3 1 0 2 0 0 0 1 0 0 0 2 2 1 4 0 1 2 0 2
10.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
11.000 0 0 1 0 0 1 0 2 1 0 0 0 1 0 1 0 1 0 1 2
12.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
13.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1
14.000 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 2 0
15.000 0 0 0 1 0 0 1 1 2 1 1 1 0 1 0 0 0 1 0 1
16.000 3 1 2 1 2 1 3 2 4 1 2 1 1 3 1 2 1 3 1 1
19.000 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 1 1
20.000 1 0 0 0 0 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0
21.000 0 0 0 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
22.000 2 0 0 1 0 0 0 1 1 1 2 0 0 0 2 0 2 1 0 0
23.000 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
24.000 0 0 0 1 0 0 1 3 6 0 1 0 0 0 0 0 0 0 0 0
25.000 2 0 0 2 0 0 0 1 2 1 1 0 0 0 2 0 2 1 0 0
26.000 0 1 0 1 0 1 1 0 2 3 0 1 2 1 2 0 1 1 1 0
27.000 0 0 1 2 0 1 0 1 2 1 1 1 2 1 2 2 2 1 1 0
28.000 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0
29.000 1 2 0 2 3 1 0 2 2 2 0 2 1 2 0 0 0 0 1 0
30.000 0 3 2 0 0 0 0 1 3 1 3 2 0 0 1 2 3 1 0 0
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
34.000 0 0 0 1 0 0 0 0 1 0 1 1 0 0 1 0 0 2 0 2
35.000 0 1 0 2 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 1
36.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0
37.000 0 0 0 1 1 0 1 0 4 0 1 1 0 0 0 0 0 2 1 0
38.000 0 0 1 1 0 0 1 1 0 0 1 0 1 2 4 0 0 2 0 0
39.000 2 2 1 1 0 2 2 3 2 1 0 3 0 2 0 1 1 2 1 1
40.000 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0
41.000 0 0 2 0 1 2 3 1 3 1 1 0 0 0 1 3 2 1 1 1
42.000 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0
43.000 0 0 1 0 1 0 0 0 0 0 0 0 0 0 2 2 1 0 0 0
44.000 1 0 0 1 0 0 0 0 0 1 0 1 2 2 0 0 0 0 0 0
45.000 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 1 0 1 0
46.000 1 1 0 0 1 0 0 0 1 0 2 1 0 2 0 0 1 1 1 1
47.000 2 1 2 1 2 4 2 3 4 1 1 2 1 3 2 2 1 1 3 2
48.000 1 0 0 0 1 0 1 0 0 0 1 0 1 1 1 3 0 0 1 0
49.000 0 1 0 0 0 1 0 0 0 0 0 0 1 0 1 1 1 0 1 1
50.000 5 2 2 2 3 1 3 3 4 1 1 3 1 3 4 4 1 2 1 2
51.000 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 1 0 1
52.000 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 1 0 1 0 1
53.000 2 1 1 2 2 2 1 2 1 0 1 1 1 1 2 2 1 1 0 4
54.000 1 0 1 0 1 1 0 1 1 0 1 1 0 0 0 2 2 0 0 1
55.000 2 4 0 4 0 2 1 1 1 2 1 2 1 4 3 1 2 0 3 1
56.000 1 1 0 1 0 2 0 0 1 0 1 1 0 0 0 0 1 0 0 0
57.000 2 1 1 1 1 0 1 2 3 1 3 2 0 2 2 1 1 0 2 1
58.000 1 0 3 0 2 0 1 1 0 2 1 1 1 1 0 1 0 1 0 1
59.000 0 2 0 1 0 1 1 1 1 2 1 0 0 1 2 0 2 1 1 1
60.000 0 1 0 0 1 0 1 0 0 1 0 0 1 0 1 1 0 1 1 1
61.000 2 3 1 1 2 0 3 1 1 1 3 0 2 0 1 3 0 1 2 0
62.000 3 1 2 1 2 1 2 0 1 1 3 1 1 1 2 0 1 0 1 1
63.000 0 1 0 0 1 0 1 1 1 0 0 1 2 1 0 1 1 1 0 0
64.000 1 0 1 2 1 2 1 0 1 2 2 1 1 1 0 0 1 2 2 0
65.000 1 0 0 0 0 0 1 0 0 0 0 3 1 0 0 1 0 2 1 0
66.000 0 1 0 1 0 0 0 0 2 1 0 0 0 1 0 0 0 0 1 1
67.000 0 1 0 1 1 1 0 1 0 1 1 2 0 3 0 2 0 0 3 1
70.000 1 4 5 1 0 1 3 1 5 1 0 0 0 6 1 1 6 4 1 5
71.000 0 0 0 0 0 1 0 0 0 1 1 0 1 0 0 0 1 1 0 0
72.000 0 1 1 1 2 0 0 3 0 1 2 2 1 1 1 1 1 1 2 0
73.000 2 8 4 1 1 4 1 2 3 1 1 0 2 3 2 1 4 3 3 3
74.000 2 2 1 1 1 1 1 2 0 1 2 1 0 1 0 1 0 0 1 2
75.000 1 2 2 1 2 4 4 0 1 2 3 2 2 1 2 0 2 2 3 1
76.000 2 1 1 3 1 4 2 3 2 1 1 1 1 0 4 3 2 1 1 0
77.000 2 1 2 1 1 1 1 2 1 1 1 1 2 2 1 1 2 1 1 0
78.000 0 0 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
79.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
80.000 1 0 2 2 0 2 0 0 0 1 0 1 0 1 0 0 0 3 2 0
81.000 2 1 0 1 0 1 2 1 1 1 0 1 0 2 1 1 1 0 2 1
82.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
83.000 1 0 0 1 1 2 2 1 1 0 0 0 0 1 1 1 0 0 0 1
84.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
85.000 2 1 2 0 2 3 2 2 1 1 2 3 2 2 1 0 1 1 3 1
86.000 0 0 0 2 1 1 2 0 1 0 0 0 0 0 0 0 0 0 1 0
87.000 2 0 0 0 2 0 1 2 0 0 2 0 1 0 0 0 2 0 0 0
88.000 2 1 1 1 0 3 2 2 1 1 1 0 1 0 2 0 2 0 0 0
89.000 3 2 2 2 1 1 1 1 0 1 2 1 2 3 2 2 1 2 1 3
90.000 0 0 2 0 0 2 0 2 2 2 0 2 1 0 0 0 2 2 1 0
91.000 0 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 5 3 0
92.000 0 0 1 1 0 1 1 1 0 0 0 0 0 1 1 1 0 1 1 1
93.000 1 1 0 1 2 2 0 0 0 1 2 0 0 1 0 1 1 1 0 0
94.000 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0
95.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
96.000 2 1 2 2 3 0 1 1 1 1 2 1 1 0 1 1 0 1 0 1
97.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
98.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
99.000 0 1 1 2 3 0 1 1 0 1 2 2 1 0 1 1 0 0 0 1
100.000 3 3 1 0 1 0 2 1 0 1 1 5 0 2 0 0 0 0 4 3
101.000 2 2 5 4 0 1 0 0 1 0 0 0 1 0 0 1 0 1 0 0
102.000 0 1 1 0 0 1 0 0 0 0 0 0 0 2 0 0 0 2 0 0
103.000 0 0 0 1 0 1 0 0 0 1 1 0 1 0 0 0 1 0 0 0
104.000 0 1 0 0 0 0 0 1 1 0 1 0 0 0 1 2 0 1 2 0
105.000 2 4 1 3 4 1 2 0 1 1 1 1 3 4 3 0 1 0 2 1
106.000 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 1 0 0 0 0
107.000 2 0 0 0 0 0 0 0 1 0 1 0 3 0 1 1 1 0 0 1
108.000 0 1 0 1 0 1 0 0 1 2 1 0 0 1 1 1 0 1 2 1
109.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
110.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0
111.000 0 0 2 1 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0
112.000 0 0 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0
113.000 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 0 1 0
114.000 2 2 1 1 2 0 1 0 2 0 1 0 0 1 1 1 2 1 0 4
115.000 2 2 2 2 2 3 4 1 0 1 1 4 0 1 6 6 2 3 0 1
116.000 1 0 0 1 1 0 0 1 0 0 1 1 2 2 2 2 1 1 2 0
117.000 3 5 2 1 3 2 0 2 1 1 1 1 1 4 4 4 2 1 2 3
118.000 2 2 2 0 4 1 1 4 1 1 2 2 2 0 2 3 0 0 2 0
119.000 1 1 0 0 1 1 0 0 0 1 3 1 1 1 0 0 2 2 0 1
120.000 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 2 0 0 0
121.000 1 1 2 1 0 0 3 0 0 1 0 0 0 1 0 0 2 1 1 1
122.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 3 2 0
123.000 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
124.000 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0
125.000 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0
126.000 0 1 0 0 1 0 0 2 0 0 0 0 0 0 0 1 0 0 0 0
127.000 1 0 0 0 0 2 0 0 0 0 0 0 0 1 2 0 0 1 0 0
128.000 1 1 2 2 0 1 1 4 0 1 0 1 0 3 1 1 2 2 2 2
129.000 0 0 1 1 0 0 0 0 0 2 1 0 1 2 0 0 0 1 0 1
130.000 0 2 0 0 0 0 1 0 0 1 1 0 0 0 0 1 0 1 0 0
131.000 1 1 0 2 0 1 1 1 1 1 1 1 1 1 0 0 1 1 2 1
132.000 2 1 0 1 1 0 2 2 1 1 1 1 1 1 0 4 1 4 2 2
133.000 1 0 0 1 0 0 0 0 0 1 0 0 1 1 1 1 0 1 0 0
134.000 2 3 2 1 1 0 1 0 1 1 2 0 2 0 0 0 0 1 1 0
135.000 1 1 1 0 1 0 1 1 0 2 1 1 2 1 0 0 0 2 0 1
136.000 0 2 0 1 1 0 1 1 2 1 0 1 0 0 0 0 1 0 2 2
137.000 1 1 0 0 0 0 0 0 1 1 0 1 0 1 1 0 1 0 0 0
138.000 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
139.000 1 2 0 1 0 3 0 0 1 1 1 2 0 0 0 0 2 0 0 0
#Reported_Model_Average 0.815 0.854 0.700 0.746 0.638 0.669 0.700 0.746 0.838 0.654 0.785 0.669 0.577 0.800 0.792 0.777 0.738 0.831 0.746 0.692
#Overall_Average_Reported 0.738
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 81 GLU 2HG :A 80 LYS 2HG : -0.863: 0
: 2244:A 83 VAL 2HG2 :A 81 GLU 1HB : -0.561: 0
: 2244:A 39 TRP HE3 :A 128 VAL 2HG1 : -0.823: 0
: 2244:A 127 SER HA :A 39 TRP O : -0.476: 0
: 2244:A 117 ILE HB :A 73 LYS 2HB : -0.804: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.743: 0
: 2244:A 50 ILE HB :A 16 ILE CG2 : -0.607: 0
: 2244:A 53 PHE O :A 55 LYS 1HG : -0.596: 0
: 2244:A 73 LYS 2HD :A 117 ILE 2HD1 : -0.582: 0
: 2244:A 16 ILE 1HG1 :A 17 LEU N : -0.539: 0
: 2244:A 57 VAL 3HG1 :A 55 LYS 2HG : -0.534: 0
: 2244:A 115 ARG 2HG :A 50 ILE 1HG1 : -0.525: 0
: 2244:A 114 LEU HG :A 53 PHE HE2 : -0.513: 0
: 2244:A 115 ARG 1HD :A 117 ILE CG1 : -0.511: 0
: 2244:A 50 ILE HA :A 114 LEU O : -0.505: 0
: 2244:A 57 VAL 2HG1 :A 137 VAL 2HG1 : -0.457: 0
: 2244:A 50 ILE 2HG1 :A 17 LEU 2HD2 : -0.406: 0
: 2244:A 46 PRO 2HB :A 119 VAL HA : -0.799: 0
: 2244:A 9 SER 2HB :A 31 ILE 2HD1 : -0.759: 0
: 2244:A 31 ILE 2HG2 :A 7 CYS O : -0.516: 0
: 2244:A 9 SER 2HB :A 31 ILE CD1 : -0.505: 0
: 2244:A 7 CYS 2HB :A 132 SER HA : -0.495: 0
: 2244:A 7 CYS CB :A 132 SER HA : -0.459: 0
: 2244:A 31 ILE HB :A 9 SER N : -0.434: 0
: 2244:A 134 GLU 1HB :A 61 ARG 1HB : -0.751: 0
: 2244:A 134 GLU OE1 :A 61 ARG 1HD : -0.570: 0
: 2244:A 96 THR 1HG2 :A 101 GLN 1HB : -0.685: 0
: 2244:A 96 THR 1HG2 :A 101 GLN CB : -0.497: 0
: 2244:A 47 GLN CG :A 118 ILE HB : -0.642: 0
: 2244:A 47 GLN 2HG :A 118 ILE HB : -0.633: 0
: 2244:A 5 ASP 2HB :A 8 LEU 3HD1 : -0.625: 0
: 2244:A 74 ILE HB :A 89 ILE 2HG1 : -0.598: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.569: 0
: 2244:A 89 ILE 2HD1 :A 105 ILE 1HG2 : -0.551: 0
: 2244:A 107 ALA 3HB :A 62 LEU CD1 : -0.508: 0
: 2244:A 107 ALA 3HB :A 62 LEU 3HD1 : -0.430: 0
: 2244:A 74 ILE 2HD1 :A 89 ILE 2HG1 : -0.407: 0
: 2244:A 44 MET 1HB :A 20 SER 2HB : -0.580: 0
: 2244:A 77 SER 1HB :A 113 TYR 1HB : -0.565: 0
: 2244:A 75 GLU 1HG :A 85 PHE 2HB : -0.461: 0
: 2244:A 85 PHE CD2 :A 77 SER 2HB : -0.456: 0
: 2244:A 22 ASP 2HB :A 25 HIS 1HB : -0.558: 0
: 2244:A 25 HIS 1HB :A 22 ASP CB : -0.437: 0
: 2244:A 58 ARG O :A 135 GLY 2HA : -0.550: 0
: 2244:A 64 ILE 3HG2 :A 131 VAL 2HG1 : -0.548: 0
: 2244:A 48 GLU HA :A 116 PHE O : -0.531: 0
: 2244:A 6 LEU 1HB :A 133 ALA 3HB : -0.503: 0
: 2244:A 29 ASN HA :A 32 ASP 2HB : -0.496: 0
: 2244:A 88 TRP CD2 :A 76 LYS 1HD : -0.465: 0
: 2244:A 88 TRP CG :A 76 LYS 1HD : -0.402: 0
: 2244:A 121 ALA HA :A 70 GLN CB : -0.449: 0
: 2244:A 93 LEU 3HD2 :A 94 VAL O : -0.449: 0
: 2244:A 100 LEU 3HD2 :A 100 LEU HA : -0.435: 0
: 2244:A 65 GLN 2HE2 :A 100 LEU 2HB : -0.415: 0
: 2244:A 87 GLN 2HE2 :A 87 GLN 1HB : -0.421: 0
: 2244:A 141 LEU 1HB :A 54 HIS O : -0.420: 0
: 2244:A 56 HIS 1HB :A 139 SER 2HB : -0.415: 0
#sum2 ::25.40 clashscore : 25.40 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252109 potential dots:15760.0 A^2:57 bumps:57 bumps B<40:431 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 70 GLN H :A 69 VAL 2HG1 : -0.888: 0
: 2244:A 69 VAL 2HG1 :A 70 GLN N : -0.534: 0
: 2244:A 70 GLN H :A 69 VAL CG1 : -0.439: 0
: 2244:A 69 VAL 1HG2 :A 93 LEU 2HD1 : -0.436: 0
: 2244:A 121 ALA HA :A 70 GLN CB : -0.425: 0
: 2244:A 55 LYS 1HD :A 140 ASN HA : -0.827: 0
: 2244:A 56 HIS 1HB :A 139 SER 2HB : -0.555: 0
: 2244:A 55 LYS 2HB :A 139 SER O : -0.494: 0
: 2244:A 142 SER OG :A 55 LYS 2HD : -0.468: 0
: 2244:A 55 LYS 1HD :A 140 ASN CA : -0.421: 0
: 2244:A 134 GLU 1HB :A 61 ARG 2HB : -0.789: 0
: 2244:A 104 GLU 1HG :A 61 ARG NH2 : -0.561: 0
: 2244:A 61 ARG 2HD :A 134 GLU OE1 : -0.549: 0
: 2244:A 3 LYS HA :A 134 GLU 2HB : -0.532: 0
: 2244:A 73 LYS 1HE :A 75 GLU 1HB : -0.720: 0
: 2244:A 73 LYS 1HD :A 117 ILE 2HD1 : -0.610: 0
: 2244:A 117 ILE HB :A 73 LYS CD : -0.476: 0
: 2244:A 117 ILE 1HD1 :A 115 ARG HE : -0.464: 0
: 2244:A 75 GLU CD :A 85 PHE 2HB : -0.442: 0
: 2244:A 117 ILE 1HD1 :A 115 ARG NE : -0.439: 0
: 2244:A 73 LYS 2HE :A 73 LYS 1HB : -0.419: 0
: 2244:A 73 LYS O :A 73 LYS 2HD : -0.412: 0
: 2244:A 117 ILE HB :A 73 LYS 1HD : -0.401: 0
: 2244:A 137 VAL 3HG2 :A 57 VAL 2HG1 : -0.707: 0
: 2244:A 46 PRO 2HB :A 119 VAL HA : -0.677: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.655: 0
: 2244:A 91 LYS 2HG :A 105 ILE CD1 : -0.500: 0
: 2244:A 91 LYS 2HE :A 105 ILE 1HG1 : -0.479: 0
: 2244:A 91 LYS 2HG :A 105 ILE 3HD1 : -0.451: 0
: 2244:A 72 LEU 3HD1 :A 118 ILE 1HG1 : -0.630: 0
: 2244:A 47 GLN 1HB :A 118 ILE HB : -0.479: 0
: 2244:A 30 ILE O :A 130 SER HA : -0.625: 0
: 2244:A 130 SER OG :A 35 PRO HA : -0.480: 0
: 2244:A 39 TRP HE3 :A 128 VAL 2HG1 : -0.448: 0
: 2244:A 131 VAL 2HG2 :A 30 ILE 2HG2 : -0.426: 0
: 2244:A 39 TRP 2HB :A 30 ILE 1HG1 : -0.404: 0
: 2244:A 2 ARG HA :A 136 THR 3HG2 : -0.615: 0
: 2244:A 17 LEU O :A 49 PHE HA : -0.615: 0
: 2244:A 136 THR CG2 :A 2 ARG HA : -0.487: 0
: 2244:A 67 TYR CE2 :A 100 LEU HG : -0.566: 0
: 2244:A 100 LEU 3HD2 :A 101 GLN N : -0.520: 0
: 2244:A 101 GLN 1HB :A 66 SER O : -0.462: 0
: 2244:A 100 LEU 2HD2 :A 102 ASN OD1 : -0.404: 0
: 2244:A 74 ILE 2HD1 :A 89 ILE 2HG1 : -0.560: 0
: 2244:A 74 ILE HB :A 89 ILE 2HG1 : -0.423: 0
: 2244:A 77 SER 2HB :A 113 TYR 1HB : -0.534: 0
: 2244:A 99 GLN 2HB :A 96 THR HB : -0.522: 0
: 2244:A 31 ILE CG2 :A 8 LEU HA : -0.512: 0
: 2244:A 29 ASN OD1 :A 26 PRO 1HD : -0.500: 0
: 2244:A 29 ASN HA :A 32 ASP 1HB : -0.479: 0
: 2244:A 135 GLY 1HA :A 60 GLU 2HB : -0.489: 0
: 2244:A 114 LEU HG :A 53 PHE HE2 : -0.468: 0
: 2244:A 50 ILE HA :A 114 LEU O : -0.457: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.445: 0
: 2244:A 126 ALA O :A 40 THR HA : -0.467: 0
: 2244:A 59 ILE HB :A 109 GLY O : -0.461: 0
: 2244:A 108 HIS HA :A 59 ILE O : -0.405: 0
: 2244:A 81 GLU 2HB :A 82 PRO 1HD : -0.459: 0
: 2244:A 13 SER O :A 9 SER HA : -0.419: 0
: 2244:A 123 ASP CG :A 124 HIS H : -0.417: 0
: 2244:A 63 VAL HB :A 132 SER 2HB : -0.412: 0
: 2244:A 88 TRP CD2 :A 76 LYS 1HD : -0.411: 0
#sum2 ::27.63 clashscore : 27.63 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252255 potential dots:15770.0 A^2:62 bumps:62 bumps B<40:392.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 70 GLN H :A 69 VAL 2HG1 : -0.883: 0
: 2244:A 121 ALA HA :A 70 GLN CB : -0.519: 0
: 2244:A 69 VAL 2HG1 :A 70 GLN N : -0.475: 0
: 2244:A 70 GLN 2HB :A 121 ALA HA : -0.465: 0
: 2244:A 70 GLN O :A 92 ASP HA : -0.417: 0
: 2244:A 77 SER 1HB :A 113 TYR 1HB : -0.821: 0
: 2244:A 115 ARG 2HB :A 75 GLU 2HB : -0.815: 0
: 2244:A 75 GLU 1HG :A 85 PHE 1HB : -0.793: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.673: 0
: 2244:A 115 ARG 2HG :A 50 ILE 1HG1 : -0.528: 0
: 2244:A 77 SER 2HB :A 85 PHE 2HB : -0.515: 0
: 2244:A 16 ILE 1HG1 :A 17 LEU HG : -0.452: 0
: 2244:A 73 LYS 2HG :A 117 ILE HB : -0.731: 0
: 2244:A 73 LYS CG :A 117 ILE HB : -0.626: 0
: 2244:A 73 LYS HA :A 90 GLU CB : -0.504: 0
: 2244:A 90 GLU 2HB :A 73 LYS HA : -0.489: 0
: 2244:A 43 GLY H :A 41 THR 2HG2 : -0.718: 0
: 2244:A 47 GLN 1HB :A 118 ILE HB : -0.654: 0
: 2244:A 41 THR 1HG2 :A 47 GLN 1HG : -0.518: 0
: 2244:A 72 LEU 3HD1 :A 118 ILE 1HG1 : -0.425: 0
: 2244:A 57 VAL HB :A 6 LEU 3HD1 : -0.706: 0
: 2244:A 6 LEU HA :A 11 GLU 2HG : -0.442: 0
: 2244:A 74 ILE 2HD1 :A 89 ILE 2HG1 : -0.687: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.593: 0
: 2244:A 89 ILE 1HD1 :A 62 LEU 2HD1 : -0.415: 0
: 2244:A 111 ALA HA :A 78 THR 3HG2 : -0.655: 0
: 2244:A 78 THR CG2 :A 111 ALA HA : -0.526: 0
: 2244:A 112 THR OG1 :A 78 THR HA : -0.430: 0
: 2244:A 58 ARG 1HG :A 138 VAL 2HG2 : -0.645: 0
: 2244:A 58 ARG 1HG :A 138 VAL CG2 : -0.577: 0
: 2244:A 58 ARG O :A 135 GLY 2HA : -0.426: 0
: 2244:A 101 GLN 2HE2 :A 101 GLN HA : -0.596: 0
: 2244:A 99 GLN 1HB :A 96 THR HB : -0.559: 0
: 2244:A 101 GLN CA :A 101 GLN 2HE2 : -0.536: 0
: 2244:A 101 GLN 1HG :A 96 THR CG2 : -0.448: 0
: 2244:A 134 GLU 1HB :A 61 ARG 2HB : -0.526: 0
: 2244:A 134 GLU HA :A 4 ILE O : -0.515: 0
: 2244:A 38 PHE 1HB :A 128 VAL O : -0.491: 0
: 2244:A 39 TRP HE3 :A 128 VAL 2HG1 : -0.408: 0
: 2244:A 114 LEU HG :A 53 PHE HE2 : -0.490: 0
: 2244:A 54 HIS HD2 :A 52 CYS SG : -0.490: 0
: 2244:A 100 LEU 1HD2 :A 129 HIS 1HB : -0.490: 0
: 2244:A 31 ILE 3HG2 :A 30 ILE 3HG2 : -0.483: 0
: 2244:A 8 LEU HA :A 31 ILE O : -0.459: 0
: 2244:A 30 ILE 2HG2 :A 27 PRO O : -0.454: 0
: 2244:A 102 ASN HA :A 64 ILE O : -0.474: 0
: 2244:A 80 LYS 2HD :A 80 LYS C : -0.431: 0
: 2244:A 88 TRP CG :A 76 LYS 1HD : -0.424: 0
#sum2 ::21.39 clashscore : 21.39 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252221 potential dots:15760.0 A^2:48 bumps:48 bumps B<40:484.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 101 GLN 2HE2 :A 101 GLN HA : -0.919: 0
: 2244:A 101 GLN 2HE2 :A 101 GLN CA : -0.502: 0
: 2244:A 25 HIS 1HB :A 22 ASP 1HB : -0.910: 0
: 2244:A 25 HIS 2HB :A 38 PHE O : -0.476: 0
: 2244:A 99 GLN 1HB :A 96 THR HB : -0.908: 0
: 2244:A 99 GLN 1HB :A 96 THR CB : -0.465: 0
: 2244:A 64 ILE 3HG2 :A 131 VAL 2HG1 : -0.855: 0
: 2244:A 64 ILE 3HG2 :A 131 VAL CG1 : -0.415: 0
: 2244:A 77 SER 2HB :A 113 TYR 1HB : -0.833: 0
: 2244:A 27 PRO 1HB :A 15 VAL 1HG2 : -0.816: 0
: 2244:A 27 PRO 2HD :A 21 SER OG : -0.598: 0
: 2244:A 21 SER OG :A 26 PRO HA : -0.400: 0
: 2244:A 9 SER 1HB :A 31 ILE 2HD1 : -0.743: 0
: 2244:A 9 SER 1HB :A 31 ILE CD1 : -0.562: 0
: 2244:A 56 HIS 1HB :A 139 SER 2HB : -0.733: 0
: 2244:A 57 VAL HB :A 6 LEU 3HD1 : -0.727: 0
: 2244:A 6 LEU 1HB :A 133 ALA 3HB : -0.658: 0
: 2244:A 115 ARG 2HB :A 75 GLU 2HB : -0.695: 0
: 2244:A 115 ARG 2HG :A 50 ILE 1HG1 : -0.510: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.438: 0
: 2244:A 39 TRP HE3 :A 128 VAL 2HG1 : -0.689: 0
: 2244:A 128 VAL 3HG2 :A 66 SER 1HB : -0.456: 0
: 2244:A 106 VAL HA :A 61 ARG 1HG : -0.644: 0
: 2244:A 141 LEU 2HD2 :A 55 LYS 2HB : -0.628: 0
: 2244:A 114 LEU HG :A 53 PHE HE2 : -0.582: 0
: 2244:A 55 LYS 1HD :A 140 ASN HA : -0.553: 0
: 2244:A 140 ASN OD1 :A 55 LYS 1HD : -0.428: 0
: 2244:A 53 PHE C :A 55 LYS H : -0.411: 0
: 2244:A 86 GLU 2HG :A 76 LYS 2HB : -0.619: 0
: 2244:A 86 GLU CG :A 76 LYS 2HB : -0.440: 0
: 2244:A 88 TRP 1HB :A 76 LYS 1HB : -0.410: 0
: 2244:A 93 LEU 2HB :A 69 VAL O : -0.604: 0
: 2244:A 89 ILE 2HD1 :A 105 ILE 1HG2 : -0.594: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.525: 0
: 2244:A 74 ILE 2HD1 :A 89 ILE 2HG1 : -0.502: 0
: 2244:A 105 ILE 2HG1 :A 103 GLU 2HG : -0.501: 0
: 2244:A 70 GLN O :A 92 ASP HA : -0.568: 0
: 2244:A 35 PRO HA :A 129 HIS CE1 : -0.562: 0
: 2244:A 35 PRO 2HD :A 34 ASN HA : -0.444: 0
: 2244:A 72 LEU 1HD1 :A 116 PHE HD1 : -0.551: 0
: 2244:A 29 ASN HA :A 32 ASP 2HB : -0.534: 0
: 2244:A 29 ASN ND2 :A 37 THR 3HG2 : -0.426: 0
: 2244:A 44 MET O :A 47 GLN 2HB : -0.527: 0
: 2244:A 117 ILE HB :A 73 LYS 2HB : -0.486: 0
: 2244:A 68 PHE O :A 121 ALA 1HB : -0.480: 0
: 2244:A 67 TYR O :A 68 PHE 1HB : -0.404: 0
: 2244:A 23 GLU 2HG :A 24 LYS 2HG : -0.472: 0
: 2244:A 108 HIS HA :A 59 ILE O : -0.471: 0
: 2244:A 111 ALA HA :A 78 THR 2HG2 : -0.459: 0
: 2244:A 80 LYS 2HD :A 80 LYS C : -0.451: 0
: 2244:A 2 ARG HA :A 136 THR 2HG2 : -0.441: 0
: 2244:A 134 GLU OE2 :A 3 LYS 1HG : -0.439: 0
: 2244:A 2 ARG 1HG :A 3 LYS 2HG : -0.435: 0
: 2244:A 3 LYS 3HZ :A 3 LYS 1HG : -0.407: 0
: 2244:A 83 VAL 2HG2 :A 81 GLU 1HB : -0.427: 0
: 2244:A 7 CYS 1HB :A 132 SER HA : -0.401: 0
#sum2 ::24.96 clashscore : 24.96 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:251974 potential dots:15750.0 A^2:56 bumps:56 bumps B<40:455.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 46 PRO 2HB :A 119 VAL HA : -0.896: 0
: 2244:A 63 VAL HB :A 132 SER 2HB : -0.870: 0
: 2244:A 117 ILE HB :A 73 LYS 2HB : -0.793: 0
: 2244:A 48 GLU 1HG :A 117 ILE 3HG2 : -0.514: 0
: 2244:A 117 ILE 1HD1 :A 115 ARG 2HD : -0.495: 0
: 2244:A 83 VAL HA :A 85 PHE CE2 : -0.427: 0
: 2244:A 115 ARG 1HB :A 85 PHE CE1 : -0.400: 0
: 2244:A 31 ILE 2HG1 :A 32 ASP H : -0.787: 0
: 2244:A 32 ASP H :A 31 ILE CG1 : -0.409: 0
: 2244:A 72 LEU 1HD1 :A 116 PHE HD2 : -0.757: 0
: 2244:A 47 GLN CG :A 118 ILE HB : -0.664: 0
: 2244:A 69 VAL 3HG1 :A 118 ILE 3HG2 : -0.635: 0
: 2244:A 69 VAL HB :A 93 LEU 3HD1 : -0.523: 0
: 2244:A 118 ILE HB :A 47 GLN 1HG : -0.513: 0
: 2244:A 93 LEU 3HD2 :A 94 VAL N : -0.433: 0
: 2244:A 72 LEU 3HD1 :A 118 ILE 1HG1 : -0.431: 0
: 2244:A 57 VAL HB :A 6 LEU 3HD1 : -0.743: 0
: 2244:A 96 THR 1HG2 :A 99 GLN 2HE2 : -0.737: 0
: 2244:A 99 GLN 2HB :A 96 THR HB : -0.565: 0
: 2244:A 99 GLN 2HE2 :A 96 THR CG2 : -0.447: 0
: 2244:A 75 GLU 2HG :A 87 GLN HA : -0.736: 0
: 2244:A 75 GLU 2HG :A 87 GLN CA : -0.419: 0
: 2244:A 77 SER 2HB :A 113 TYR 1HB : -0.729: 0
: 2244:A 100 LEU HG :A 67 TYR HD2 : -0.597: 0
: 2244:A 74 ILE 2HD1 :A 89 ILE 2HG1 : -0.596: 0
: 2244:A 37 THR HB :A 29 ASN OD1 : -0.581: 0
: 2244:A 29 ASN N :A 29 ASN 2HD2 : -0.435: 0
: 2244:A 61 ARG 2HG :A 60 GLU 1HG : -0.555: 0
: 2244:A 61 ARG HA :A 105 ILE O : -0.549: 0
: 2244:A 62 LEU 2HB :A 64 ILE 1HD1 : -0.525: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.464: 0
: 2244:A 91 LYS 1HG :A 105 ILE 3HD1 : -0.414: 0
: 2244:A 91 LYS 1HG :A 105 ILE CD1 : -0.413: 0
: 2244:A 68 PHE 2HB :A 123 ASP 1HB : -0.540: 0
: 2244:A 124 HIS O :A 43 GLY 1HA : -0.540: 0
: 2244:A 58 ARG O :A 135 GLY 2HA : -0.528: 0
: 2244:A 136 THR OG1 :A 58 ARG 1HD : -0.439: 0
: 2244:A 76 LYS 1HG :A 86 GLU O : -0.521: 0
: 2244:A 41 THR HB :A 126 ALA H : -0.514: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.501: 0
: 2244:A 114 LEU HG :A 53 PHE HE2 : -0.464: 0
: 2244:A 53 PHE O :A 54 HIS 1HB : -0.416: 0
: 2244:A 114 LEU O :A 50 ILE HA : -0.412: 0
: 2244:A 50 ILE HB :A 16 ILE CG2 : -0.411: 0
: 2244:A 3 LYS 1HG :A 3 LYS O : -0.460: 0
: 2244:A 134 GLU HA :A 4 ILE O : -0.451: 0
: 2244:A 1 MET O :A 2 ARG 2HB : -0.451: 0
#sum2 ::20.94 clashscore : 20.94 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252193 potential dots:15760.0 A^2:47 bumps:47 bumps B<40:497.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 77 SER 2HB :A 113 TYR 1HB : -1.043: 0
: 2244:A 52 CYS 2HB :A 113 TYR CD2 : -0.492: 0
: 2244:A 75 GLU 1HG :A 85 PHE 2HB : -0.727: 0
: 2244:A 115 ARG 2HB :A 75 GLU 1HB : -0.683: 0
: 2244:A 85 PHE 2HB :A 75 GLU CG : -0.524: 0
: 2244:A 85 PHE CE1 :A 115 ARG 1HD : -0.515: 0
: 2244:A 115 ARG 2HB :A 75 GLU CB : -0.457: 0
: 2244:A 47 GLN 1HB :A 118 ILE HB : -0.722: 0
: 2244:A 41 THR 1HG2 :A 47 GLN 1HG : -0.706: 0
: 2244:A 47 GLN 1HG :A 41 THR CG2 : -0.696: 0
: 2244:A 19 THR 1HG2 :A 47 GLN HA : -0.583: 0
: 2244:A 56 HIS 2HB :A 139 SER 2HB : -0.711: 0
: 2244:A 56 HIS 2HB :A 139 SER CB : -0.506: 0
: 2244:A 53 PHE C :A 55 LYS H : -0.484: 0
: 2244:A 55 LYS 1HB :A 139 SER O : -0.418: 0
: 2244:A 53 PHE O :A 54 HIS 1HB : -0.408: 0
: 2244:A 117 ILE HB :A 73 LYS 2HB : -0.696: 0
: 2244:A 73 LYS 2HG :A 90 GLU 1HG : -0.480: 0
: 2244:A 73 LYS 2HD :A 117 ILE 2HD1 : -0.474: 0
: 2244:A 90 GLU 1HG :A 73 LYS HA : -0.434: 0
: 2244:A 93 LEU 2HD2 :A 69 VAL HB : -0.664: 0
: 2244:A 69 VAL O :A 93 LEU 1HB : -0.480: 0
: 2244:A 108 HIS HA :A 59 ILE O : -0.634: 0
: 2244:A 31 ILE 3HD1 :A 14 GLU HA : -0.588: 0
: 2244:A 141 LEU H :A 141 LEU 3HD2 : -0.581: 0
: 2244:A 86 GLU 1HB :A 76 LYS 2HG : -0.573: 0
: 2244:A 64 ILE 3HG2 :A 131 VAL 2HG1 : -0.573: 0
: 2244:A 76 LYS 1HG :A 88 TRP 1HB : -0.542: 0
: 2244:A 64 ILE HB :A 103 GLU 1HB : -0.412: 0
: 2244:A 76 LYS 1HD :A 88 TRP CD2 : -0.407: 0
: 2244:A 76 LYS 1HD :A 88 TRP CG : -0.407: 0
: 2244:A 83 VAL 2HG2 :A 81 GLU 1HB : -0.564: 0
: 2244:A 84 ASP 2HB :A 83 VAL O : -0.412: 0
: 2244:A 29 ASN HA :A 32 ASP 2HB : -0.556: 0
: 2244:A 67 TYR CE1 :A 127 SER 2HB : -0.539: 0
: 2244:A 39 TRP HE3 :A 128 VAL 2HG1 : -0.426: 0
: 2244:A 127 SER HA :A 39 TRP O : -0.405: 0
: 2244:A 6 LEU HA :A 11 GLU 2HG : -0.536: 0
: 2244:A 74 ILE 2HD1 :A 89 ILE 2HG1 : -0.533: 0
: 2244:A 27 PRO 2HD :A 26 PRO HA : -0.498: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.480: 0
: 2244:A 80 LYS 1HB :A 80 LYS 2HE : -0.460: 0
: 2244:A 70 GLN O :A 92 ASP HA : -0.455: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.433: 0
: 2244:A 17 LEU O :A 49 PHE HA : -0.433: 0
: 2244:A 71 THR HB :A 119 VAL HB : -0.431: 0
: 2244:A 101 GLN C :A 102 ASN 2HD2 : -0.419: 0
#sum2 ::20.94 clashscore : 20.94 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252107 potential dots:15760.0 A^2:47 bumps:47 bumps B<40:525.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 17 LEU 2HD1 :A 16 ILE 1HG1 : -0.863: 0
: 2244:A 115 ARG 2HG :A 50 ILE 1HG1 : -0.790: 0
: 2244:A 115 ARG 2HB :A 75 GLU 2HB : -0.760: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.512: 0
: 2244:A 50 ILE HB :A 16 ILE CG2 : -0.509: 0
: 2244:A 115 ARG 2HB :A 75 GLU CB : -0.494: 0
: 2244:A 75 GLU 1HG :A 85 PHE 2HB : -0.429: 0
: 2244:A 115 ARG 2HH1 :A 48 GLU CD : -0.421: 0
: 2244:A 85 PHE 2HB :A 75 GLU CG : -0.419: 0
: 2244:A 37 THR 2HG2 :A 38 PHE H : -0.805: 0
: 2244:A 77 SER 2HB :A 113 TYR 1HB : -0.805: 0
: 2244:A 113 TYR CE2 :A 52 CYS 2HB : -0.455: 0
: 2244:A 86 GLU 1HB :A 76 LYS 2HG : -0.787: 0
: 2244:A 86 GLU 1HB :A 76 LYS CG : -0.566: 0
: 2244:A 74 ILE 2HD1 :A 89 ILE 2HG1 : -0.736: 0
: 2244:A 83 VAL 2HG2 :A 81 GLU 1HB : -0.706: 0
: 2244:A 81 GLU C :A 83 VAL H : -0.428: 0
: 2244:A 39 TRP HE3 :A 128 VAL 2HG1 : -0.699: 0
: 2244:A 47 GLN 2HB :A 41 THR 1HG2 : -0.669: 0
: 2244:A 41 THR HA :A 20 SER CB : -0.553: 0
: 2244:A 47 GLN OE1 :A 41 THR HB : -0.531: 0
: 2244:A 39 TRP CZ2 :A 20 SER 1HB : -0.519: 0
: 2244:A 7 CYS 1HB :A 132 SER HA : -0.666: 0
: 2244:A 132 SER 1HB :A 63 VAL HB : -0.499: 0
: 2244:A 134 GLU 1HB :A 61 ARG 1HB : -0.662: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.487: 0
: 2244:A 61 ARG HA :A 105 ILE O : -0.445: 0
: 2244:A 88 TRP HH2 :A 59 ILE 1HG2 : -0.432: 0
: 2244:A 61 ARG 2HG :A 60 GLU O : -0.407: 0
: 2244:A 62 LEU 1HD1 :A 88 TRP CH2 : -0.407: 0
: 2244:A 31 ILE 2HG1 :A 32 ASP H : -0.613: 0
: 2244:A 31 ILE 3HD1 :A 14 GLU HA : -0.579: 0
: 2244:A 32 ASP N :A 31 ILE 2HG1 : -0.444: 0
: 2244:A 99 GLN 1HB :A 96 THR HB : -0.565: 0
: 2244:A 114 LEU HG :A 53 PHE HE2 : -0.541: 0
: 2244:A 57 VAL 3HG1 :A 55 LYS 2HG : -0.528: 0
: 2244:A 58 ARG O :A 135 GLY 2HA : -0.494: 0
: 2244:A 51 ILE 1HG1 :A 15 VAL 2HG1 : -0.483: 0
: 2244:A 2 ARG O :A 3 LYS 2HB : -0.478: 0
: 2244:A 2 ARG HA :A 136 THR 2HG2 : -0.418: 0
: 2244:A 69 VAL 3HG1 :A 118 ILE 3HG2 : -0.468: 0
: 2244:A 130 SER 2HB :A 65 GLN NE2 : -0.458: 0
: 2244:A 68 PHE O :A 121 ALA 1HB : -0.457: 0
: 2244:A 70 GLN O :A 92 ASP HA : -0.454: 0
: 2244:A 121 ALA HA :A 70 GLN CB : -0.432: 0
: 2244:A 70 GLN 2HB :A 121 ALA HA : -0.407: 0
: 2244:A 73 LYS 1HE :A 87 GLN OE1 : -0.445: 0
: 2244:A 26 PRO 2HD :A 24 LYS O : -0.431: 0
: 2244:A 64 ILE 3HG2 :A 131 VAL 2HG1 : -0.416: 0
: 2244:A 100 LEU C :A 100 LEU 3HD1 : -0.415: 0
: 2244:A 45 PHE CE2 :A 120 SER HA : -0.411: 0
#sum2 ::22.73 clashscore : 22.73 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252200 potential dots:15760.0 A^2:51 bumps:51 bumps B<40:436.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 117 ILE HB :A 73 LYS 1HB : -0.814: 0
: 2244:A 73 LYS 2HE :A 117 ILE 2HD1 : -0.539: 0
: 2244:A 77 SER 1HB :A 113 TYR 1HB : -0.796: 0
: 2244:A 77 SER 2HB :A 85 PHE 2HB : -0.699: 0
: 2244:A 83 VAL HA :A 85 PHE CE2 : -0.475: 0
: 2244:A 69 VAL 3HG1 :A 118 ILE 3HG2 : -0.733: 0
: 2244:A 47 GLN 2HE2 :A 118 ILE 2HD1 : -0.508: 0
: 2244:A 72 LEU 1HD1 :A 116 PHE HD2 : -0.483: 0
: 2244:A 72 LEU 3HD1 :A 118 ILE 1HG1 : -0.469: 0
: 2244:A 126 ALA H :A 41 THR CG2 : -0.441: 0
: 2244:A 47 GLN CG :A 118 ILE HB : -0.421: 0
: 2244:A 126 ALA 3HB :A 47 GLN 1HE2 : -0.421: 0
: 2244:A 69 VAL 1HG1 :A 72 LEU 1HB : -0.401: 0
: 2244:A 99 GLN 2HB :A 96 THR HB : -0.726: 0
: 2244:A 104 GLU 1HB :A 61 ARG 1HD : -0.697: 0
: 2244:A 39 TRP HE3 :A 128 VAL 2HG1 : -0.651: 0
: 2244:A 128 VAL CG1 :A 39 TRP 2HB : -0.452: 0
: 2244:A 128 VAL 2HG1 :A 39 TRP CE3 : -0.439: 0
: 2244:A 38 PHE 1HB :A 128 VAL O : -0.406: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.619: 0
: 2244:A 50 ILE HB :A 16 ILE CG2 : -0.547: 0
: 2244:A 115 ARG 2HG :A 50 ILE 1HG1 : -0.517: 0
: 2244:A 76 LYS 1HG :A 88 TRP 1HB : -0.595: 0
: 2244:A 74 ILE 2HD1 :A 89 ILE 2HG1 : -0.559: 0
: 2244:A 74 ILE O :A 88 TRP 2HB : -0.452: 0
: 2244:A 76 LYS 2HG :A 76 LYS O : -0.419: 0
: 2244:A 22 ASP 2HB :A 25 HIS 1HB : -0.572: 0
: 2244:A 24 LYS 1HD :A 23 GLU 2HB : -0.568: 0
: 2244:A 24 LYS N :A 24 LYS 1HD : -0.517: 0
: 2244:A 2 ARG HA :A 136 THR 2HG2 : -0.561: 0
: 2244:A 9 SER 1HB :A 31 ILE 2HD1 : -0.552: 0
: 2244:A 31 ILE 3HG2 :A 15 VAL 3HG1 : -0.405: 0
: 2244:A 70 GLN O :A 92 ASP HA : -0.533: 0
: 2244:A 30 ILE 2HG1 :A 27 PRO HA : -0.520: 0
: 2244:A 90 GLU 1HB :A 87 GLN NE2 : -0.516: 0
: 2244:A 87 GLN 2HE2 :A 90 GLU 1HB : -0.442: 0
: 2244:A 6 LEU 2HD2 :A 57 VAL 1HG1 : -0.510: 0
: 2244:A 57 VAL 3HG1 :A 55 LYS 2HG : -0.454: 0
: 2244:A 6 LEU HA :A 11 GLU 2HG : -0.424: 0
: 2244:A 11 GLU 1HB :A 8 LEU O : -0.416: 0
: 2244:A 112 THR OG1 :A 78 THR HA : -0.488: 0
: 2244:A 58 ARG O :A 135 GLY 2HA : -0.476: 0
: 2244:A 63 VAL O :A 131 VAL HA : -0.469: 0
: 2244:A 81 GLU OE1 :A 79 SER 1HB : -0.467: 0
: 2244:A 67 TYR OH :A 100 LEU HA : -0.466: 0
: 2244:A 29 ASN HA :A 32 ASP 1HB : -0.449: 0
: 2244:A 29 ASN O :A 32 ASP 2HB : -0.425: 0
: 2244:A 7 CYS 1HB :A 132 SER HA : -0.445: 0
: 2244:A 7 CYS CB :A 132 SER HA : -0.436: 0
: 2244:A 53 PHE CZ :A 59 ILE 1HD1 : -0.415: 0
: 2244:A 53 PHE O :A 54 HIS 1HB : -0.403: 0
: 2244:A 106 VAL 3HG1 :A 106 VAL O : -0.410: 0
#sum2 ::23.17 clashscore : 23.17 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252034 potential dots:15750.0 A^2:52 bumps:52 bumps B<40:485.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 70 GLN H :A 69 VAL 2HG1 : -0.811: 0
: 2244:A 66 SER 2HB :A 69 VAL 1HG2 : -0.616: 0
: 2244:A 120 SER O :A 70 GLN 2HB : -0.476: 0
: 2244:A 70 GLN 1HB :A 69 VAL O : -0.464: 0
: 2244:A 66 SER 2HB :A 69 VAL CG2 : -0.461: 0
: 2244:A 69 VAL 2HG1 :A 70 GLN N : -0.423: 0
: 2244:A 70 GLN H :A 69 VAL CG1 : -0.417: 0
: 2244:A 26 PRO 1HD :A 37 THR 1HG2 : -0.782: 0
: 2244:A 22 ASP 2HB :A 25 HIS 1HB : -0.541: 0
: 2244:A 27 PRO 2HD :A 26 PRO HA : -0.478: 0
: 2244:A 37 THR HB :A 29 ASN 2HD2 : -0.434: 0
: 2244:A 30 ILE HB :A 39 TRP CB : -0.423: 0
: 2244:A 37 THR CG2 :A 25 HIS HA : -0.423: 0
: 2244:A 29 ASN 2HD2 :A 37 THR CB : -0.419: 0
: 2244:A 30 ILE HB :A 39 TRP 1HB : -0.406: 0
: 2244:A 30 ILE 2HG2 :A 27 PRO O : -0.404: 0
: 2244:A 31 ILE 2HG2 :A 7 CYS O : -0.751: 0
: 2244:A 51 ILE 1HG1 :A 15 VAL 2HG1 : -0.632: 0
: 2244:A 15 VAL 3HG1 :A 31 ILE 1HG1 : -0.497: 0
: 2244:A 17 LEU 2HD1 :A 16 ILE 1HG1 : -0.742: 0
: 2244:A 76 LYS 2HG :A 86 GLU 2HB : -0.632: 0
: 2244:A 114 LEU 3HD2 :A 76 LYS HA : -0.518: 0
: 2244:A 16 ILE O :A 17 LEU 1HB : -0.473: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.465: 0
: 2244:A 50 ILE HB :A 16 ILE CG2 : -0.453: 0
: 2244:A 17 LEU 3HD1 :A 50 ILE 2HD1 : -0.445: 0
: 2244:A 114 LEU O :A 50 ILE HA : -0.401: 0
: 2244:A 139 SER 1HB :A 56 HIS 1HB : -0.741: 0
: 2244:A 2 ARG HA :A 136 THR 3HG2 : -0.740: 0
: 2244:A 136 THR CG2 :A 2 ARG HA : -0.614: 0
: 2244:A 83 VAL 2HG2 :A 81 GLU 1HB : -0.693: 0
: 2244:A 64 ILE 3HG2 :A 131 VAL 2HG1 : -0.651: 0
: 2244:A 47 GLN 2HB :A 118 ILE HB : -0.633: 0
: 2244:A 125 PHE HA :A 41 THR OG1 : -0.588: 0
: 2244:A 19 THR HB :A 47 GLN NE2 : -0.517: 0
: 2244:A 47 GLN 1HG :A 41 THR 2HG2 : -0.514: 0
: 2244:A 125 PHE 1HB :A 40 THR OG1 : -0.505: 0
: 2244:A 41 THR 2HG2 :A 47 GLN CG : -0.414: 0
: 2244:A 57 VAL 2HG1 :A 137 VAL 2HG1 : -0.621: 0
: 2244:A 57 VAL HB :A 6 LEU 3HD1 : -0.477: 0
: 2244:A 57 VAL CB :A 6 LEU 3HD1 : -0.426: 0
: 2244:A 53 PHE O :A 55 LYS 1HG : -0.598: 0
: 2244:A 77 SER 1HB :A 113 TYR 1HB : -0.595: 0
: 2244:A 96 THR 1HG2 :A 101 GLN 1HB : -0.593: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.588: 0
: 2244:A 117 ILE HB :A 73 LYS 2HB : -0.570: 0
: 2244:A 73 LYS 2HG :A 90 GLU OE2 : -0.440: 0
: 2244:A 90 GLU 2HG :A 73 LYS HA : -0.423: 0
: 2244:A 24 LYS H :A 24 LYS 2HD : -0.563: 0
: 2244:A 63 VAL HB :A 132 SER OG : -0.563: 0
: 2244:A 24 LYS 1HB :A 24 LYS NZ : -0.508: 0
: 2244:A 24 LYS N :A 24 LYS 2HD : -0.476: 0
: 2244:A 141 LEU 2HB :A 54 HIS O : -0.556: 0
: 2244:A 134 GLU HA :A 4 ILE O : -0.545: 0
: 2244:A 42 THR 3HG2 :A 20 SER 1HB : -0.509: 0
: 2244:A 46 PRO C :A 45 PHE HA : -0.505: 0
: 2244:A 11 GLU 1HG :A 8 LEU 1HB : -0.466: 0
: 2244:A 88 TRP CZ2 :A 107 ALA 1HB : -0.447: 0
: 2244:A 104 GLU 2HB :A 61 ARG NH1 : -0.437: 0
: 2244:A 108 HIS HA :A 59 ILE O : -0.416: 0
: 2244:A 75 GLU 1HG :A 85 PHE 2HB : -0.405: 0
: 2244:A 34 ASN 2HD2 :A 32 ASP 2HB : -0.402: 0
#sum2 ::27.63 clashscore : 27.63 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252110 potential dots:15760.0 A^2:62 bumps:62 bumps B<40:419.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 2 ARG HA :A 136 THR 2HG2 : -0.989: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.909: 0
: 2244:A 64 ILE 3HG2 :A 131 VAL 2HG1 : -0.782: 0
: 2244:A 64 ILE HB :A 103 GLU 2HB : -0.629: 0
: 2244:A 77 SER 2HB :A 113 TYR 1HB : -0.765: 0
: 2244:A 52 CYS 2HB :A 113 TYR CD2 : -0.427: 0
: 2244:A 99 GLN 2HB :A 96 THR HB : -0.726: 0
: 2244:A 39 TRP HE3 :A 128 VAL 2HG1 : -0.696: 0
: 2244:A 81 GLU 2HG :A 80 LYS 2HG : -0.683: 0
: 2244:A 35 PRO HA :A 129 HIS CE1 : -0.662: 0
: 2244:A 35 PRO HA :A 129 HIS NE2 : -0.498: 0
: 2244:A 30 ILE O :A 130 SER HA : -0.656: 0
: 2244:A 7 CYS 1HB :A 132 SER HA : -0.624: 0
: 2244:A 51 ILE 1HG1 :A 15 VAL 2HG1 : -0.614: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.600: 0
: 2244:A 55 LYS 1HD :A 140 ASN HA : -0.599: 0
: 2244:A 55 LYS 1HB :A 139 SER O : -0.454: 0
: 2244:A 108 HIS HA :A 59 ILE O : -0.583: 0
: 2244:A 59 ILE 3HG2 :A 133 ALA 1HB : -0.473: 0
: 2244:A 108 HIS 2HB :A 60 GLU HA : -0.443: 0
: 2244:A 74 ILE HB :A 89 ILE 2HG1 : -0.571: 0
: 2244:A 71 THR HB :A 119 VAL HB : -0.552: 0
: 2244:A 88 TRP 1HB :A 76 LYS 1HB : -0.525: 0
: 2244:A 66 SER 2HB :A 93 LEU 2HD2 : -0.524: 0
: 2244:A 58 ARG 2HG :A 138 VAL CG2 : -0.520: 0
: 2244:A 4 ILE 2HG2 :A 135 GLY O : -0.487: 0
: 2244:A 4 ILE O :A 6 LEU HG : -0.447: 0
: 2244:A 58 ARG O :A 135 GLY 2HA : -0.425: 0
: 2244:A 75 GLU CD :A 85 PHE 2HB : -0.515: 0
: 2244:A 115 ARG 2HB :A 75 GLU 2HB : -0.406: 0
: 2244:A 118 ILE HB :A 47 GLN OE1 : -0.514: 0
: 2244:A 134 GLU 1HB :A 61 ARG 1HB : -0.511: 0
: 2244:A 90 GLU CD :A 90 GLU H : -0.503: 0
: 2244:A 117 ILE HB :A 73 LYS 2HB : -0.487: 0
: 2244:A 29 ASN 1HD2 :A 26 PRO 1HD : -0.471: 0
: 2244:A 26 PRO 1HD :A 29 ASN ND2 : -0.443: 0
: 2244:A 27 PRO 2HD :A 26 PRO HA : -0.400: 0
: 2244:A 69 VAL CG1 :A 72 LEU 1HB : -0.460: 0
: 2244:A 8 LEU HG :A 5 ASP 2HB : -0.453: 0
: 2244:A 22 ASP 2HB :A 25 HIS 1HB : -0.431: 0
: 2244:A 100 LEU HG :A 67 TYR CZ : -0.430: 0
: 2244:A 121 ALA HA :A 70 GLN H : -0.428: 0
: 2244:A 141 LEU 2HD2 :A 141 LEU HA : -0.422: 0
: 2244:A 44 MET H :A 41 THR 2HG2 : -0.419: 0
: 2244:A 57 VAL 2HG1 :A 137 VAL 2HG1 : -0.417: 0
#sum2 ::20.05 clashscore : 20.05 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252197 potential dots:15760.0 A^2:45 bumps:45 bumps B<40:489.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 99 GLN 1HB :A 96 THR HB : -1.005: 0
: 2244:A 99 GLN 1HB :A 96 THR CB : -0.536: 0
: 2244:A 36 GLU 1HG :A 34 ASN 2HB : -0.965: 0
: 2244:A 56 HIS 2HB :A 139 SER 1HB : -0.897: 0
: 2244:A 46 PRO 2HB :A 119 VAL HA : -0.812: 0
: 2244:A 119 VAL HA :A 46 PRO CB : -0.476: 0
: 2244:A 71 THR HB :A 119 VAL HB : -0.420: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.794: 0
: 2244:A 134 GLU HA :A 4 ILE O : -0.559: 0
: 2244:A 104 GLU 2HB :A 61 ARG NH1 : -0.506: 0
: 2244:A 134 GLU 1HB :A 61 ARG 1HB : -0.496: 0
: 2244:A 62 LEU 2HD1 :A 61 ARG C : -0.445: 0
: 2244:A 107 ALA 3HB :A 62 LEU CD1 : -0.417: 0
: 2244:A 75 GLU 2HB :A 85 PHE 2HB : -0.777: 0
: 2244:A 75 GLU 2HG :A 87 GLN HA : -0.590: 0
: 2244:A 85 PHE CD2 :A 115 ARG 1HD : -0.472: 0
: 2244:A 75 GLU 2HG :A 87 GLN CA : -0.446: 0
: 2244:A 37 THR 2HG2 :A 38 PHE H : -0.724: 0
: 2244:A 22 ASP OD1 :A 24 LYS 1HG : -0.716: 0
: 2244:A 22 ASP 2HB :A 25 HIS O : -0.505: 0
: 2244:A 51 ILE 1HG1 :A 15 VAL 2HG1 : -0.715: 0
: 2244:A 69 VAL HB :A 93 LEU 2HD1 : -0.713: 0
: 2244:A 72 LEU 1HD1 :A 116 PHE HD2 : -0.614: 0
: 2244:A 69 VAL 3HG1 :A 118 ILE 3HG2 : -0.536: 0
: 2244:A 72 LEU 3HD1 :A 118 ILE 1HG1 : -0.494: 0
: 2244:A 93 LEU 2HD1 :A 69 VAL CB : -0.489: 0
: 2244:A 117 ILE HB :A 73 LYS 1HB : -0.647: 0
: 2244:A 57 VAL HB :A 6 LEU 3HD1 : -0.647: 0
: 2244:A 57 VAL 3HG1 :A 55 LYS 2HG : -0.458: 0
: 2244:A 6 LEU 3HD1 :A 57 VAL CB : -0.413: 0
: 2244:A 35 PRO HA :A 129 HIS NE2 : -0.615: 0
: 2244:A 74 ILE 2HD1 :A 89 ILE 2HG1 : -0.605: 0
: 2244:A 74 ILE HB :A 89 ILE O : -0.411: 0
: 2244:A 31 ILE 2HG1 :A 30 ILE 3HG2 : -0.591: 0
: 2244:A 7 CYS O :A 31 ILE 3HD1 : -0.587: 0
: 2244:A 30 ILE O :A 130 SER HA : -0.508: 0
: 2244:A 31 ILE CG2 :A 8 LEU HA : -0.489: 0
: 2244:A 30 ILE 2HG2 :A 27 PRO O : -0.465: 0
: 2244:A 8 LEU HG :A 5 ASP CB : -0.457: 0
: 2244:A 7 CYS SG :A 132 SER HA : -0.438: 0
: 2244:A 31 ILE 1HG2 :A 7 CYS O : -0.438: 0
: 2244:A 5 ASP 1HB :A 8 LEU HG : -0.436: 0
: 2244:A 32 ASP H :A 31 ILE HB : -0.400: 0
: 2244:A 76 LYS 1HG :A 88 TRP 1HB : -0.586: 0
: 2244:A 64 ILE 3HG2 :A 131 VAL 2HG1 : -0.543: 0
: 2244:A 64 ILE HB :A 103 GLU 1HB : -0.494: 0
: 2244:A 58 ARG O :A 135 GLY 2HA : -0.520: 0
: 2244:A 54 HIS O :A 141 LEU HA : -0.510: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.509: 0
: 2244:A 16 ILE 1HG1 :A 17 LEU N : -0.470: 0
: 2244:A 114 LEU HG :A 53 PHE HE2 : -0.505: 0
: 2244:A 100 LEU HG :A 67 TYR CZ : -0.476: 0
: 2244:A 108 HIS HA :A 59 ILE O : -0.441: 0
: 2244:A 41 THR HA :A 47 GLN 1HE2 : -0.439: 0
: 2244:A 77 SER 1HB :A 113 TYR 1HB : -0.430: 0
: 2244:A 42 THR 3HG2 :A 20 SER 1HB : -0.420: 0
: 2244:A 18 ALA HA :A 48 GLU O : -0.413: 0
#sum2 ::25.40 clashscore : 25.40 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252031 potential dots:15750.0 A^2:57 bumps:57 bumps B<40:406.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.958: 0
: 2244:A 75 GLU 2HB :A 85 PHE 2HB : -0.686: 0
: 2244:A 115 ARG CG :A 50 ILE 1HG1 : -0.616: 0
: 2244:A 50 ILE 1HG1 :A 115 ARG 1HG : -0.468: 0
: 2244:A 85 PHE 2HB :A 75 GLU CB : -0.453: 0
: 2244:A 115 ARG 1HD :A 117 ILE CG1 : -0.452: 0
: 2244:A 115 ARG 1HB :A 85 PHE CE2 : -0.423: 0
: 2244:A 81 GLU 2HG :A 80 LYS 2HG : -0.852: 0
: 2244:A 118 ILE HB :A 47 GLN OE1 : -0.745: 0
: 2244:A 72 LEU 1HD1 :A 116 PHE HD1 : -0.458: 0
: 2244:A 72 LEU 3HD1 :A 118 ILE 1HG1 : -0.450: 0
: 2244:A 44 MET O :A 47 GLN 2HB : -0.412: 0
: 2244:A 74 ILE 2HD1 :A 89 ILE 2HG1 : -0.687: 0
: 2244:A 64 ILE 3HG2 :A 131 VAL 2HG1 : -0.648: 0
: 2244:A 29 ASN HA :A 32 ASP 1HB : -0.639: 0
: 2244:A 26 PRO O :A 29 ASN 1HB : -0.448: 0
: 2244:A 28 GLU O :A 32 ASP 1HB : -0.406: 0
: 2244:A 9 SER 1HB :A 31 ILE 2HD1 : -0.604: 0
: 2244:A 31 ILE CG2 :A 8 LEU HA : -0.472: 0
: 2244:A 31 ILE 2HD1 :A 9 SER CB : -0.437: 0
: 2244:A 8 LEU 2HD2 :A 10 SER OG : -0.434: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.576: 0
: 2244:A 54 HIS CE1 :A 141 LEU HG : -0.546: 0
: 2244:A 141 LEU HA :A 141 LEU 2HD2 : -0.412: 0
: 2244:A 57 VAL HB :A 6 LEU 3HD1 : -0.544: 0
: 2244:A 57 VAL 2HG1 :A 137 VAL 2HG1 : -0.534: 0
: 2244:A 58 ARG O :A 135 GLY 2HA : -0.538: 0
: 2244:A 46 PRO 2HB :A 119 VAL HA : -0.536: 0
: 2244:A 67 TYR CE2 :A 100 LEU HG : -0.531: 0
: 2244:A 37 THR OG1 :A 34 ASN 1HB : -0.531: 0
: 2244:A 100 LEU HG :A 67 TYR HE2 : -0.487: 0
: 2244:A 100 LEU 1HD2 :A 65 GLN 2HG : -0.454: 0
: 2244:A 100 LEU CD2 :A 65 GLN 2HG : -0.433: 0
: 2244:A 65 GLN CG :A 100 LEU 1HD2 : -0.432: 0
: 2244:A 99 GLN 2HB :A 96 THR HB : -0.529: 0
: 2244:A 99 GLN H :A 97 GLU C : -0.405: 0
: 2244:A 63 VAL HB :A 132 SER 2HB : -0.518: 0
: 2244:A 77 SER 2HB :A 113 TYR 1HB : -0.517: 0
: 2244:A 55 LYS 1HB :A 139 SER O : -0.483: 0
: 2244:A 53 PHE O :A 55 LYS 1HG : -0.480: 0
: 2244:A 56 HIS 1HB :A 139 SER 2HB : -0.413: 0
: 2244:A 39 TRP 2HB :A 30 ILE CG1 : -0.471: 0
: 2244:A 39 TRP HE3 :A 128 VAL 2HG1 : -0.441: 0
: 2244:A 39 TRP 2HB :A 30 ILE 1HG1 : -0.419: 0
: 2244:A 90 GLU H :A 90 GLU CD : -0.467: 0
: 2244:A 76 LYS 2HG :A 111 ALA 2HB : -0.452: 0
: 2244:A 1 MET O :A 136 THR 2HG2 : -0.444: 0
: 2244:A 27 PRO 1HB :A 15 VAL 1HG2 : -0.432: 0
: 2244:A 2 ARG 1HH1 :A 2 ARG 2HD : -0.405: 0
#sum2 ::21.84 clashscore : 21.84 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:251992 potential dots:15750.0 A^2:49 bumps:49 bumps B<40:477.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 134 GLU 2HB :A 3 LYS 1HB : -0.949: 0
: 2244:A 4 ILE 2HG2 :A 135 GLY O : -0.466: 0
: 2244:A 58 ARG O :A 135 GLY 2HA : -0.439: 0
: 2244:A 3 LYS 2HG :A 3 LYS O : -0.423: 0
: 2244:A 134 GLU HA :A 4 ILE O : -0.418: 0
: 2244:A 38 PHE 2HB :A 129 HIS 1HB : -0.873: 0
: 2244:A 64 ILE 3HG2 :A 131 VAL 2HG1 : -0.855: 0
: 2244:A 47 GLN 1HB :A 118 ILE HB : -0.825: 0
: 2244:A 69 VAL 3HG1 :A 118 ILE 3HG2 : -0.566: 0
: 2244:A 8 LEU 1HB :A 11 GLU 1HB : -0.600: 0
: 2244:A 9 SER 1HB :A 31 ILE 2HG1 : -0.556: 0
: 2244:A 9 SER 1HB :A 31 ILE CG1 : -0.547: 0
: 2244:A 8 LEU HA :A 31 ILE O : -0.498: 0
: 2244:A 61 ARG 2HG :A 60 GLU 1HG : -0.597: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.517: 0
: 2244:A 89 ILE 1HD1 :A 107 ALA CB : -0.455: 0
: 2244:A 61 ARG HA :A 105 ILE O : -0.452: 0
: 2244:A 107 ALA 2HB :A 105 ILE 2HG2 : -0.420: 0
: 2244:A 89 ILE 1HD1 :A 107 ALA 1HB : -0.408: 0
: 2244:A 27 PRO 2HD :A 21 SER OG : -0.596: 0
: 2244:A 28 GLU OE1 :A 26 PRO 1HB : -0.567: 0
: 2244:A 27 PRO 2HD :A 26 PRO HA : -0.408: 0
: 2244:A 75 GLU 2HB :A 85 PHE 2HB : -0.595: 0
: 2244:A 75 GLU OE1 :A 87 GLN HA : -0.540: 0
: 2244:A 77 SER 1HB :A 113 TYR 1HB : -0.475: 0
: 2244:A 85 PHE CD2 :A 77 SER 2HB : -0.455: 0
: 2244:A 99 GLN 1HB :A 96 THR HB : -0.584: 0
: 2244:A 63 VAL HB :A 132 SER 2HB : -0.579: 0
: 2244:A 63 VAL HA :A 103 GLU O : -0.420: 0
: 2244:A 48 GLU HA :A 116 PHE O : -0.576: 0
: 2244:A 72 LEU 1HD1 :A 116 PHE HD2 : -0.430: 0
: 2244:A 44 MET HA :A 44 MET CE : -0.575: 0
: 2244:A 29 ASN HA :A 32 ASP 2HB : -0.574: 0
: 2244:A 53 PHE O :A 55 LYS 1HG : -0.556: 0
: 2244:A 117 ILE HB :A 73 LYS 2HB : -0.509: 0
: 2244:A 90 GLU HA :A 73 LYS HA : -0.400: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.499: 0
: 2244:A 6 LEU 1HB :A 133 ALA 3HB : -0.477: 0
: 2244:A 88 TRP CG :A 76 LYS 2HE : -0.446: 0
: 2244:A 101 GLN O :A 65 GLN HA : -0.437: 0
: 2244:A 71 THR HB :A 119 VAL HB : -0.429: 0
: 2244:A 17 LEU O :A 49 PHE HA : -0.414: 0
: 2244:A 141 LEU H :A 141 LEU HG : -0.404: 0
#sum2 ::19.16 clashscore : 19.16 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252117 potential dots:15760.0 A^2:43 bumps:43 bumps B<40:482 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 46 PRO 2HB :A 119 VAL HA : -0.909: 0
: 2244:A 46 PRO HA :A 45 PHE HA : -0.416: 0
: 2244:A 100 LEU HG :A 67 TYR HE1 : -0.885: 0
: 2244:A 100 LEU HG :A 67 TYR CE1 : -0.697: 0
: 2244:A 67 TYR HD2 :A 127 SER 2HB : -0.525: 0
: 2244:A 70 GLN H :A 69 VAL 2HG1 : -0.835: 0
: 2244:A 69 VAL 2HG1 :A 70 GLN N : -0.578: 0
: 2244:A 69 VAL HB :A 93 LEU 2HD1 : -0.491: 0
: 2244:A 121 ALA HA :A 70 GLN CB : -0.488: 0
: 2244:A 70 GLN O :A 92 ASP HA : -0.485: 0
: 2244:A 120 SER O :A 70 GLN 2HB : -0.459: 0
: 2244:A 70 GLN H :A 69 VAL CG1 : -0.441: 0
: 2244:A 75 GLU 1HG :A 85 PHE 2HB : -0.781: 0
: 2244:A 85 PHE CD1 :A 77 SER 2HB : -0.477: 0
: 2244:A 77 SER 1HB :A 113 TYR 1HB : -0.458: 0
: 2244:A 63 VAL HB :A 132 SER 2HB : -0.686: 0
: 2244:A 9 SER 1HB :A 31 ILE 2HD1 : -0.674: 0
: 2244:A 31 ILE 3HG2 :A 15 VAL 3HG1 : -0.408: 0
: 2244:A 117 ILE 1HD1 :A 115 ARG CZ : -0.653: 0
: 2244:A 73 LYS 2HE :A 117 ILE 2HD1 : -0.560: 0
: 2244:A 73 LYS CE :A 117 ILE 2HD1 : -0.469: 0
: 2244:A 117 ILE HB :A 73 LYS 2HB : -0.435: 0
: 2244:A 55 LYS 1HB :A 140 ASN HA : -0.651: 0
: 2244:A 140 ASN OD1 :A 55 LYS 1HD : -0.584: 0
: 2244:A 137 VAL HA :A 57 VAL 2HG1 : -0.530: 0
: 2244:A 57 VAL 3HG1 :A 55 LYS 2HG : -0.514: 0
: 2244:A 112 THR 2HG2 :A 55 LYS O : -0.404: 0
: 2244:A 6 LEU 1HB :A 133 ALA 3HB : -0.615: 0
: 2244:A 4 ILE 3HG2 :A 6 LEU HG : -0.539: 0
: 2244:A 16 ILE CG1 :A 50 ILE HB : -0.607: 0
: 2244:A 50 ILE HB :A 16 ILE 1HG1 : -0.550: 0
: 2244:A 17 LEU 1HB :A 16 ILE 2HG1 : -0.540: 0
: 2244:A 50 ILE CD1 :A 17 LEU 2HD2 : -0.435: 0
: 2244:A 38 PHE 1HB :A 129 HIS HA : -0.606: 0
: 2244:A 38 PHE CB :A 129 HIS HA : -0.506: 0
: 2244:A 74 ILE 2HD1 :A 89 ILE 2HG1 : -0.594: 0
: 2244:A 89 ILE 1HD1 :A 62 LEU 2HD1 : -0.529: 0
: 2244:A 64 ILE 1HG1 :A 105 ILE 3HD1 : -0.505: 0
: 2244:A 89 ILE 2HD1 :A 105 ILE 1HG2 : -0.498: 0
: 2244:A 105 ILE 2HD1 :A 105 ILE N : -0.426: 0
: 2244:A 72 LEU 1HD1 :A 116 PHE HD2 : -0.578: 0
: 2244:A 48 GLU HA :A 116 PHE O : -0.407: 0
: 2244:A 39 TRP HE3 :A 128 VAL 2HG1 : -0.575: 0
: 2244:A 128 VAL 3HG2 :A 66 SER 1HB : -0.444: 0
: 2244:A 39 TRP HE3 :A 128 VAL CG1 : -0.403: 0
: 2244:A 102 ASN N :A 102 ASN 2HD2 : -0.554: 0
: 2244:A 32 ASP 2HB :A 29 ASN 2HD2 : -0.498: 0
: 2244:A 29 ASN ND2 :A 32 ASP 2HB : -0.417: 0
: 2244:A 114 LEU HG :A 53 PHE HE2 : -0.491: 0
: 2244:A 80 LYS 2HG :A 81 GLU OE2 : -0.477: 0
: 2244:A 83 VAL 2HG2 :A 81 GLU 2HB : -0.414: 0
: 2244:A 44 MET O :A 47 GLN 2HB : -0.476: 0
: 2244:A 47 GLN 2HE2 :A 47 GLN 2HB : -0.420: 0
: 2244:A 44 MET SD :A 19 THR 2HG2 : -0.403: 0
: 2244:A 58 ARG O :A 135 GLY 2HA : -0.467: 0
: 2244:A 108 HIS HA :A 59 ILE O : -0.449: 0
: 2244:A 7 CYS SG :A 131 VAL 3HG2 : -0.441: 0
: 2244:A 27 PRO 2HD :A 26 PRO HA : -0.440: 0
#sum2 ::25.85 clashscore : 25.85 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252265 potential dots:15770.0 A^2:58 bumps:58 bumps B<40:442.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 70 GLN O :A 92 ASP HA : -0.771: 0
: 2244:A 72 LEU 1HD1 :A 116 PHE HD1 : -0.767: 0
: 2244:A 116 PHE 1HB :A 49 PHE CE1 : -0.450: 0
: 2244:A 9 SER 1HB :A 31 ILE 2HD1 : -0.753: 0
: 2244:A 9 SER 1HB :A 31 ILE CD1 : -0.642: 0
: 2244:A 11 GLU 1HG :A 8 LEU 1HB : -0.532: 0
: 2244:A 9 SER 1HB :A 31 ILE CG1 : -0.449: 0
: 2244:A 8 LEU HA :A 31 ILE O : -0.430: 0
: 2244:A 13 SER O :A 9 SER HA : -0.430: 0
: 2244:A 8 LEU HG :A 5 ASP CG : -0.400: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.747: 0
: 2244:A 104 GLU HA :A 62 LEU O : -0.478: 0
: 2244:A 89 ILE 1HD1 :A 107 ALA CB : -0.434: 0
: 2244:A 61 ARG HA :A 105 ILE O : -0.407: 0
: 2244:A 89 ILE 3HD1 :A 105 ILE CG2 : -0.405: 0
: 2244:A 108 HIS HA :A 59 ILE O : -0.744: 0
: 2244:A 53 PHE O :A 55 LYS 1HG : -0.619: 0
: 2244:A 137 VAL 2HG2 :A 57 VAL 2HG1 : -0.526: 0
: 2244:A 53 PHE CZ :A 59 ILE 1HD1 : -0.483: 0
: 2244:A 57 VAL 3HG1 :A 55 LYS 2HG : -0.472: 0
: 2244:A 55 LYS HA :A 141 LEU CD1 : -0.448: 0
: 2244:A 6 LEU 1HB :A 133 ALA 3HB : -0.735: 0
: 2244:A 4 ILE O :A 6 LEU HG : -0.473: 0
: 2244:A 77 SER 2HB :A 113 TYR 1HB : -0.723: 0
: 2244:A 117 ILE HB :A 73 LYS 2HB : -0.676: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.669: 0
: 2244:A 115 ARG 1HD :A 117 ILE CG1 : -0.576: 0
: 2244:A 115 ARG 2HG :A 50 ILE 1HG1 : -0.556: 0
: 2244:A 115 ARG 2HG :A 50 ILE CG1 : -0.518: 0
: 2244:A 115 ARG 2HB :A 75 GLU 2HB : -0.512: 0
: 2244:A 75 GLU CD :A 85 PHE 2HB : -0.495: 0
: 2244:A 48 GLU 1HB :A 115 ARG 2HD : -0.455: 0
: 2244:A 50 ILE 2HG1 :A 17 LEU 2HD2 : -0.452: 0
: 2244:A 73 LYS 2HD :A 117 ILE 2HD1 : -0.437: 0
: 2244:A 115 ARG 1HD :A 117 ILE 1HG1 : -0.413: 0
: 2244:A 88 TRP 1HB :A 76 LYS 1HB : -0.600: 0
: 2244:A 114 LEU 3HD2 :A 76 LYS HA : -0.501: 0
: 2244:A 76 LYS CB :A 88 TRP 1HB : -0.465: 0
: 2244:A 76 LYS 2HG :A 111 ALA 2HB : -0.407: 0
: 2244:A 60 GLU 1HG :A 2 ARG HE : -0.596: 0
: 2244:A 43 GLY H :A 41 THR 2HG2 : -0.565: 0
: 2244:A 124 HIS O :A 43 GLY 1HA : -0.524: 0
: 2244:A 47 GLN CG :A 118 ILE HB : -0.555: 0
: 2244:A 118 ILE 2HD1 :A 47 GLN NE2 : -0.499: 0
: 2244:A 30 ILE 2HG2 :A 27 PRO O : -0.554: 0
: 2244:A 26 PRO HA :A 22 ASP O : -0.505: 0
: 2244:A 38 PHE 1HB :A 128 VAL O : -0.475: 0
: 2244:A 127 SER 1HB :A 38 PHE HE1 : -0.438: 0
: 2244:A 22 ASP 2HB :A 25 HIS O : -0.411: 0
: 2244:A 27 PRO 2HD :A 26 PRO HA : -0.403: 0
: 2244:A 25 HIS 2HB :A 38 PHE O : -0.402: 0
: 2244:A 38 PHE CE1 :A 127 SER 1HB : -0.402: 0
: 2244:A 32 ASP CG :A 34 ASN 2HD2 : -0.512: 0
: 2244:A 99 GLN 1HB :A 96 THR HB : -0.488: 0
: 2244:A 83 VAL 2HG2 :A 81 GLU 1HB : -0.452: 0
: 2244:A 122 PHE HD2 :A 68 PHE HA : -0.440: 0
#sum2 ::24.96 clashscore : 24.96 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252251 potential dots:15770.0 A^2:56 bumps:56 bumps B<40:396.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 115 ARG 2HG :A 50 ILE 1HG1 : -0.823: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.582: 0
: 2244:A 115 ARG 1HD :A 117 ILE CG1 : -0.553: 0
: 2244:A 115 ARG 2HG :A 50 ILE CG1 : -0.548: 0
: 2244:A 72 LEU 1HD1 :A 116 PHE HD2 : -0.535: 0
: 2244:A 48 GLU HA :A 116 PHE O : -0.531: 0
: 2244:A 48 GLU OE2 :A 115 ARG 2HD : -0.527: 0
: 2244:A 115 ARG 1HD :A 117 ILE 2HG1 : -0.510: 0
: 2244:A 117 ILE HB :A 73 LYS 2HB : -0.501: 0
: 2244:A 18 ALA HA :A 48 GLU O : -0.449: 0
: 2244:A 16 ILE O :A 50 ILE HB : -0.445: 0
: 2244:A 115 ARG 1HD :A 117 ILE CD1 : -0.407: 0
: 2244:A 125 PHE 1HB :A 41 THR HB : -0.822: 0
: 2244:A 43 GLY H :A 41 THR 2HG2 : -0.744: 0
: 2244:A 41 THR HB :A 125 PHE CB : -0.593: 0
: 2244:A 124 HIS O :A 43 GLY 1HA : -0.421: 0
: 2244:A 47 GLN 2HG :A 118 ILE HB : -0.778: 0
: 2244:A 47 GLN CG :A 118 ILE HB : -0.631: 0
: 2244:A 93 LEU 2HB :A 69 VAL O : -0.451: 0
: 2244:A 69 VAL 2HG2 :A 126 ALA 1HB : -0.445: 0
: 2244:A 67 TYR O :A 68 PHE 1HB : -0.412: 0
: 2244:A 67 TYR C :A 69 VAL H : -0.407: 0
: 2244:A 69 VAL 3HG1 :A 118 ILE 3HG2 : -0.402: 0
: 2244:A 7 CYS SG :A 132 SER HA : -0.764: 0
: 2244:A 7 CYS O :A 31 ILE HB : -0.613: 0
: 2244:A 7 CYS CB :A 132 SER HA : -0.566: 0
: 2244:A 63 VAL HB :A 132 SER OG : -0.555: 0
: 2244:A 7 CYS 2HB :A 132 SER HA : -0.477: 0
: 2244:A 27 PRO 2HB :A 39 TRP CD1 : -0.705: 0
: 2244:A 30 ILE 2HG2 :A 27 PRO O : -0.477: 0
: 2244:A 128 VAL 1HG1 :A 30 ILE 1HD1 : -0.415: 0
: 2244:A 89 ILE HB :A 74 ILE HB : -0.693: 0
: 2244:A 89 ILE 1HD1 :A 107 ALA CB : -0.543: 0
: 2244:A 6 LEU 2HD2 :A 57 VAL 1HG1 : -0.648: 0
: 2244:A 6 LEU 1HB :A 133 ALA 3HB : -0.588: 0
: 2244:A 4 ILE O :A 6 LEU HG : -0.421: 0
: 2244:A 101 GLN 1HE2 :A 94 VAL HB : -0.638: 0
: 2244:A 83 VAL 2HG2 :A 81 GLU 1HB : -0.601: 0
: 2244:A 17 LEU O :A 49 PHE HA : -0.572: 0
: 2244:A 17 LEU 3HD2 :A 17 LEU C : -0.408: 0
: 2244:A 52 CYS SG :A 14 GLU 2HB : -0.567: 0
: 2244:A 70 GLN O :A 92 ASP HA : -0.565: 0
: 2244:A 61 ARG 1HH1 :A 61 ARG 2HG : -0.554: 0
: 2244:A 106 VAL HA :A 61 ARG 2HB : -0.401: 0
: 2244:A 77 SER 1HB :A 113 TYR 1HB : -0.508: 0
: 2244:A 53 PHE C :A 55 LYS H : -0.497: 0
: 2244:A 54 HIS 2HB :A 141 LEU 1HD2 : -0.440: 0
: 2244:A 54 HIS 1HB :A 53 PHE O : -0.425: 0
: 2244:A 60 GLU OE2 :A 108 HIS HD2 : -0.491: 0
: 2244:A 76 LYS 2HG :A 111 ALA 2HB : -0.491: 0
: 2244:A 114 LEU 3HD2 :A 76 LYS HA : -0.444: 0
: 2244:A 58 ARG HA :A 110 SER HA : -0.430: 0
: 2244:A 110 SER O :A 76 LYS 1HD : -0.416: 0
: 2244:A 65 GLN 1HB :A 130 SER H : -0.469: 0
: 2244:A 104 GLU 2HG :A 104 GLU O : -0.420: 0
: 2244:A 99 GLN 1HB :A 96 THR HB : -0.401: 0
#sum2 ::24.96 clashscore : 24.96 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252377 potential dots:15770.0 A^2:56 bumps:56 bumps B<40:433.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 70 GLN H :A 69 VAL 2HG1 : -0.894: 0
: 2244:A 93 LEU 1HB :A 69 VAL HB : -0.588: 0
: 2244:A 70 GLN H :A 69 VAL CG1 : -0.490: 0
: 2244:A 45 PHE CD1 :A 120 SER HA : -0.484: 0
: 2244:A 121 ALA HA :A 70 GLN CB : -0.472: 0
: 2244:A 69 VAL 2HG1 :A 70 GLN N : -0.456: 0
: 2244:A 121 ALA HA :A 70 GLN 1HB : -0.452: 0
: 2244:A 120 SER O :A 70 GLN 2HB : -0.425: 0
: 2244:A 22 ASP 2HB :A 25 HIS 1HB : -0.849: 0
: 2244:A 22 ASP 2HB :A 25 HIS CB : -0.467: 0
: 2244:A 8 LEU 1HB :A 11 GLU 1HB : -0.714: 0
: 2244:A 7 CYS O :A 31 ILE HB : -0.704: 0
: 2244:A 8 LEU HA :A 31 ILE O : -0.648: 0
: 2244:A 31 ILE 2HG1 :A 9 SER 2HB : -0.605: 0
: 2244:A 31 ILE 3HG2 :A 30 ILE 3HG2 : -0.562: 0
: 2244:A 30 ILE 2HG2 :A 27 PRO O : -0.519: 0
: 2244:A 128 VAL 1HG1 :A 30 ILE 1HD1 : -0.465: 0
: 2244:A 7 CYS CB :A 132 SER HA : -0.462: 0
: 2244:A 27 PRO 2HD :A 26 PRO HA : -0.453: 0
: 2244:A 39 TRP HE3 :A 128 VAL 2HG1 : -0.407: 0
: 2244:A 81 GLU 2HB :A 82 PRO 1HD : -0.671: 0
: 2244:A 2 ARG HA :A 136 THR 3HG2 : -0.641: 0
: 2244:A 4 ILE O :A 6 LEU HG : -0.628: 0
: 2244:A 17 LEU O :A 49 PHE HA : -0.625: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.597: 0
: 2244:A 115 ARG 2HB :A 75 GLU 1HB : -0.571: 0
: 2244:A 73 LYS 2HG :A 90 GLU 1HG : -0.549: 0
: 2244:A 87 GLN HA :A 75 GLU OE2 : -0.491: 0
: 2244:A 90 GLU 1HG :A 73 LYS HA : -0.490: 0
: 2244:A 117 ILE 1HD1 :A 115 ARG CZ : -0.454: 0
: 2244:A 87 GLN 1HG :A 73 LYS 1HZ : -0.441: 0
: 2244:A 117 ILE HB :A 73 LYS 2HB : -0.417: 0
: 2244:A 140 ASN 1HB :A 137 VAL 1HG1 : -0.568: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.566: 0
: 2244:A 122 PHE CB :A 95 HIS 1HB : -0.564: 0
: 2244:A 43 GLY H :A 41 THR 2HG2 : -0.549: 0
: 2244:A 41 THR 1HG2 :A 47 GLN 1HG : -0.421: 0
: 2244:A 141 LEU H :A 141 LEU 2HD2 : -0.528: 0
: 2244:A 54 HIS O :A 141 LEU 1HD2 : -0.456: 0
: 2244:A 54 HIS 1HB :A 53 PHE O : -0.432: 0
: 2244:A 141 LEU N :A 141 LEU 2HD2 : -0.417: 0
: 2244:A 72 LEU 1HD1 :A 116 PHE HD2 : -0.525: 0
: 2244:A 85 PHE CD2 :A 77 SER 2HB : -0.513: 0
: 2244:A 77 SER 1HB :A 113 TYR 1HB : -0.468: 0
: 2244:A 55 LYS 1HB :A 139 SER O : -0.498: 0
: 2244:A 57 VAL 3HG1 :A 55 LYS 2HG : -0.498: 0
: 2244:A 56 HIS 1HB :A 139 SER 2HB : -0.469: 0
: 2244:A 88 TRP 1HB :A 76 LYS 1HB : -0.464: 0
: 2244:A 88 TRP 1HB :A 76 LYS CB : -0.401: 0
: 2244:A 64 ILE HB :A 103 GLU 2HB : -0.442: 0
: 2244:A 59 ILE CD1 :A 114 LEU 1HD1 : -0.427: 0
: 2244:A 59 ILE 3HD1 :A 114 LEU 1HD1 : -0.418: 0
: 2244:A 46 PRO 2HB :A 119 VAL HA : -0.426: 0
: 2244:A 71 THR HB :A 119 VAL HB : -0.404: 0
: 2244:A 63 VAL O :A 131 VAL HA : -0.411: 0
: 2244:A 89 ILE 1HD1 :A 107 ALA CB : -0.406: 0
#sum2 ::24.96 clashscore : 24.96 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252315 potential dots:15770.0 A^2:56 bumps:56 bumps B<40:429.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 104 GLU 2HB :A 61 ARG 1HD : -0.767: 0
: 2244:A 73 LYS 2HG :A 90 GLU 2HB : -0.763: 0
: 2244:A 117 ILE HB :A 73 LYS 2HB : -0.609: 0
: 2244:A 90 GLU HA :A 73 LYS HA : -0.534: 0
: 2244:A 22 ASP 2HB :A 25 HIS 1HB : -0.722: 0
: 2244:A 46 PRO 2HB :A 119 VAL HA : -0.660: 0
: 2244:A 71 THR HB :A 119 VAL HB : -0.458: 0
: 2244:A 91 LYS 2HD :A 89 ILE 2HG2 : -0.657: 0
: 2244:A 91 LYS 2HE :A 91 LYS N : -0.587: 0
: 2244:A 91 LYS CG :A 93 LEU HG : -0.464: 0
: 2244:A 91 LYS 2HD :A 89 ILE CG2 : -0.460: 0
: 2244:A 9 SER 1HB :A 31 ILE 2HD1 : -0.656: 0
: 2244:A 8 LEU HA :A 31 ILE O : -0.474: 0
: 2244:A 9 SER 1HB :A 31 ILE CD1 : -0.455: 0
: 2244:A 37 THR 2HG2 :A 38 PHE H : -0.634: 0
: 2244:A 37 THR 2HG2 :A 38 PHE N : -0.457: 0
: 2244:A 65 GLN 1HG :A 102 ASN 2HB : -0.633: 0
: 2244:A 64 ILE 3HG2 :A 131 VAL 2HG1 : -0.598: 0
: 2244:A 102 ASN HA :A 64 ILE O : -0.520: 0
: 2244:A 65 GLN NE2 :A 130 SER 1HB : -0.425: 0
: 2244:A 51 ILE 1HG1 :A 15 VAL 2HG1 : -0.626: 0
: 2244:A 115 ARG 2HB :A 75 GLU CB : -0.624: 0
: 2244:A 115 ARG 2HB :A 75 GLU 2HB : -0.515: 0
: 2244:A 16 ILE 1HG1 :A 17 LEU N : -0.480: 0
: 2244:A 17 LEU H :A 16 ILE 1HG1 : -0.441: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.433: 0
: 2244:A 115 ARG 2HG :A 50 ILE 1HG1 : -0.407: 0
: 2244:A 63 VAL HB :A 132 SER 2HB : -0.623: 0
: 2244:A 7 CYS SG :A 132 SER HA : -0.610: 0
: 2244:A 7 CYS 2HB :A 132 SER HA : -0.472: 0
: 2244:A 7 CYS CB :A 132 SER HA : -0.457: 0
: 2244:A 70 GLN H :A 69 VAL 2HG1 : -0.600: 0
: 2244:A 94 VAL 1HG2 :A 69 VAL C : -0.595: 0
: 2244:A 70 GLN O :A 92 ASP HA : -0.588: 0
: 2244:A 122 PHE 1HB :A 68 PHE HD1 : -0.442: 0
: 2244:A 70 GLN 2HG :A 122 PHE HE1 : -0.439: 0
: 2244:A 121 ALA HA :A 70 GLN CB : -0.411: 0
: 2244:A 94 VAL HB :A 122 PHE CZ : -0.406: 0
: 2244:A 39 TRP HE3 :A 128 VAL 2HG1 : -0.543: 0
: 2244:A 39 TRP HE3 :A 128 VAL CG1 : -0.470: 0
: 2244:A 58 ARG O :A 135 GLY 2HA : -0.531: 0
: 2244:A 4 ILE 2HG2 :A 135 GLY O : -0.494: 0
: 2244:A 114 LEU HG :A 53 PHE HE2 : -0.530: 0
: 2244:A 134 GLU 2HB :A 3 LYS 1HB : -0.502: 0
: 2244:A 3 LYS 1HG :A 1 MET SD : -0.473: 0
: 2244:A 96 THR 2HG2 :A 101 GLN 1HB : -0.486: 0
: 2244:A 141 LEU 1HD1 :A 80 LYS 1HE : -0.486: 0
: 2244:A 47 GLN OE1 :A 41 THR HB : -0.486: 0
: 2244:A 80 LYS 2HB :A 80 LYS NZ : -0.479: 0
: 2244:A 27 PRO 2HD :A 26 PRO HA : -0.481: 0
: 2244:A 72 LEU 1HD1 :A 116 PHE HD2 : -0.480: 0
: 2244:A 127 SER HA :A 40 THR HA : -0.474: 0
: 2244:A 60 GLU CD :A 2 ARG 1HH2 : -0.472: 0
: 2244:A 76 LYS 2HG :A 111 ALA 2HB : -0.464: 0
: 2244:A 85 PHE CD2 :A 77 SER 2HB : -0.463: 0
: 2244:A 129 HIS O :A 30 ILE HA : -0.457: 0
: 2244:A 34 ASN C :A 36 GLU H : -0.438: 0
: 2244:A 32 ASP OD2 :A 34 ASN 1HB : -0.423: 0
: 2244:A 6 LEU 1HB :A 133 ALA 3HB : -0.416: 0
: 2244:A 52 CYS O :A 13 SER HA : -0.410: 0
: 2244:A 59 ILE O :A 108 HIS HA : -0.403: 0
#sum2 ::27.18 clashscore : 27.18 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252198 potential dots:15760.0 A^2:61 bumps:61 bumps B<40:430.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 55 LYS 1HB :A 140 ASN HA : -0.936: 0
: 2244:A 6 LEU HA :A 11 GLU 2HG : -0.652: 0
: 2244:A 140 ASN HA :A 55 LYS CB : -0.650: 0
: 2244:A 57 VAL HB :A 6 LEU 3HD1 : -0.598: 0
: 2244:A 57 VAL 3HG1 :A 55 LYS 2HG : -0.463: 0
: 2244:A 128 VAL 3HG2 :A 66 SER 1HB : -0.906: 0
: 2244:A 39 TRP HE3 :A 128 VAL 2HG1 : -0.591: 0
: 2244:A 77 SER 1HB :A 113 TYR 1HB : -0.793: 0
: 2244:A 74 ILE 2HD1 :A 89 ILE 2HG1 : -0.763: 0
: 2244:A 91 LYS 2HG :A 105 ILE 3HD1 : -0.722: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.662: 0
: 2244:A 91 LYS 2HE :A 91 LYS 2HB : -0.405: 0
: 2244:A 131 VAL 2HG2 :A 64 ILE 3HG2 : -0.713: 0
: 2244:A 131 VAL 3HG1 :A 64 ILE 1HG1 : -0.454: 0
: 2244:A 73 LYS CG :A 117 ILE HB : -0.695: 0
: 2244:A 73 LYS 2HG :A 117 ILE HB : -0.661: 0
: 2244:A 90 GLU HA :A 73 LYS HA : -0.581: 0
: 2244:A 67 TYR HE2 :A 100 LEU 2HD2 : -0.671: 0
: 2244:A 100 LEU 2HD2 :A 67 TYR CE2 : -0.566: 0
: 2244:A 100 LEU HA :A 67 TYR HE2 : -0.480: 0
: 2244:A 100 LEU 1HD1 :A 65 GLN OE1 : -0.454: 0
: 2244:A 29 ASN 1HB :A 37 THR 1HG2 : -0.667: 0
: 2244:A 8 LEU HA :A 31 ILE O : -0.664: 0
: 2244:A 14 GLU HA :A 31 ILE CD1 : -0.454: 0
: 2244:A 31 ILE 3HD1 :A 14 GLU HA : -0.440: 0
: 2244:A 47 GLN OE1 :A 19 THR HB : -0.654: 0
: 2244:A 72 LEU 1HD1 :A 116 PHE 2HB : -0.632: 0
: 2244:A 47 GLN 2HB :A 118 ILE HB : -0.556: 0
: 2244:A 41 THR 2HG2 :A 47 GLN 2HE2 : -0.554: 0
: 2244:A 72 LEU 3HD1 :A 118 ILE 1HG1 : -0.437: 0
: 2244:A 48 GLU HA :A 116 PHE O : -0.426: 0
: 2244:A 122 PHE HD2 :A 68 PHE HA : -0.642: 0
: 2244:A 68 PHE O :A 121 ALA 1HB : -0.421: 0
: 2244:A 122 PHE HD2 :A 68 PHE CA : -0.404: 0
: 2244:A 17 LEU O :A 49 PHE HA : -0.629: 0
: 2244:A 1 MET 2HG :A 3 LYS H : -0.619: 0
: 2244:A 136 THR CG2 :A 2 ARG HA : -0.609: 0
: 2244:A 2 ARG HA :A 136 THR 3HG2 : -0.454: 0
: 2244:A 3 LYS 2HG :A 2 ARG 2HG : -0.420: 0
: 2244:A 108 HIS HA :A 59 ILE O : -0.579: 0
: 2244:A 108 HIS CE1 :A 60 GLU 1HG : -0.557: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.574: 0
: 2244:A 134 GLU HA :A 4 ILE O : -0.541: 0
: 2244:A 75 GLU CD :A 85 PHE 2HB : -0.535: 0
: 2244:A 85 PHE 2HB :A 75 GLU CG : -0.459: 0
: 2244:A 75 GLU 1HG :A 85 PHE 2HB : -0.443: 0
: 2244:A 7 CYS 1HB :A 132 SER HA : -0.527: 0
: 2244:A 5 ASP 2HB :A 132 SER 2HB : -0.503: 0
: 2244:A 76 LYS 1HG :A 86 GLU O : -0.495: 0
: 2244:A 46 PRO C :A 45 PHE HA : -0.487: 0
: 2244:A 104 GLU CD :A 61 ARG 2HD : -0.455: 0
: 2244:A 61 ARG 2HD :A 104 GLU CG : -0.402: 0
: 2244:A 80 LYS 2HG :A 81 GLU CD : -0.434: 0
: 2244:A 80 LYS 2HG :A 81 GLU OE2 : -0.422: 0
: 2244:A 27 PRO 2HD :A 26 PRO HA : -0.420: 0
: 2244:A 70 GLN O :A 92 ASP HA : -0.414: 0
#sum2 ::24.96 clashscore : 24.96 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252129 potential dots:15760.0 A^2:56 bumps:56 bumps B<40:394.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2244:A 75 GLU 2HB :A 85 PHE 2HB : -0.994: 0
: 2244:A 74 ILE 2HD1 :A 89 ILE 2HG1 : -0.953: 0
: 2244:A 74 ILE 2HD1 :A 89 ILE CG1 : -0.451: 0
: 2244:A 107 ALA CB :A 89 ILE 3HD1 : -0.417: 0
: 2244:A 70 GLN H :A 69 VAL 2HG1 : -0.873: 0
: 2244:A 70 GLN O :A 92 ASP HA : -0.550: 0
: 2244:A 69 VAL 2HG1 :A 70 GLN N : -0.541: 0
: 2244:A 70 GLN H :A 69 VAL CG1 : -0.462: 0
: 2244:A 121 ALA HA :A 70 GLN CB : -0.403: 0
: 2244:A 46 PRO 2HB :A 119 VAL HA : -0.834: 0
: 2244:A 47 GLN 2HG :A 41 THR 2HG2 : -0.777: 0
: 2244:A 47 GLN OE1 :A 19 THR HB : -0.432: 0
: 2244:A 53 PHE HE2 :A 114 LEU 1HB : -0.724: 0
: 2244:A 114 LEU 1HB :A 53 PHE CE2 : -0.446: 0
: 2244:A 114 LEU 2HD2 :A 114 LEU HA : -0.415: 0
: 2244:A 53 PHE O :A 54 HIS 1HB : -0.403: 0
: 2244:A 55 LYS H :A 53 PHE C : -0.400: 0
: 2244:A 100 LEU 3HD2 :A 67 TYR HD2 : -0.716: 0
: 2244:A 100 LEU C :A 100 LEU 3HD1 : -0.413: 0
: 2244:A 35 PRO HA :A 129 HIS CE1 : -0.684: 0
: 2244:A 108 HIS HA :A 59 ILE O : -0.677: 0
: 2244:A 99 GLN 1HB :A 96 THR HB : -0.671: 0
: 2244:A 58 ARG O :A 135 GLY 2HA : -0.663: 0
: 2244:A 105 ILE HB :A 62 LEU 1HB : -0.639: 0
: 2244:A 73 LYS 2HE :A 117 ILE 2HD1 : -0.639: 0
: 2244:A 73 LYS 2HG :A 117 ILE HB : -0.546: 0
: 2244:A 73 LYS 2HE :A 117 ILE CD1 : -0.544: 0
: 2244:A 39 TRP HE3 :A 128 VAL 2HG1 : -0.614: 0
: 2244:A 128 VAL 3HG2 :A 66 SER 1HB : -0.527: 0
: 2244:A 6 LEU HA :A 11 GLU 2HG : -0.599: 0
: 2244:A 8 LEU 1HB :A 11 GLU 1HB : -0.564: 0
: 2244:A 8 LEU HA :A 31 ILE O : -0.554: 0
: 2244:A 9 SER 2HB :A 31 ILE 2HD1 : -0.470: 0
: 2244:A 4 ILE 3HG2 :A 6 LEU HG : -0.468: 0
: 2244:A 57 VAL HB :A 6 LEU 3HD1 : -0.468: 0
: 2244:A 9 SER 2HB :A 31 ILE CD1 : -0.415: 0
: 2244:A 8 LEU HG :A 5 ASP 2HB : -0.405: 0
: 2244:A 17 LEU O :A 49 PHE HA : -0.596: 0
: 2244:A 83 VAL 2HG2 :A 81 GLU 1HB : -0.511: 0
: 2244:A 51 ILE 1HG1 :A 15 VAL 2HG1 : -0.507: 0
: 2244:A 16 ILE 3HG2 :A 50 ILE HB : -0.504: 0
: 2244:A 50 ILE HA :A 115 ARG HA : -0.416: 0
: 2244:A 34 ASN N :A 34 ASN 2HD2 : -0.499: 0
: 2244:A 7 CYS 2HB :A 132 SER HA : -0.477: 0
: 2244:A 7 CYS CB :A 132 SER HA : -0.422: 0
: 2244:A 7 CYS SG :A 131 VAL 3HG2 : -0.406: 0
: 2244:A 2 ARG 1HD :A 60 GLU OE1 : -0.433: 0
: 2244:A 2 ARG HA :A 136 THR 3HG2 : -0.422: 0
: 2244:A 136 THR CG2 :A 2 ARG HA : -0.402: 0
: 2244:A 52 CYS O :A 13 SER HA : -0.415: 0
#sum2 ::22.28 clashscore : 22.28 clashscore B<40
#summary::2244 atoms:2244 atoms B<40:252222 potential dots:15760.0 A^2:50 bumps:50 bumps B<40:435.3 score
Output from PDB validation software
Summary from PDB validation
May. 10, 05:12:34 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
Chain Atom Res Seq Chain Atom Res Seq Mol_ID Distance
-------------------------------------------------------------------------
A 2HB GLU 75 - A 2HB PHE 85 20 Dist = 1.28
A 1HB SER 77 - A 1HB TYR 113 6 Dist = 1.30
A HE1 TYR 67 - A HG LEU 100 14 Dist = 1.32
A HB THR 96 - A 1HB GLN 99 11 Dist = 1.32
A HH TYR 67 - A 1HD2 LEU 100 1 Dist = 1.35
A HA ARG 2 - A 3HG2 THR 136 10 Dist = 1.36
A HE3 TRP 39 - A 3HG1 VAL 128 1 Dist = 1.37
A 1HB LYS 3 - A 2HB GLU 134 13 Dist = 1.39
A 2HB ASN 34 - A 1HG GLU 36 11 Dist = 1.40
A 2HG2 ILE 16 - A HB ILE 50 12 Dist = 1.40
A 2HD1 ILE 74 - A 2HG1 ILE 89 20 Dist = 1.41
A 1HB ASP 22 - A 1HB HIS 25 4 Dist = 1.42
A 2HD1 LEU 72 - A HD2 PHE 116 5 Dist = 1.44
A 2HD1 LEU 72 - A HD1 PHE 116 15 Dist = 1.44
A HG1 THR 40 - A 1HB PHE 125 9 Dist = 1.44
A 1HB LYS 55 - A HA ASN 140 19 Dist = 1.44
A 2HB PRO 46 - A HA VAL 119 14 Dist = 1.44
A 2HB PRO 46 - A HA VAL 119 5 Dist = 1.45
A 1HB LEU 62 - A HB ILE 105 10 Dist = 1.45
A 2HB SER 66 - A 3HG2 VAL 128 19 Dist = 1.46
A HE2 PHE 53 - A 1HB LEU 114 20 Dist = 1.46
A HB THR 96 - A 1HB GLN 99 4 Dist = 1.46
A HB VAL 63 - A 1HB SER 132 5 Dist = 1.46
A 2HG2 THR 96 - A 2HE2 GLN 99 5 Dist = 1.47
A 3HG2 THR 41 - A H GLY 43 16 Dist = 1.48
A 2HB PHE 38 - A 1HB HIS 129 13 Dist = 1.48
A HE3 TRP 39 - A 3HG1 VAL 128 4 Dist = 1.48
A 2HG2 ILE 64 - A 2HG1 VAL 131 4 Dist = 1.48
A HD2 TYR 67 - A 2HD2 LEU 100 20 Dist = 1.48
A HE3 TRP 39 - A 3HG1 VAL 128 7 Dist = 1.49
A HE3 TRP 39 - A 3HG1 VAL 128 10 Dist = 1.49
A 2HB ASP 22 - A 1HB HIS 25 17 Dist = 1.49
A 2HB HIS 56 - A 2HB SER 139 11 Dist = 1.49
A HE2 TYR 67 - A 3HD2 LEU 100 19 Dist = 1.50
A 2HG2 ILE 64 - A 1HG1 VAL 131 13 Dist = 1.50
A 3HG2 THR 41 - A H GLY 43 3 Dist = 1.51
A HB THR 41 - A 1HB PHE 125 16 Dist = 1.52
A 2HB PRO 46 - A HA VAL 119 1 Dist = 1.53
A 2HB PRO 46 - A HA VAL 119 20 Dist = 1.53
A 2HB LYS 73 - A HB ILE 117 1 Dist = 1.54
A HB VAL 94 - A 1HE2 GLN 101 16 Dist = 1.54
A HE3 TRP 39 - A 1HG1 VAL 128 8 Dist = 1.54
A 2HB SER 77 - A 1HB TYR 113 3 Dist = 1.54
A 1HB LYS 73 - A HB ILE 117 8 Dist = 1.54
A 2HB SER 77 - A 1HB TYR 113 19 Dist = 1.54
A 1HD LYS 55 - A HA ASN 140 2 Dist = 1.55
A 1HB SER 77 - A 1HB TYR 113 4 Dist = 1.55
A 1HG1 ILE 50 - A 2HG ARG 115 16 Dist = 1.55
A 1HB SER 77 - A 1HB TYR 113 7 Dist = 1.55
A HG CYS 7 - A HE1 PHE 53 5 Dist = 1.55
A HA PHE 68 - A HD2 PHE 122 19 Dist = 1.55
A 2HB PRO 46 - A HA VAL 119 11 Dist = 1.55
A 1HB GLN 47 - A HB ILE 118 13 Dist = 1.55
A 1HB SER 9 - A 3HD1 ILE 31 1 Dist = 1.55
A 1HG2 VAL 15 - A 1HB PRO 27 4 Dist = 1.56
A 1HB LYS 55 - A HG SER 139 5 Dist = 1.56
A 1HG1 ILE 50 - A 2HG ARG 115 7 Dist = 1.56
A 2HG LYS 76 - A 1HB GLU 86 7 Dist = 1.57
A OE1 GLU 11 - A 3HZ LYS 55 13 Dist = 1.57
A 2HB GLU 75 - A 2HB ARG 115 3 Dist = 1.57
A 3HZ LYS 3 - A OE1 GLU 134 11 Dist = 1.57
A 3HG2 ILE 64 - A 1HG1 VAL 131 10 Dist = 1.57
A 2HG2 THR 41 - A 2HG GLN 47 20 Dist = 1.57
A OE1 GLU 75 - A 1HH2 ARG 115 19 Dist = 1.57
A 1HB LEU 62 - A HB ILE 105 11 Dist = 1.57
A 3HD1 LEU 72 - A HD2 PHE 116 11 Dist = 1.57
A 3HZ LYS 3 - A OE2 GLU 134 15 Dist = 1.57
A 1HG GLU 75 - A 1HB PHE 85 3 Dist = 1.57
A 1HD PRO 26 - A 1HG2 THR 37 9 Dist = 1.58
A 2HB LYS 73 - A HB ILE 117 5 Dist = 1.58
A 3HZ LYS 91 - A OE2 GLU 103 2 Dist = 1.58
A 2HZ LYS 3 - A OE2 GLU 134 18 Dist = 1.58
A 2HB ARG 61 - A 1HB GLU 134 2 Dist = 1.58
A 2HB SER 77 - A 1HB TYR 113 8 Dist = 1.58
A 1HD1 ILE 74 - A 2HG1 ILE 89 19 Dist = 1.58
A HE ARG 2 - A 1HG GLU 60 15 Dist = 1.58
A HE3 TRP 39 - A 1HG1 VAL 128 20 Dist = 1.59
A 1HD ARG 61 - A 2HB GLU 104 18 Dist = 1.59
A 3HZ LYS 3 - A OE1 GLU 60 1 Dist = 1.59
A 3HZ LYS 3 - A OE2 GLU 134 3 Dist = 1.59
A 2HG GLN 47 - A HB ILE 118 16 Dist = 1.59
A 1HG GLU 75 - A 2HB PHE 85 14 Dist = 1.59
A 3HD1 ILE 74 - A 2HG1 ILE 89 7 Dist = 1.59
A OE1 GLU 11 - A 1HZ LYS 55 19 Dist = 1.59
A OE1 GLU 14 - A HE2 HIS 54 8 Dist = 1.60
A OE1 GLU 11 - A 2HZ LYS 55 3 Dist = 1.60
A 2HB SER 9 - A 3HD1 ILE 31 15 Dist = 1.60
A HD2 TYR 67 - A HG LEU 100 5 Dist = 1.60
A 2HG2 ILE 16 - A HB ILE 50 1 Dist = 1.60
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.004 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.6 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
--------------------------------------------------------------------------------
-4.0 LEU A 100 5 N - CA - C 107.2 111.2
-3.9 ASN A 102 20 N - CA - C 107.3 111.2
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A ASN 29 1HD2
1 A ASN 29 2HD2
1 A ASN 34 1HD2
1 A ASN 34 2HD2
1 A GLN 47 1HE2
1 A GLN 47 2HE2
1 A GLN 65 1HE2
1 A GLN 65 2HE2
1 A GLN 70 1HE2
1 A GLN 70 2HE2
1 A GLN 87 1HE2
1 A GLN 87 2HE2
1 A GLN 99 1HE2
1 A GLN 99 2HE2
1 A GLN 101 1HE2
1 A GLN 101 2HE2
1 A ASN 102 1HD2
1 A ASN 102 2HD2
1 A ASN 140 1HD2
1 A ASN 140 2HD2
2 A ASN 29 1HD2
2 A ASN 29 2HD2
2 A ASN 34 1HD2
2 A ASN 34 2HD2
2 A GLN 47 1HE2
2 A GLN 47 2HE2
2 A GLN 65 1HE2
2 A GLN 65 2HE2
2 A GLN 70 1HE2
2 A GLN 70 2HE2
2 A GLN 87 1HE2
2 A GLN 87 2HE2
2 A GLN 99 1HE2
2 A GLN 99 2HE2
2 A GLN 101 1HE2
2 A GLN 101 2HE2
2 A ASN 102 1HD2
2 A ASN 102 2HD2
2 A ASN 140 1HD2
2 A ASN 140 2HD2
3 A ASN 29 1HD2
3 A ASN 29 2HD2
3 A ASN 34 1HD2
3 A ASN 34 2HD2
3 A GLN 47 1HE2
3 A GLN 47 2HE2
3 A GLN 65 1HE2
3 A GLN 65 2HE2
3 A GLN 70 1HE2
3 A GLN 70 2HE2
3 A GLN 87 1HE2
3 A GLN 87 2HE2
3 A GLN 99 1HE2
3 A GLN 99 2HE2
3 A GLN 101 1HE2
3 A GLN 101 2HE2
3 A ASN 102 1HD2
3 A ASN 102 2HD2
3 A ASN 140 1HD2
3 A ASN 140 2HD2
4 A ASN 29 1HD2
4 A ASN 29 2HD2
4 A ASN 34 1HD2
4 A ASN 34 2HD2
4 A GLN 47 1HE2
4 A GLN 47 2HE2
4 A GLN 65 1HE2
4 A GLN 65 2HE2
4 A GLN 70 1HE2
4 A GLN 70 2HE2
4 A GLN 87 1HE2
4 A GLN 87 2HE2
4 A GLN 99 1HE2
4 A GLN 99 2HE2
4 A GLN 101 1HE2
4 A GLN 101 2HE2
4 A ASN 102 1HD2
4 A ASN 102 2HD2
4 A ASN 140 1HD2
4 A ASN 140 2HD2
5 A ASN 29 1HD2
5 A ASN 29 2HD2
5 A ASN 34 1HD2
5 A ASN 34 2HD2
5 A GLN 47 1HE2
5 A GLN 47 2HE2
5 A GLN 65 1HE2
5 A GLN 65 2HE2
5 A GLN 70 1HE2
5 A GLN 70 2HE2
5 A GLN 87 1HE2
5 A GLN 87 2HE2
5 A GLN 99 1HE2
5 A GLN 99 2HE2
5 A GLN 101 1HE2
5 A GLN 101 2HE2
5 A ASN 102 1HD2
5 A ASN 102 2HD2
5 A ASN 140 1HD2
5 A ASN 140 2HD2
6 A ASN 29 1HD2
6 A ASN 29 2HD2
6 A ASN 34 1HD2
6 A ASN 34 2HD2
6 A GLN 47 1HE2
6 A GLN 47 2HE2
6 A GLN 65 1HE2
6 A GLN 65 2HE2
6 A GLN 70 1HE2
6 A GLN 70 2HE2
6 A GLN 87 1HE2
6 A GLN 87 2HE2
6 A GLN 99 1HE2
6 A GLN 99 2HE2
6 A GLN 101 1HE2
6 A GLN 101 2HE2
6 A ASN 102 1HD2
6 A ASN 102 2HD2
6 A ASN 140 1HD2
6 A ASN 140 2HD2
7 A ASN 29 1HD2
7 A ASN 29 2HD2
7 A ASN 34 1HD2
7 A ASN 34 2HD2
7 A GLN 47 1HE2
7 A GLN 47 2HE2
7 A GLN 65 1HE2
7 A GLN 65 2HE2
7 A GLN 70 1HE2
7 A GLN 70 2HE2
7 A GLN 87 1HE2
7 A GLN 87 2HE2
7 A GLN 99 1HE2
7 A GLN 99 2HE2
7 A GLN 101 1HE2
7 A GLN 101 2HE2
7 A ASN 102 1HD2
7 A ASN 102 2HD2
7 A ASN 140 1HD2
7 A ASN 140 2HD2
8 A ASN 29 1HD2
8 A ASN 29 2HD2
8 A ASN 34 1HD2
8 A ASN 34 2HD2
8 A GLN 47 1HE2
8 A GLN 47 2HE2
8 A GLN 65 1HE2
8 A GLN 65 2HE2
8 A GLN 70 1HE2
8 A GLN 70 2HE2
8 A GLN 87 1HE2
8 A GLN 87 2HE2
8 A GLN 99 1HE2
8 A GLN 99 2HE2
8 A GLN 101 1HE2
8 A GLN 101 2HE2
8 A ASN 102 1HD2
8 A ASN 102 2HD2
8 A ASN 140 1HD2
8 A ASN 140 2HD2
9 A ASN 29 1HD2
9 A ASN 29 2HD2
9 A ASN 34 1HD2
9 A ASN 34 2HD2
9 A GLN 47 1HE2
9 A GLN 47 2HE2
9 A GLN 65 1HE2
9 A GLN 65 2HE2
9 A GLN 70 1HE2
9 A GLN 70 2HE2
9 A GLN 87 1HE2
9 A GLN 87 2HE2
9 A GLN 99 1HE2
9 A GLN 99 2HE2
9 A GLN 101 1HE2
9 A GLN 101 2HE2
9 A ASN 102 1HD2
9 A ASN 102 2HD2
9 A ASN 140 1HD2
9 A ASN 140 2HD2
10 A ASN 29 1HD2
10 A ASN 29 2HD2
10 A ASN 34 1HD2
10 A ASN 34 2HD2
10 A GLN 47 1HE2
10 A GLN 47 2HE2
10 A GLN 65 1HE2
10 A GLN 65 2HE2
10 A GLN 70 1HE2
10 A GLN 70 2HE2
10 A GLN 87 1HE2
10 A GLN 87 2HE2
10 A GLN 99 1HE2
10 A GLN 99 2HE2
10 A GLN 101 1HE2
10 A GLN 101 2HE2
10 A ASN 102 1HD2
10 A ASN 102 2HD2
10 A ASN 140 1HD2
10 A ASN 140 2HD2
11 A ASN 29 1HD2
11 A ASN 29 2HD2
11 A ASN 34 1HD2
11 A ASN 34 2HD2
11 A GLN 47 1HE2
11 A GLN 47 2HE2
11 A GLN 65 1HE2
11 A GLN 65 2HE2
11 A GLN 70 1HE2
11 A GLN 70 2HE2
11 A GLN 87 1HE2
11 A GLN 87 2HE2
11 A GLN 99 1HE2
11 A GLN 99 2HE2
11 A GLN 101 1HE2
11 A GLN 101 2HE2
11 A ASN 102 1HD2
11 A ASN 102 2HD2
11 A ASN 140 1HD2
11 A ASN 140 2HD2
12 A ASN 29 1HD2
12 A ASN 29 2HD2
12 A ASN 34 1HD2
12 A ASN 34 2HD2
12 A GLN 47 1HE2
12 A GLN 47 2HE2
12 A GLN 65 1HE2
12 A GLN 65 2HE2
12 A GLN 70 1HE2
12 A GLN 70 2HE2
12 A GLN 87 1HE2
12 A GLN 87 2HE2
12 A GLN 99 1HE2
12 A GLN 99 2HE2
12 A GLN 101 1HE2
12 A GLN 101 2HE2
12 A ASN 102 1HD2
12 A ASN 102 2HD2
12 A ASN 140 1HD2
12 A ASN 140 2HD2
13 A ASN 29 1HD2
13 A ASN 29 2HD2
13 A ASN 34 1HD2
13 A ASN 34 2HD2
13 A GLN 47 1HE2
13 A GLN 47 2HE2
13 A GLN 65 1HE2
13 A GLN 65 2HE2
13 A GLN 70 1HE2
13 A GLN 70 2HE2
13 A GLN 87 1HE2
13 A GLN 87 2HE2
13 A GLN 99 1HE2
13 A GLN 99 2HE2
13 A GLN 101 1HE2
13 A GLN 101 2HE2
13 A ASN 102 1HD2
13 A ASN 102 2HD2
13 A ASN 140 1HD2
13 A ASN 140 2HD2
14 A ASN 29 1HD2
14 A ASN 29 2HD2
14 A ASN 34 1HD2
14 A ASN 34 2HD2
14 A GLN 47 1HE2
14 A GLN 47 2HE2
14 A GLN 65 1HE2
14 A GLN 65 2HE2
14 A GLN 70 1HE2
14 A GLN 70 2HE2
14 A GLN 87 1HE2
14 A GLN 87 2HE2
14 A GLN 99 1HE2
14 A GLN 99 2HE2
14 A GLN 101 1HE2
14 A GLN 101 2HE2
14 A ASN 102 1HD2
14 A ASN 102 2HD2
14 A ASN 140 1HD2
14 A ASN 140 2HD2
15 A ASN 29 1HD2
15 A ASN 29 2HD2
15 A ASN 34 1HD2
15 A ASN 34 2HD2
15 A GLN 47 1HE2
15 A GLN 47 2HE2
15 A GLN 65 1HE2
15 A GLN 65 2HE2
15 A GLN 70 1HE2
15 A GLN 70 2HE2
15 A GLN 87 1HE2
15 A GLN 87 2HE2
15 A GLN 99 1HE2
15 A GLN 99 2HE2
15 A GLN 101 1HE2
15 A GLN 101 2HE2
15 A ASN 102 1HD2
15 A ASN 102 2HD2
15 A ASN 140 1HD2
15 A ASN 140 2HD2
16 A ASN 29 1HD2
16 A ASN 29 2HD2
16 A ASN 34 1HD2
16 A ASN 34 2HD2
16 A GLN 47 1HE2
16 A GLN 47 2HE2
16 A GLN 65 1HE2
16 A GLN 65 2HE2
16 A GLN 70 1HE2
16 A GLN 70 2HE2
16 A GLN 87 1HE2
16 A GLN 87 2HE2
16 A GLN 99 1HE2
16 A GLN 99 2HE2
16 A GLN 101 1HE2
16 A GLN 101 2HE2
16 A ASN 102 1HD2
16 A ASN 102 2HD2
16 A ASN 140 1HD2
16 A ASN 140 2HD2
17 A ASN 29 1HD2
17 A ASN 29 2HD2
17 A ASN 34 1HD2
17 A ASN 34 2HD2
17 A GLN 47 1HE2
17 A GLN 47 2HE2
17 A GLN 65 1HE2
17 A GLN 65 2HE2
17 A GLN 70 1HE2
17 A GLN 70 2HE2
17 A GLN 87 1HE2
17 A GLN 87 2HE2
17 A GLN 99 1HE2
17 A GLN 99 2HE2
17 A GLN 101 1HE2
17 A GLN 101 2HE2
17 A ASN 102 1HD2
17 A ASN 102 2HD2
17 A ASN 140 1HD2
17 A ASN 140 2HD2
18 A ASN 29 1HD2
18 A ASN 29 2HD2
18 A ASN 34 1HD2
18 A ASN 34 2HD2
18 A GLN 47 1HE2
18 A GLN 47 2HE2
18 A GLN 65 1HE2
18 A GLN 65 2HE2
18 A GLN 70 1HE2
18 A GLN 70 2HE2
18 A GLN 87 1HE2
18 A GLN 87 2HE2
18 A GLN 99 1HE2
18 A GLN 99 2HE2
18 A GLN 101 1HE2
18 A GLN 101 2HE2
18 A ASN 102 1HD2
18 A ASN 102 2HD2
18 A ASN 140 1HD2
18 A ASN 140 2HD2
19 A ASN 29 1HD2
19 A ASN 29 2HD2
19 A ASN 34 1HD2
19 A ASN 34 2HD2
19 A GLN 47 1HE2
19 A GLN 47 2HE2
19 A GLN 65 1HE2
19 A GLN 65 2HE2
19 A GLN 70 1HE2
19 A GLN 70 2HE2
19 A GLN 87 1HE2
19 A GLN 87 2HE2
19 A GLN 99 1HE2
19 A GLN 99 2HE2
19 A GLN 101 1HE2
19 A GLN 101 2HE2
19 A ASN 102 1HD2
19 A ASN 102 2HD2
19 A ASN 140 1HD2
19 A ASN 140 2HD2
20 A ASN 29 1HD2
20 A ASN 29 2HD2
20 A ASN 34 1HD2
20 A ASN 34 2HD2
20 A GLN 47 1HE2
20 A GLN 47 2HE2
20 A GLN 65 1HE2
20 A GLN 65 2HE2
20 A GLN 70 1HE2
20 A GLN 70 2HE2
20 A GLN 87 1HE2
20 A GLN 87 2HE2
20 A GLN 99 1HE2
20 A GLN 99 2HE2
20 A GLN 101 1HE2
20 A GLN 101 2HE2
20 A ASN 102 1HD2
20 A ASN 102 2HD2
20 A ASN 140 1HD2
20 A ASN 140 2HD2
OTHER IMPORTANT ISSUES
==> The following residues are missing:
(Note: The SEQ number starts from 1 for each chain according to SEQRES
sequence record.)
RES MOD#C SEQ
MET( 1 A-152 )
GLY( 1 A-151 )
HIS( 1 A-150 )
HIS( 1 A-149 )
HIS( 1 A-148 )
HIS( 1 A-147 )
HIS( 1 A-146 )
HIS( 1 A-145 )
SER( 1 A-144 )
HIS( 1 A-143 )
MET( 1 A-142 )
ARG( 1 A-141 )
LYS( 1 A-140 )
ILE( 1 A-139 )
ASP( 1 A-138 )
LEU( 1 A-137 )
CYS( 1 A-136 )
LEU( 1 A-135 )
SER( 1 A-134 )
SER( 1 A-133 )
GLU( 1 A-132 )
GLY( 1 A-131 )
SER( 1 A-130 )
GLU( 1 A-129 )
VAL( 1 A-128 )
ILE( 1 A-127 )
LEU( 1 A-126 )
ALA( 1 A-125 )
THR( 1 A-124 )
SER( 1 A-123 )
SER( 1 A-122 )
ASP( 1 A-121 )
GLU( 1 A-120 )
LYS( 1 A-119 )
HIS( 1 A-118 )
PRO( 1 A-117 )
PRO( 1 A-116 )
GLU( 1 A-115 )
ASN( 1 A-114 )
ILE( 1 A-113 )
ILE( 1 A-112 )
ASP( 1 A-111 )
GLY( 1 A-110 )
ASN( 1 A-109 )
PRO( 1 A-108 )
GLU( 1 A-107 )
THR( 1 A-106 )
PHE( 1 A-105 )
TRP( 1 A-104 )
THR( 1 A-103 )
THR( 1 A-102 )
THR( 1 A-101 )
GLY( 1 A-100 )
MET( 1 A -99 )
PHE( 1 A -98 )
PRO( 1 A -97 )
GLN( 1 A -96 )
GLU( 1 A -95 )
PHE( 1 A -94 )
ILE( 1 A -93 )
ILE( 1 A -92 )
CYS( 1 A -91 )
PHE( 1 A -90 )
HIS( 1 A -89 )
LYS( 1 A -88 )
HIS( 1 A -87 )
VAL( 1 A -86 )
ARG( 1 A -85 )
ILE( 1 A -84 )
GLU( 1 A -83 )
ARG( 1 A -82 )
LEU( 1 A -81 )
VAL( 1 A -80 )
ILE( 1 A -79 )
GLN( 1 A -78 )
SER( 1 A -77 )
TYR( 1 A -76 )
PHE( 1 A -75 )
VAL( 1 A -74 )
GLN( 1 A -73 )
THR( 1 A -72 )
LEU( 1 A -71 )
LYS( 1 A -70 )
ILE( 1 A -69 )
GLU( 1 A -68 )
LYS( 1 A -67 )
SER( 1 A -66 )
THR( 1 A -65 )
SER( 1 A -64 )
LYS( 1 A -63 )
GLU( 1 A -62 )
PRO( 1 A -61 )
VAL( 1 A -60 )
ASP( 1 A -59 )
PHE( 1 A -58 )
GLU( 1 A -57 )
GLN( 1 A -56 )
TRP( 1 A -55 )
ILE( 1 A -54 )
GLU( 1 A -53 )
LYS( 1 A -52 )
ASP( 1 A -51 )
LEU( 1 A -50 )
VAL( 1 A -49 )
HIS( 1 A -48 )
THR( 1 A -47 )
GLU( 1 A -46 )
GLY( 1 A -45 )
GLN( 1 A -44 )
LEU( 1 A -43 )
GLN( 1 A -42 )
ASN( 1 A -41 )
GLU( 1 A -40 )
GLU( 1 A -39 )
ILE( 1 A -38 )
VAL( 1 A -37 )
ALA( 1 A -36 )
HIS( 1 A -35 )
GLY( 1 A -34 )
SER( 1 A -33 )
ALA( 1 A -32 )
THR( 1 A -31 )
TYR( 1 A -30 )
LEU( 1 A -29 )
ARG( 1 A -28 )
PHE( 1 A -27 )
ILE( 1 A -26 )
ILE( 1 A -25 )
VAL( 1 A -24 )
SER( 1 A -23 )
ALA( 1 A -22 )
PHE( 1 A -21 )
ASP( 1 A -20 )
HIS( 1 A -19 )
PHE( 1 A -18 )
ALA( 1 A -17 )
SER( 1 A -16 )
VAL( 1 A -15 )
HIS( 1 A -14 )
SER( 1 A -13 )
VAL( 1 A -12 )
SER( 1 A -11 )
ALA( 1 A -10 )
GLU( 1 A -9 )
GLY( 1 A -8 )
THR( 1 A -7 )
VAL( 1 A -6 )
VAL( 1 A -5 )
SER( 1 A -4 )
ASN( 1 A -3 )
LEU( 1 A -2 )
SER( 1 A -1 )
SER( 1 A 0 )
MET( 2 A-152 )
GLY( 2 A-151 )
HIS( 2 A-150 )
HIS( 2 A-149 )
HIS( 2 A-148 )
HIS( 2 A-147 )
HIS( 2 A-146 )
HIS( 2 A-145 )
SER( 2 A-144 )
HIS( 2 A-143 )
MET( 2 A-142 )
ARG( 2 A-141 )
LYS( 2 A-140 )
ILE( 2 A-139 )
ASP( 2 A-138 )
LEU( 2 A-137 )
CYS( 2 A-136 )
LEU( 2 A-135 )
SER( 2 A-134 )
SER( 2 A-133 )
GLU( 2 A-132 )
GLY( 2 A-131 )
SER( 2 A-130 )
GLU( 2 A-129 )
VAL( 2 A-128 )
ILE( 2 A-127 )
LEU( 2 A-126 )
ALA( 2 A-125 )
THR( 2 A-124 )
SER( 2 A-123 )
SER( 2 A-122 )
ASP( 2 A-121 )
GLU( 2 A-120 )
LYS( 2 A-119 )
HIS( 2 A-118 )
PRO( 2 A-117 )
PRO( 2 A-116 )
GLU( 2 A-115 )
ASN( 2 A-114 )
ILE( 2 A-113 )
ILE( 2 A-112 )
ASP( 2 A-111 )
GLY( 2 A-110 )
ASN( 2 A-109 )
PRO( 2 A-108 )
GLU( 2 A-107 )
THR( 2 A-106 )
PHE( 2 A-105 )
TRP( 2 A-104 )
THR( 2 A-103 )
THR( 2 A-102 )
THR( 2 A-101 )
GLY( 2 A-100 )
MET( 2 A -99 )
PHE( 2 A -98 )
PRO( 2 A -97 )
GLN( 2 A -96 )
GLU( 2 A -95 )
PHE( 2 A -94 )
ILE( 2 A -93 )
ILE( 2 A -92 )
CYS( 2 A -91 )
PHE( 2 A -90 )
HIS( 2 A -89 )
LYS( 2 A -88 )
HIS( 2 A -87 )
VAL( 2 A -86 )
ARG( 2 A -85 )
ILE( 2 A -84 )
GLU( 2 A -83 )
ARG( 2 A -82 )
LEU( 2 A -81 )
VAL( 2 A -80 )
ILE( 2 A -79 )
GLN( 2 A -78 )
SER( 2 A -77 )
TYR( 2 A -76 )
PHE( 2 A -75 )
VAL( 2 A -74 )
GLN( 2 A -73 )
THR( 2 A -72 )
LEU( 2 A -71 )
LYS( 2 A -70 )
ILE( 2 A -69 )
GLU( 2 A -68 )
LYS( 2 A -67 )
SER( 2 A -66 )
THR( 2 A -65 )
SER( 2 A -64 )
LYS( 2 A -63 )
GLU( 2 A -62 )
PRO( 2 A -61 )
VAL( 2 A -60 )
ASP( 2 A -59 )
PHE( 2 A -58 )
GLU( 2 A -57 )
GLN( 2 A -56 )
TRP( 2 A -55 )
ILE( 2 A -54 )
GLU( 2 A -53 )
LYS( 2 A -52 )
ASP( 2 A -51 )
LEU( 2 A -50 )
VAL( 2 A -49 )
HIS( 2 A -48 )
THR( 2 A -47 )
GLU( 2 A -46 )
GLY( 2 A -45 )
GLN( 2 A -44 )
LEU( 2 A -43 )
GLN( 2 A -42 )
ASN( 2 A -41 )
GLU( 2 A -40 )
GLU( 2 A -39 )
ILE( 2 A -38 )
VAL( 2 A -37 )
ALA( 2 A -36 )
HIS( 2 A -35 )
GLY( 2 A -34 )
SER( 2 A -33 )
ALA( 2 A -32 )
THR( 2 A -31 )
TYR( 2 A -30 )
LEU( 2 A -29 )
ARG( 2 A -28 )
PHE( 2 A -27 )
ILE( 2 A -26 )
ILE( 2 A -25 )
VAL( 2 A -24 )
SER( 2 A -23 )
ALA( 2 A -22 )
PHE( 2 A -21 )
ASP( 2 A -20 )
HIS( 2 A -19 )
PHE( 2 A -18 )
ALA( 2 A -17 )
SER( 2 A -16 )
VAL( 2 A -15 )
HIS( 2 A -14 )
SER( 2 A -13 )
VAL( 2 A -12 )
SER( 2 A -11 )
ALA( 2 A -10 )
GLU( 2 A -9 )
GLY( 2 A -8 )
THR( 2 A -7 )
VAL( 2 A -6 )
VAL( 2 A -5 )
SER( 2 A -4 )
ASN( 2 A -3 )
LEU( 2 A -2 )
SER( 2 A -1 )
SER( 2 A 0 )
MET( 3 A-152 )
GLY( 3 A-151 )
HIS( 3 A-150 )
HIS( 3 A-149 )
HIS( 3 A-148 )
HIS( 3 A-147 )
HIS( 3 A-146 )
HIS( 3 A-145 )
SER( 3 A-144 )
HIS( 3 A-143 )
MET( 3 A-142 )
ARG( 3 A-141 )
LYS( 3 A-140 )
ILE( 3 A-139 )
ASP( 3 A-138 )
LEU( 3 A-137 )
CYS( 3 A-136 )
LEU( 3 A-135 )
SER( 3 A-134 )
SER( 3 A-133 )
GLU( 3 A-132 )
GLY( 3 A-131 )
SER( 3 A-130 )
GLU( 3 A-129 )
VAL( 3 A-128 )
ILE( 3 A-127 )
LEU( 3 A-126 )
ALA( 3 A-125 )
THR( 3 A-124 )
SER( 3 A-123 )
SER( 3 A-122 )
ASP( 3 A-121 )
GLU( 3 A-120 )
LYS( 3 A-119 )
HIS( 3 A-118 )
PRO( 3 A-117 )
PRO( 3 A-116 )
GLU( 3 A-115 )
ASN( 3 A-114 )
ILE( 3 A-113 )
ILE( 3 A-112 )
ASP( 3 A-111 )
GLY( 3 A-110 )
ASN( 3 A-109 )
PRO( 3 A-108 )
GLU( 3 A-107 )
THR( 3 A-106 )
PHE( 3 A-105 )
TRP( 3 A-104 )
THR( 3 A-103 )
THR( 3 A-102 )
THR( 3 A-101 )
GLY( 3 A-100 )
MET( 3 A -99 )
PHE( 3 A -98 )
PRO( 3 A -97 )
GLN( 3 A -96 )
GLU( 3 A -95 )
PHE( 3 A -94 )
ILE( 3 A -93 )
ILE( 3 A -92 )
CYS( 3 A -91 )
PHE( 3 A -90 )
HIS( 3 A -89 )
LYS( 3 A -88 )
HIS( 3 A -87 )
VAL( 3 A -86 )
ARG( 3 A -85 )
ILE( 3 A -84 )
GLU( 3 A -83 )
ARG( 3 A -82 )
LEU( 3 A -81 )
VAL( 3 A -80 )
ILE( 3 A -79 )
GLN( 3 A -78 )
SER( 3 A -77 )
TYR( 3 A -76 )
PHE( 3 A -75 )
VAL( 3 A -74 )
GLN( 3 A -73 )
THR( 3 A -72 )
LEU( 3 A -71 )
LYS( 3 A -70 )
ILE( 3 A -69 )
GLU( 3 A -68 )
LYS( 3 A -67 )
SER( 3 A -66 )
THR( 3 A -65 )
SER( 3 A -64 )
LYS( 3 A -63 )
GLU( 3 A -62 )
PRO( 3 A -61 )
VAL( 3 A -60 )
ASP( 3 A -59 )
PHE( 3 A -58 )
GLU( 3 A -57 )
GLN( 3 A -56 )
TRP( 3 A -55 )
ILE( 3 A -54 )
GLU( 3 A -53 )
LYS( 3 A -52 )
ASP( 3 A -51 )
LEU( 3 A -50 )
VAL( 3 A -49 )
HIS( 3 A -48 )
THR( 3 A -47 )
GLU( 3 A -46 )
GLY( 3 A -45 )
GLN( 3 A -44 )
LEU( 3 A -43 )
GLN( 3 A -42 )
ASN( 3 A -41 )
GLU( 3 A -40 )
GLU( 3 A -39 )
ILE( 3 A -38 )
VAL( 3 A -37 )
ALA( 3 A -36 )
HIS( 3 A -35 )
GLY( 3 A -34 )
SER( 3 A -33 )
ALA( 3 A -32 )
THR( 3 A -31 )
TYR( 3 A -30 )
LEU( 3 A -29 )
ARG( 3 A -28 )
PHE( 3 A -27 )
ILE( 3 A -26 )
ILE( 3 A -25 )
VAL( 3 A -24 )
SER( 3 A -23 )
ALA( 3 A -22 )
PHE( 3 A -21 )
ASP( 3 A -20 )
HIS( 3 A -19 )
PHE( 3 A -18 )
ALA( 3 A -17 )
SER( 3 A -16 )
VAL( 3 A -15 )
HIS( 3 A -14 )
SER( 3 A -13 )
VAL( 3 A -12 )
SER( 3 A -11 )
ALA( 3 A -10 )
GLU( 3 A -9 )
GLY( 3 A -8 )
THR( 3 A -7 )
VAL( 3 A -6 )
VAL( 3 A -5 )
SER( 3 A -4 )
ASN( 3 A -3 )
LEU( 3 A -2 )
SER( 3 A -1 )
SER( 3 A 0 )
MET( 4 A-152 )
GLY( 4 A-151 )
HIS( 4 A-150 )
HIS( 4 A-149 )
HIS( 4 A-148 )
HIS( 4 A-147 )
HIS( 4 A-146 )
HIS( 4 A-145 )
SER( 4 A-144 )
HIS( 4 A-143 )
MET( 4 A-142 )
ARG( 4 A-141 )
LYS( 4 A-140 )
ILE( 4 A-139 )
ASP( 4 A-138 )
LEU( 4 A-137 )
CYS( 4 A-136 )
LEU( 4 A-135 )
SER( 4 A-134 )
SER( 4 A-133 )
GLU( 4 A-132 )
GLY( 4 A-131 )
SER( 4 A-130 )
GLU( 4 A-129 )
VAL( 4 A-128 )
ILE( 4 A-127 )
LEU( 4 A-126 )
ALA( 4 A-125 )
THR( 4 A-124 )
SER( 4 A-123 )
SER( 4 A-122 )
ASP( 4 A-121 )
GLU( 4 A-120 )
LYS( 4 A-119 )
HIS( 4 A-118 )
PRO( 4 A-117 )
PRO( 4 A-116 )
GLU( 4 A-115 )
ASN( 4 A-114 )
ILE( 4 A-113 )
ILE( 4 A-112 )
ASP( 4 A-111 )
GLY( 4 A-110 )
ASN( 4 A-109 )
PRO( 4 A-108 )
GLU( 4 A-107 )
THR( 4 A-106 )
PHE( 4 A-105 )
TRP( 4 A-104 )
THR( 4 A-103 )
THR( 4 A-102 )
THR( 4 A-101 )
GLY( 4 A-100 )
MET( 4 A -99 )
PHE( 4 A -98 )
PRO( 4 A -97 )
GLN( 4 A -96 )
GLU( 4 A -95 )
PHE( 4 A -94 )
ILE( 4 A -93 )
ILE( 4 A -92 )
CYS( 4 A -91 )
PHE( 4 A -90 )
HIS( 4 A -89 )
LYS( 4 A -88 )
HIS( 4 A -87 )
VAL( 4 A -86 )
ARG( 4 A -85 )
ILE( 4 A -84 )
GLU( 4 A -83 )
ARG( 4 A -82 )
LEU( 4 A -81 )
VAL( 4 A -80 )
ILE( 4 A -79 )
GLN( 4 A -78 )
SER( 4 A -77 )
TYR( 4 A -76 )
PHE( 4 A -75 )
VAL( 4 A -74 )
GLN( 4 A -73 )
THR( 4 A -72 )
LEU( 4 A -71 )
LYS( 4 A -70 )
ILE( 4 A -69 )
GLU( 4 A -68 )
LYS( 4 A -67 )
SER( 4 A -66 )
THR( 4 A -65 )
SER( 4 A -64 )
LYS( 4 A -63 )
GLU( 4 A -62 )
PRO( 4 A -61 )
VAL( 4 A -60 )
ASP( 4 A -59 )
PHE( 4 A -58 )
GLU( 4 A -57 )
GLN( 4 A -56 )
TRP( 4 A -55 )
ILE( 4 A -54 )
GLU( 4 A -53 )
LYS( 4 A -52 )
ASP( 4 A -51 )
LEU( 4 A -50 )
VAL( 4 A -49 )
HIS( 4 A -48 )
THR( 4 A -47 )
GLU( 4 A -46 )
GLY( 4 A -45 )
GLN( 4 A -44 )
LEU( 4 A -43 )
GLN( 4 A -42 )
ASN( 4 A -41 )
GLU( 4 A -40 )
GLU( 4 A -39 )
ILE( 4 A -38 )
VAL( 4 A -37 )
ALA( 4 A -36 )
HIS( 4 A -35 )
GLY( 4 A -34 )
SER( 4 A -33 )
ALA( 4 A -32 )
THR( 4 A -31 )
TYR( 4 A -30 )
LEU( 4 A -29 )
ARG( 4 A -28 )
PHE( 4 A -27 )
ILE( 4 A -26 )
ILE( 4 A -25 )
VAL( 4 A -24 )
SER( 4 A -23 )
ALA( 4 A -22 )
PHE( 4 A -21 )
ASP( 4 A -20 )
HIS( 4 A -19 )
PHE( 4 A -18 )
ALA( 4 A -17 )
SER( 4 A -16 )
VAL( 4 A -15 )
HIS( 4 A -14 )
SER( 4 A -13 )
VAL( 4 A -12 )
SER( 4 A -11 )
ALA( 4 A -10 )
GLU( 4 A -9 )
GLY( 4 A -8 )
THR( 4 A -7 )
VAL( 4 A -6 )
VAL( 4 A -5 )
SER( 4 A -4 )
ASN( 4 A -3 )
LEU( 4 A -2 )
SER( 4 A -1 )
SER( 4 A 0 )
MET( 5 A-152 )
GLY( 5 A-151 )
HIS( 5 A-150 )
HIS( 5 A-149 )
HIS( 5 A-148 )
HIS( 5 A-147 )
HIS( 5 A-146 )
HIS( 5 A-145 )
SER( 5 A-144 )
HIS( 5 A-143 )
MET( 5 A-142 )
ARG( 5 A-141 )
LYS( 5 A-140 )
ILE( 5 A-139 )
ASP( 5 A-138 )
LEU( 5 A-137 )
CYS( 5 A-136 )
LEU( 5 A-135 )
SER( 5 A-134 )
SER( 5 A-133 )
GLU( 5 A-132 )
GLY( 5 A-131 )
SER( 5 A-130 )
GLU( 5 A-129 )
VAL( 5 A-128 )
ILE( 5 A-127 )
LEU( 5 A-126 )
ALA( 5 A-125 )
THR( 5 A-124 )
SER( 5 A-123 )
SER( 5 A-122 )
ASP( 5 A-121 )
GLU( 5 A-120 )
LYS( 5 A-119 )
HIS( 5 A-118 )
PRO( 5 A-117 )
PRO( 5 A-116 )
GLU( 5 A-115 )
ASN( 5 A-114 )
ILE( 5 A-113 )
ILE( 5 A-112 )
ASP( 5 A-111 )
GLY( 5 A-110 )
ASN( 5 A-109 )
PRO( 5 A-108 )
GLU( 5 A-107 )
THR( 5 A-106 )
PHE( 5 A-105 )
TRP( 5 A-104 )
THR( 5 A-103 )
THR( 5 A-102 )
THR( 5 A-101 )
GLY( 5 A-100 )
MET( 5 A -99 )
PHE( 5 A -98 )
PRO( 5 A -97 )
GLN( 5 A -96 )
GLU( 5 A -95 )
PHE( 5 A -94 )
ILE( 5 A -93 )
ILE( 5 A -92 )
CYS( 5 A -91 )
PHE( 5 A -90 )
HIS( 5 A -89 )
LYS( 5 A -88 )
HIS( 5 A -87 )
VAL( 5 A -86 )
ARG( 5 A -85 )
ILE( 5 A -84 )
GLU( 5 A -83 )
ARG( 5 A -82 )
LEU( 5 A -81 )
VAL( 5 A -80 )
ILE( 5 A -79 )
GLN( 5 A -78 )
SER( 5 A -77 )
TYR( 5 A -76 )
PHE( 5 A -75 )
VAL( 5 A -74 )
GLN( 5 A -73 )
THR( 5 A -72 )
LEU( 5 A -71 )
LYS( 5 A -70 )
ILE( 5 A -69 )
GLU( 5 A -68 )
LYS( 5 A -67 )
SER( 5 A -66 )
THR( 5 A -65 )
SER( 5 A -64 )
LYS( 5 A -63 )
GLU( 5 A -62 )
PRO( 5 A -61 )
VAL( 5 A -60 )
ASP( 5 A -59 )
PHE( 5 A -58 )
GLU( 5 A -57 )
GLN( 5 A -56 )
TRP( 5 A -55 )
ILE( 5 A -54 )
GLU( 5 A -53 )
LYS( 5 A -52 )
ASP( 5 A -51 )
LEU( 5 A -50 )
VAL( 5 A -49 )
HIS( 5 A -48 )
THR( 5 A -47 )
GLU( 5 A -46 )
GLY( 5 A -45 )
GLN( 5 A -44 )
LEU( 5 A -43 )
GLN( 5 A -42 )
ASN( 5 A -41 )
GLU( 5 A -40 )
GLU( 5 A -39 )
ILE( 5 A -38 )
VAL( 5 A -37 )
ALA( 5 A -36 )
HIS( 5 A -35 )
GLY( 5 A -34 )
SER( 5 A -33 )
ALA( 5 A -32 )
THR( 5 A -31 )
TYR( 5 A -30 )
LEU( 5 A -29 )
ARG( 5 A -28 )
PHE( 5 A -27 )
ILE( 5 A -26 )
ILE( 5 A -25 )
VAL( 5 A -24 )
SER( 5 A -23 )
ALA( 5 A -22 )
PHE( 5 A -21 )
ASP( 5 A -20 )
HIS( 5 A -19 )
PHE( 5 A -18 )
ALA( 5 A -17 )
SER( 5 A -16 )
VAL( 5 A -15 )
HIS( 5 A -14 )
SER( 5 A -13 )
VAL( 5 A -12 )
SER( 5 A -11 )
ALA( 5 A -10 )
GLU( 5 A -9 )
GLY( 5 A -8 )
THR( 5 A -7 )
VAL( 5 A -6 )
VAL( 5 A -5 )
SER( 5 A -4 )
ASN( 5 A -3 )
LEU( 5 A -2 )
SER( 5 A -1 )
SER( 5 A 0 )
MET( 6 A-152 )
GLY( 6 A-151 )
HIS( 6 A-150 )
HIS( 6 A-149 )
HIS( 6 A-148 )
HIS( 6 A-147 )
HIS( 6 A-146 )
HIS( 6 A-145 )
SER( 6 A-144 )
HIS( 6 A-143 )
MET( 6 A-142 )
ARG( 6 A-141 )
LYS( 6 A-140 )
ILE( 6 A-139 )
ASP( 6 A-138 )
LEU( 6 A-137 )
CYS( 6 A-136 )
LEU( 6 A-135 )
SER( 6 A-134 )
SER( 6 A-133 )
GLU( 6 A-132 )
GLY( 6 A-131 )
SER( 6 A-130 )
GLU( 6 A-129 )
VAL( 6 A-128 )
ILE( 6 A-127 )
LEU( 6 A-126 )
ALA( 6 A-125 )
THR( 6 A-124 )
SER( 6 A-123 )
SER( 6 A-122 )
ASP( 6 A-121 )
GLU( 6 A-120 )
LYS( 6 A-119 )
HIS( 6 A-118 )
PRO( 6 A-117 )
PRO( 6 A-116 )
GLU( 6 A-115 )
ASN( 6 A-114 )
ILE( 6 A-113 )
ILE( 6 A-112 )
ASP( 6 A-111 )
GLY( 6 A-110 )
ASN( 6 A-109 )
PRO( 6 A-108 )
GLU( 6 A-107 )
THR( 6 A-106 )
PHE( 6 A-105 )
TRP( 6 A-104 )
THR( 6 A-103 )
THR( 6 A-102 )
THR( 6 A-101 )
GLY( 6 A-100 )
MET( 6 A -99 )
PHE( 6 A -98 )
PRO( 6 A -97 )
GLN( 6 A -96 )
GLU( 6 A -95 )
PHE( 6 A -94 )
ILE( 6 A -93 )
ILE( 6 A -92 )
CYS( 6 A -91 )
PHE( 6 A -90 )
HIS( 6 A -89 )
LYS( 6 A -88 )
HIS( 6 A -87 )
VAL( 6 A -86 )
ARG( 6 A -85 )
ILE( 6 A -84 )
GLU( 6 A -83 )
ARG( 6 A -82 )
LEU( 6 A -81 )
VAL( 6 A -80 )
ILE( 6 A -79 )
GLN( 6 A -78 )
SER( 6 A -77 )
TYR( 6 A -76 )
PHE( 6 A -75 )
VAL( 6 A -74 )
GLN( 6 A -73 )
THR( 6 A -72 )
LEU( 6 A -71 )
LYS( 6 A -70 )
ILE( 6 A -69 )
GLU( 6 A -68 )
LYS( 6 A -67 )
SER( 6 A -66 )
THR( 6 A -65 )
SER( 6 A -64 )
LYS( 6 A -63 )
GLU( 6 A -62 )
PRO( 6 A -61 )
VAL( 6 A -60 )
ASP( 6 A -59 )
PHE( 6 A -58 )
GLU( 6 A -57 )
GLN( 6 A -56 )
TRP( 6 A -55 )
ILE( 6 A -54 )
GLU( 6 A -53 )
LYS( 6 A -52 )
ASP( 6 A -51 )
LEU( 6 A -50 )
VAL( 6 A -49 )
HIS( 6 A -48 )
THR( 6 A -47 )
GLU( 6 A -46 )
GLY( 6 A -45 )
GLN( 6 A -44 )
LEU( 6 A -43 )
GLN( 6 A -42 )
ASN( 6 A -41 )
GLU( 6 A -40 )
GLU( 6 A -39 )
ILE( 6 A -38 )
VAL( 6 A -37 )
ALA( 6 A -36 )
HIS( 6 A -35 )
GLY( 6 A -34 )
SER( 6 A -33 )
ALA( 6 A -32 )
THR( 6 A -31 )
TYR( 6 A -30 )
LEU( 6 A -29 )
ARG( 6 A -28 )
PHE( 6 A -27 )
ILE( 6 A -26 )
ILE( 6 A -25 )
VAL( 6 A -24 )
SER( 6 A -23 )
ALA( 6 A -22 )
PHE( 6 A -21 )
ASP( 6 A -20 )
HIS( 6 A -19 )
PHE( 6 A -18 )
ALA( 6 A -17 )
SER( 6 A -16 )
VAL( 6 A -15 )
HIS( 6 A -14 )
SER( 6 A -13 )
VAL( 6 A -12 )
SER( 6 A -11 )
ALA( 6 A -10 )
GLU( 6 A -9 )
GLY( 6 A -8 )
THR( 6 A -7 )
VAL( 6 A -6 )
VAL( 6 A -5 )
SER( 6 A -4 )
ASN( 6 A -3 )
LEU( 6 A -2 )
SER( 6 A -1 )
SER( 6 A 0 )
MET( 7 A-152 )
GLY( 7 A-151 )
HIS( 7 A-150 )
HIS( 7 A-149 )
HIS( 7 A-148 )
HIS( 7 A-147 )
HIS( 7 A-146 )
HIS( 7 A-145 )
SER( 7 A-144 )
HIS( 7 A-143 )
MET( 7 A-142 )
ARG( 7 A-141 )
LYS( 7 A-140 )
ILE( 7 A-139 )
ASP( 7 A-138 )
LEU( 7 A-137 )
CYS( 7 A-136 )
LEU( 7 A-135 )
SER( 7 A-134 )
SER( 7 A-133 )
GLU( 7 A-132 )
GLY( 7 A-131 )
SER( 7 A-130 )
GLU( 7 A-129 )
VAL( 7 A-128 )
ILE( 7 A-127 )
LEU( 7 A-126 )
ALA( 7 A-125 )
THR( 7 A-124 )
SER( 7 A-123 )
SER( 7 A-122 )
ASP( 7 A-121 )
GLU( 7 A-120 )
LYS( 7 A-119 )
HIS( 7 A-118 )
PRO( 7 A-117 )
PRO( 7 A-116 )
GLU( 7 A-115 )
ASN( 7 A-114 )
ILE( 7 A-113 )
ILE( 7 A-112 )
ASP( 7 A-111 )
GLY( 7 A-110 )
ASN( 7 A-109 )
PRO( 7 A-108 )
GLU( 7 A-107 )
THR( 7 A-106 )
PHE( 7 A-105 )
TRP( 7 A-104 )
THR( 7 A-103 )
THR( 7 A-102 )
THR( 7 A-101 )
GLY( 7 A-100 )
MET( 7 A -99 )
PHE( 7 A -98 )
PRO( 7 A -97 )
GLN( 7 A -96 )
GLU( 7 A -95 )
PHE( 7 A -94 )
ILE( 7 A -93 )
ILE( 7 A -92 )
CYS( 7 A -91 )
PHE( 7 A -90 )
HIS( 7 A -89 )
LYS( 7 A -88 )
HIS( 7 A -87 )
VAL( 7 A -86 )
ARG( 7 A -85 )
ILE( 7 A -84 )
GLU( 7 A -83 )
ARG( 7 A -82 )
LEU( 7 A -81 )
VAL( 7 A -80 )
ILE( 7 A -79 )
GLN( 7 A -78 )
SER( 7 A -77 )
TYR( 7 A -76 )
PHE( 7 A -75 )
VAL( 7 A -74 )
GLN( 7 A -73 )
THR( 7 A -72 )
LEU( 7 A -71 )
LYS( 7 A -70 )
ILE( 7 A -69 )
GLU( 7 A -68 )
LYS( 7 A -67 )
SER( 7 A -66 )
THR( 7 A -65 )
SER( 7 A -64 )
LYS( 7 A -63 )
GLU( 7 A -62 )
PRO( 7 A -61 )
VAL( 7 A -60 )
ASP( 7 A -59 )
PHE( 7 A -58 )
GLU( 7 A -57 )
GLN( 7 A -56 )
TRP( 7 A -55 )
ILE( 7 A -54 )
GLU( 7 A -53 )
LYS( 7 A -52 )
ASP( 7 A -51 )
LEU( 7 A -50 )
VAL( 7 A -49 )
HIS( 7 A -48 )
THR( 7 A -47 )
GLU( 7 A -46 )
GLY( 7 A -45 )
GLN( 7 A -44 )
LEU( 7 A -43 )
GLN( 7 A -42 )
ASN( 7 A -41 )
GLU( 7 A -40 )
GLU( 7 A -39 )
ILE( 7 A -38 )
VAL( 7 A -37 )
ALA( 7 A -36 )
HIS( 7 A -35 )
GLY( 7 A -34 )
SER( 7 A -33 )
ALA( 7 A -32 )
THR( 7 A -31 )
TYR( 7 A -30 )
LEU( 7 A -29 )
ARG( 7 A -28 )
PHE( 7 A -27 )
ILE( 7 A -26 )
ILE( 7 A -25 )
VAL( 7 A -24 )
SER( 7 A -23 )
ALA( 7 A -22 )
PHE( 7 A -21 )
ASP( 7 A -20 )
HIS( 7 A -19 )
PHE( 7 A -18 )
ALA( 7 A -17 )
SER( 7 A -16 )
VAL( 7 A -15 )
HIS( 7 A -14 )
SER( 7 A -13 )
VAL( 7 A -12 )
SER( 7 A -11 )
ALA( 7 A -10 )
GLU( 7 A -9 )
GLY( 7 A -8 )
THR( 7 A -7 )
VAL( 7 A -6 )
VAL( 7 A -5 )
SER( 7 A -4 )
ASN( 7 A -3 )
LEU( 7 A -2 )
SER( 7 A -1 )
SER( 7 A 0 )
MET( 8 A-152 )
GLY( 8 A-151 )
HIS( 8 A-150 )
HIS( 8 A-149 )
HIS( 8 A-148 )
HIS( 8 A-147 )
HIS( 8 A-146 )
HIS( 8 A-145 )
SER( 8 A-144 )
HIS( 8 A-143 )
MET( 8 A-142 )
ARG( 8 A-141 )
LYS( 8 A-140 )
ILE( 8 A-139 )
ASP( 8 A-138 )
LEU( 8 A-137 )
CYS( 8 A-136 )
LEU( 8 A-135 )
SER( 8 A-134 )
SER( 8 A-133 )
GLU( 8 A-132 )
GLY( 8 A-131 )
SER( 8 A-130 )
GLU( 8 A-129 )
VAL( 8 A-128 )
ILE( 8 A-127 )
LEU( 8 A-126 )
ALA( 8 A-125 )
THR( 8 A-124 )
SER( 8 A-123 )
SER( 8 A-122 )
ASP( 8 A-121 )
GLU( 8 A-120 )
LYS( 8 A-119 )
HIS( 8 A-118 )
PRO( 8 A-117 )
PRO( 8 A-116 )
GLU( 8 A-115 )
ASN( 8 A-114 )
ILE( 8 A-113 )
ILE( 8 A-112 )
ASP( 8 A-111 )
GLY( 8 A-110 )
ASN( 8 A-109 )
PRO( 8 A-108 )
GLU( 8 A-107 )
THR( 8 A-106 )
PHE( 8 A-105 )
TRP( 8 A-104 )
THR( 8 A-103 )
THR( 8 A-102 )
THR( 8 A-101 )
GLY( 8 A-100 )
MET( 8 A -99 )
PHE( 8 A -98 )
PRO( 8 A -97 )
GLN( 8 A -96 )
GLU( 8 A -95 )
PHE( 8 A -94 )
ILE( 8 A -93 )
ILE( 8 A -92 )
CYS( 8 A -91 )
PHE( 8 A -90 )
HIS( 8 A -89 )
LYS( 8 A -88 )
HIS( 8 A -87 )
VAL( 8 A -86 )
ARG( 8 A -85 )
ILE( 8 A -84 )
GLU( 8 A -83 )
ARG( 8 A -82 )
LEU( 8 A -81 )
VAL( 8 A -80 )
ILE( 8 A -79 )
GLN( 8 A -78 )
SER( 8 A -77 )
TYR( 8 A -76 )
PHE( 8 A -75 )
VAL( 8 A -74 )
GLN( 8 A -73 )
THR( 8 A -72 )
LEU( 8 A -71 )
LYS( 8 A -70 )
ILE( 8 A -69 )
GLU( 8 A -68 )
LYS( 8 A -67 )
SER( 8 A -66 )
THR( 8 A -65 )
SER( 8 A -64 )
LYS( 8 A -63 )
GLU( 8 A -62 )
PRO( 8 A -61 )
VAL( 8 A -60 )
ASP( 8 A -59 )
PHE( 8 A -58 )
GLU( 8 A -57 )
GLN( 8 A -56 )
TRP( 8 A -55 )
ILE( 8 A -54 )
GLU( 8 A -53 )
LYS( 8 A -52 )
ASP( 8 A -51 )
LEU( 8 A -50 )
VAL( 8 A -49 )
HIS( 8 A -48 )
THR( 8 A -47 )
GLU( 8 A -46 )
GLY( 8 A -45 )
GLN( 8 A -44 )
LEU( 8 A -43 )
GLN( 8 A -42 )
ASN( 8 A -41 )
GLU( 8 A -40 )
GLU( 8 A -39 )
ILE( 8 A -38 )
VAL( 8 A -37 )
ALA( 8 A -36 )
HIS( 8 A -35 )
GLY( 8 A -34 )
SER( 8 A -33 )
ALA( 8 A -32 )
THR( 8 A -31 )
TYR( 8 A -30 )
LEU( 8 A -29 )
ARG( 8 A -28 )
PHE( 8 A -27 )
ILE( 8 A -26 )
ILE( 8 A -25 )
VAL( 8 A -24 )
SER( 8 A -23 )
ALA( 8 A -22 )
PHE( 8 A -21 )
ASP( 8 A -20 )
HIS( 8 A -19 )
PHE( 8 A -18 )
ALA( 8 A -17 )
SER( 8 A -16 )
VAL( 8 A -15 )
HIS( 8 A -14 )
SER( 8 A -13 )
VAL( 8 A -12 )
SER( 8 A -11 )
ALA( 8 A -10 )
GLU( 8 A -9 )
GLY( 8 A -8 )
THR( 8 A -7 )
VAL( 8 A -6 )
VAL( 8 A -5 )
SER( 8 A -4 )
ASN( 8 A -3 )
LEU( 8 A -2 )
SER( 8 A -1 )
SER( 8 A 0 )
MET( 9 A-152 )
GLY( 9 A-151 )
HIS( 9 A-150 )
HIS( 9 A-149 )
HIS( 9 A-148 )
HIS( 9 A-147 )
HIS( 9 A-146 )
HIS( 9 A-145 )
SER( 9 A-144 )
HIS( 9 A-143 )
MET( 9 A-142 )
ARG( 9 A-141 )
LYS( 9 A-140 )
ILE( 9 A-139 )
ASP( 9 A-138 )
LEU( 9 A-137 )
CYS( 9 A-136 )
LEU( 9 A-135 )
SER( 9 A-134 )
SER( 9 A-133 )
GLU( 9 A-132 )
GLY( 9 A-131 )
SER( 9 A-130 )
GLU( 9 A-129 )
VAL( 9 A-128 )
ILE( 9 A-127 )
LEU( 9 A-126 )
ALA( 9 A-125 )
THR( 9 A-124 )
SER( 9 A-123 )
SER( 9 A-122 )
ASP( 9 A-121 )
GLU( 9 A-120 )
LYS( 9 A-119 )
HIS( 9 A-118 )
PRO( 9 A-117 )
PRO( 9 A-116 )
GLU( 9 A-115 )
ASN( 9 A-114 )
ILE( 9 A-113 )
ILE( 9 A-112 )
ASP( 9 A-111 )
GLY( 9 A-110 )
ASN( 9 A-109 )
PRO( 9 A-108 )
GLU( 9 A-107 )
THR( 9 A-106 )
PHE( 9 A-105 )
TRP( 9 A-104 )
THR( 9 A-103 )
THR( 9 A-102 )
THR( 9 A-101 )
GLY( 9 A-100 )
MET( 9 A -99 )
PHE( 9 A -98 )
PRO( 9 A -97 )
GLN( 9 A -96 )
GLU( 9 A -95 )
PHE( 9 A -94 )
ILE( 9 A -93 )
ILE( 9 A -92 )
CYS( 9 A -91 )
PHE( 9 A -90 )
HIS( 9 A -89 )
LYS( 9 A -88 )
HIS( 9 A -87 )
VAL( 9 A -86 )
ARG( 9 A -85 )
ILE( 9 A -84 )
GLU( 9 A -83 )
ARG( 9 A -82 )
LEU( 9 A -81 )
VAL( 9 A -80 )
ILE( 9 A -79 )
GLN( 9 A -78 )
SER( 9 A -77 )
TYR( 9 A -76 )
PHE( 9 A -75 )
VAL( 9 A -74 )
GLN( 9 A -73 )
THR( 9 A -72 )
LEU( 9 A -71 )
LYS( 9 A -70 )
ILE( 9 A -69 )
GLU( 9 A -68 )
LYS( 9 A -67 )
SER( 9 A -66 )
THR( 9 A -65 )
SER( 9 A -64 )
LYS( 9 A -63 )
GLU( 9 A -62 )
PRO( 9 A -61 )
VAL( 9 A -60 )
ASP( 9 A -59 )
PHE( 9 A -58 )
GLU( 9 A -57 )
GLN( 9 A -56 )
TRP( 9 A -55 )
ILE( 9 A -54 )
GLU( 9 A -53 )
LYS( 9 A -52 )
ASP( 9 A -51 )
LEU( 9 A -50 )
VAL( 9 A -49 )
HIS( 9 A -48 )
THR( 9 A -47 )
GLU( 9 A -46 )
GLY( 9 A -45 )
GLN( 9 A -44 )
LEU( 9 A -43 )
GLN( 9 A -42 )
ASN( 9 A -41 )
GLU( 9 A -40 )
GLU( 9 A -39 )
ILE( 9 A -38 )
VAL( 9 A -37 )
ALA( 9 A -36 )
HIS( 9 A -35 )
GLY( 9 A -34 )
SER( 9 A -33 )
ALA( 9 A -32 )
THR( 9 A -31 )
TYR( 9 A -30 )
LEU( 9 A -29 )
ARG( 9 A -28 )
PHE( 9 A -27 )
ILE( 9 A -26 )
ILE( 9 A -25 )
VAL( 9 A -24 )
SER( 9 A -23 )
ALA( 9 A -22 )
PHE( 9 A -21 )
ASP( 9 A -20 )
HIS( 9 A -19 )
PHE( 9 A -18 )
ALA( 9 A -17 )
SER( 9 A -16 )
VAL( 9 A -15 )
HIS( 9 A -14 )
SER( 9 A -13 )
VAL( 9 A -12 )
SER( 9 A -11 )
ALA( 9 A -10 )
GLU( 9 A -9 )
GLY( 9 A -8 )
THR( 9 A -7 )
VAL( 9 A -6 )
VAL( 9 A -5 )
SER( 9 A -4 )
ASN( 9 A -3 )
LEU( 9 A -2 )
SER( 9 A -1 )
SER( 9 A 0 )
MET( 10 A-152 )
GLY( 10 A-151 )
HIS( 10 A-150 )
HIS( 10 A-149 )
HIS( 10 A-148 )
HIS( 10 A-147 )
HIS( 10 A-146 )
HIS( 10 A-145 )
SER( 10 A-144 )
HIS( 10 A-143 )
MET( 10 A-142 )
ARG( 10 A-141 )
LYS( 10 A-140 )
ILE( 10 A-139 )
ASP( 10 A-138 )
LEU( 10 A-137 )
CYS( 10 A-136 )
LEU( 10 A-135 )
SER( 10 A-134 )
SER( 10 A-133 )
GLU( 10 A-132 )
GLY( 10 A-131 )
SER( 10 A-130 )
GLU( 10 A-129 )
VAL( 10 A-128 )
ILE( 10 A-127 )
LEU( 10 A-126 )
ALA( 10 A-125 )
THR( 10 A-124 )
SER( 10 A-123 )
SER( 10 A-122 )
ASP( 10 A-121 )
GLU( 10 A-120 )
LYS( 10 A-119 )
HIS( 10 A-118 )
PRO( 10 A-117 )
PRO( 10 A-116 )
GLU( 10 A-115 )
ASN( 10 A-114 )
ILE( 10 A-113 )
ILE( 10 A-112 )
ASP( 10 A-111 )
GLY( 10 A-110 )
ASN( 10 A-109 )
PRO( 10 A-108 )
GLU( 10 A-107 )
THR( 10 A-106 )
PHE( 10 A-105 )
TRP( 10 A-104 )
THR( 10 A-103 )
THR( 10 A-102 )
THR( 10 A-101 )
GLY( 10 A-100 )
MET( 10 A -99 )
PHE( 10 A -98 )
PRO( 10 A -97 )
GLN( 10 A -96 )
GLU( 10 A -95 )
PHE( 10 A -94 )
ILE( 10 A -93 )
ILE( 10 A -92 )
CYS( 10 A -91 )
PHE( 10 A -90 )
HIS( 10 A -89 )
LYS( 10 A -88 )
HIS( 10 A -87 )
VAL( 10 A -86 )
ARG( 10 A -85 )
ILE( 10 A -84 )
GLU( 10 A -83 )
ARG( 10 A -82 )
LEU( 10 A -81 )
VAL( 10 A -80 )
ILE( 10 A -79 )
GLN( 10 A -78 )
SER( 10 A -77 )
TYR( 10 A -76 )
PHE( 10 A -75 )
VAL( 10 A -74 )
GLN( 10 A -73 )
THR( 10 A -72 )
LEU( 10 A -71 )
LYS( 10 A -70 )
ILE( 10 A -69 )
GLU( 10 A -68 )
LYS( 10 A -67 )
SER( 10 A -66 )
THR( 10 A -65 )
SER( 10 A -64 )
LYS( 10 A -63 )
GLU( 10 A -62 )
PRO( 10 A -61 )
VAL( 10 A -60 )
ASP( 10 A -59 )
PHE( 10 A -58 )
GLU( 10 A -57 )
GLN( 10 A -56 )
TRP( 10 A -55 )
ILE( 10 A -54 )
GLU( 10 A -53 )
LYS( 10 A -52 )
ASP( 10 A -51 )
LEU( 10 A -50 )
VAL( 10 A -49 )
HIS( 10 A -48 )
THR( 10 A -47 )
GLU( 10 A -46 )
GLY( 10 A -45 )
GLN( 10 A -44 )
LEU( 10 A -43 )
GLN( 10 A -42 )
ASN( 10 A -41 )
GLU( 10 A -40 )
GLU( 10 A -39 )
ILE( 10 A -38 )
VAL( 10 A -37 )
ALA( 10 A -36 )
HIS( 10 A -35 )
GLY( 10 A -34 )
SER( 10 A -33 )
ALA( 10 A -32 )
THR( 10 A -31 )
TYR( 10 A -30 )
LEU( 10 A -29 )
ARG( 10 A -28 )
PHE( 10 A -27 )
ILE( 10 A -26 )
ILE( 10 A -25 )
VAL( 10 A -24 )
SER( 10 A -23 )
ALA( 10 A -22 )
PHE( 10 A -21 )
ASP( 10 A -20 )
HIS( 10 A -19 )
PHE( 10 A -18 )
ALA( 10 A -17 )
SER( 10 A -16 )
VAL( 10 A -15 )
HIS( 10 A -14 )
SER( 10 A -13 )
VAL( 10 A -12 )
SER( 10 A -11 )
ALA( 10 A -10 )
GLU( 10 A -9 )
GLY( 10 A -8 )
THR( 10 A -7 )
VAL( 10 A -6 )
VAL( 10 A -5 )
SER( 10 A -4 )
ASN( 10 A -3 )
LEU( 10 A -2 )
SER( 10 A -1 )
SER( 10 A 0 )
MET( 11 A-152 )
GLY( 11 A-151 )
HIS( 11 A-150 )
HIS( 11 A-149 )
HIS( 11 A-148 )
HIS( 11 A-147 )
HIS( 11 A-146 )
HIS( 11 A-145 )
SER( 11 A-144 )
HIS( 11 A-143 )
MET( 11 A-142 )
ARG( 11 A-141 )
LYS( 11 A-140 )
ILE( 11 A-139 )
ASP( 11 A-138 )
LEU( 11 A-137 )
CYS( 11 A-136 )
LEU( 11 A-135 )
SER( 11 A-134 )
SER( 11 A-133 )
GLU( 11 A-132 )
GLY( 11 A-131 )
SER( 11 A-130 )
GLU( 11 A-129 )
VAL( 11 A-128 )
ILE( 11 A-127 )
LEU( 11 A-126 )
ALA( 11 A-125 )
THR( 11 A-124 )
SER( 11 A-123 )
SER( 11 A-122 )
ASP( 11 A-121 )
GLU( 11 A-120 )
LYS( 11 A-119 )
HIS( 11 A-118 )
PRO( 11 A-117 )
PRO( 11 A-116 )
GLU( 11 A-115 )
ASN( 11 A-114 )
ILE( 11 A-113 )
ILE( 11 A-112 )
ASP( 11 A-111 )
GLY( 11 A-110 )
ASN( 11 A-109 )
PRO( 11 A-108 )
GLU( 11 A-107 )
THR( 11 A-106 )
PHE( 11 A-105 )
TRP( 11 A-104 )
THR( 11 A-103 )
THR( 11 A-102 )
THR( 11 A-101 )
GLY( 11 A-100 )
MET( 11 A -99 )
PHE( 11 A -98 )
PRO( 11 A -97 )
GLN( 11 A -96 )
GLU( 11 A -95 )
PHE( 11 A -94 )
ILE( 11 A -93 )
ILE( 11 A -92 )
CYS( 11 A -91 )
PHE( 11 A -90 )
HIS( 11 A -89 )
LYS( 11 A -88 )
HIS( 11 A -87 )
VAL( 11 A -86 )
ARG( 11 A -85 )
ILE( 11 A -84 )
GLU( 11 A -83 )
ARG( 11 A -82 )
LEU( 11 A -81 )
VAL( 11 A -80 )
ILE( 11 A -79 )
GLN( 11 A -78 )
SER( 11 A -77 )
TYR( 11 A -76 )
PHE( 11 A -75 )
VAL( 11 A -74 )
GLN( 11 A -73 )
THR( 11 A -72 )
LEU( 11 A -71 )
LYS( 11 A -70 )
ILE( 11 A -69 )
GLU( 11 A -68 )
LYS( 11 A -67 )
SER( 11 A -66 )
THR( 11 A -65 )
SER( 11 A -64 )
LYS( 11 A -63 )
GLU( 11 A -62 )
PRO( 11 A -61 )
VAL( 11 A -60 )
ASP( 11 A -59 )
PHE( 11 A -58 )
GLU( 11 A -57 )
GLN( 11 A -56 )
TRP( 11 A -55 )
ILE( 11 A -54 )
GLU( 11 A -53 )
LYS( 11 A -52 )
ASP( 11 A -51 )
LEU( 11 A -50 )
VAL( 11 A -49 )
HIS( 11 A -48 )
THR( 11 A -47 )
GLU( 11 A -46 )
GLY( 11 A -45 )
GLN( 11 A -44 )
LEU( 11 A -43 )
GLN( 11 A -42 )
ASN( 11 A -41 )
GLU( 11 A -40 )
GLU( 11 A -39 )
ILE( 11 A -38 )
VAL( 11 A -37 )
ALA( 11 A -36 )
HIS( 11 A -35 )
GLY( 11 A -34 )
SER( 11 A -33 )
ALA( 11 A -32 )
THR( 11 A -31 )
TYR( 11 A -30 )
LEU( 11 A -29 )
ARG( 11 A -28 )
PHE( 11 A -27 )
ILE( 11 A -26 )
ILE( 11 A -25 )
VAL( 11 A -24 )
SER( 11 A -23 )
ALA( 11 A -22 )
PHE( 11 A -21 )
ASP( 11 A -20 )
HIS( 11 A -19 )
PHE( 11 A -18 )
ALA( 11 A -17 )
SER( 11 A -16 )
VAL( 11 A -15 )
HIS( 11 A -14 )
SER( 11 A -13 )
VAL( 11 A -12 )
SER( 11 A -11 )
ALA( 11 A -10 )
GLU( 11 A -9 )
GLY( 11 A -8 )
THR( 11 A -7 )
VAL( 11 A -6 )
VAL( 11 A -5 )
SER( 11 A -4 )
ASN( 11 A -3 )
LEU( 11 A -2 )
SER( 11 A -1 )
SER( 11 A 0 )
MET( 12 A-152 )
GLY( 12 A-151 )
HIS( 12 A-150 )
HIS( 12 A-149 )
HIS( 12 A-148 )
HIS( 12 A-147 )
HIS( 12 A-146 )
HIS( 12 A-145 )
SER( 12 A-144 )
HIS( 12 A-143 )
MET( 12 A-142 )
ARG( 12 A-141 )
LYS( 12 A-140 )
ILE( 12 A-139 )
ASP( 12 A-138 )
LEU( 12 A-137 )
CYS( 12 A-136 )
LEU( 12 A-135 )
SER( 12 A-134 )
SER( 12 A-133 )
GLU( 12 A-132 )
GLY( 12 A-131 )
SER( 12 A-130 )
GLU( 12 A-129 )
VAL( 12 A-128 )
ILE( 12 A-127 )
LEU( 12 A-126 )
ALA( 12 A-125 )
THR( 12 A-124 )
SER( 12 A-123 )
SER( 12 A-122 )
ASP( 12 A-121 )
GLU( 12 A-120 )
LYS( 12 A-119 )
HIS( 12 A-118 )
PRO( 12 A-117 )
PRO( 12 A-116 )
GLU( 12 A-115 )
ASN( 12 A-114 )
ILE( 12 A-113 )
ILE( 12 A-112 )
ASP( 12 A-111 )
GLY( 12 A-110 )
ASN( 12 A-109 )
PRO( 12 A-108 )
GLU( 12 A-107 )
THR( 12 A-106 )
PHE( 12 A-105 )
TRP( 12 A-104 )
THR( 12 A-103 )
THR( 12 A-102 )
THR( 12 A-101 )
GLY( 12 A-100 )
MET( 12 A -99 )
PHE( 12 A -98 )
PRO( 12 A -97 )
GLN( 12 A -96 )
GLU( 12 A -95 )
PHE( 12 A -94 )
ILE( 12 A -93 )
ILE( 12 A -92 )
CYS( 12 A -91 )
PHE( 12 A -90 )
HIS( 12 A -89 )
LYS( 12 A -88 )
HIS( 12 A -87 )
VAL( 12 A -86 )
ARG( 12 A -85 )
ILE( 12 A -84 )
GLU( 12 A -83 )
ARG( 12 A -82 )
LEU( 12 A -81 )
VAL( 12 A -80 )
ILE( 12 A -79 )
GLN( 12 A -78 )
SER( 12 A -77 )
TYR( 12 A -76 )
PHE( 12 A -75 )
VAL( 12 A -74 )
GLN( 12 A -73 )
THR( 12 A -72 )
LEU( 12 A -71 )
LYS( 12 A -70 )
ILE( 12 A -69 )
GLU( 12 A -68 )
LYS( 12 A -67 )
SER( 12 A -66 )
THR( 12 A -65 )
SER( 12 A -64 )
LYS( 12 A -63 )
GLU( 12 A -62 )
PRO( 12 A -61 )
VAL( 12 A -60 )
ASP( 12 A -59 )
PHE( 12 A -58 )
GLU( 12 A -57 )
GLN( 12 A -56 )
TRP( 12 A -55 )
ILE( 12 A -54 )
GLU( 12 A -53 )
LYS( 12 A -52 )
ASP( 12 A -51 )
LEU( 12 A -50 )
VAL( 12 A -49 )
HIS( 12 A -48 )
THR( 12 A -47 )
GLU( 12 A -46 )
GLY( 12 A -45 )
GLN( 12 A -44 )
LEU( 12 A -43 )
GLN( 12 A -42 )
ASN( 12 A -41 )
GLU( 12 A -40 )
GLU( 12 A -39 )
ILE( 12 A -38 )
VAL( 12 A -37 )
ALA( 12 A -36 )
HIS( 12 A -35 )
GLY( 12 A -34 )
SER( 12 A -33 )
ALA( 12 A -32 )
THR( 12 A -31 )
TYR( 12 A -30 )
LEU( 12 A -29 )
ARG( 12 A -28 )
PHE( 12 A -27 )
ILE( 12 A -26 )
ILE( 12 A -25 )
VAL( 12 A -24 )
SER( 12 A -23 )
ALA( 12 A -22 )
PHE( 12 A -21 )
ASP( 12 A -20 )
HIS( 12 A -19 )
PHE( 12 A -18 )
ALA( 12 A -17 )
SER( 12 A -16 )
VAL( 12 A -15 )
HIS( 12 A -14 )
SER( 12 A -13 )
VAL( 12 A -12 )
SER( 12 A -11 )
ALA( 12 A -10 )
GLU( 12 A -9 )
GLY( 12 A -8 )
THR( 12 A -7 )
VAL( 12 A -6 )
VAL( 12 A -5 )
SER( 12 A -4 )
ASN( 12 A -3 )
LEU( 12 A -2 )
SER( 12 A -1 )
SER( 12 A 0 )
MET( 13 A-152 )
GLY( 13 A-151 )
HIS( 13 A-150 )
HIS( 13 A-149 )
HIS( 13 A-148 )
HIS( 13 A-147 )
HIS( 13 A-146 )
HIS( 13 A-145 )
SER( 13 A-144 )
HIS( 13 A-143 )
MET( 13 A-142 )
ARG( 13 A-141 )
LYS( 13 A-140 )
ILE( 13 A-139 )
ASP( 13 A-138 )
LEU( 13 A-137 )
CYS( 13 A-136 )
LEU( 13 A-135 )
SER( 13 A-134 )
SER( 13 A-133 )
GLU( 13 A-132 )
GLY( 13 A-131 )
SER( 13 A-130 )
GLU( 13 A-129 )
VAL( 13 A-128 )
ILE( 13 A-127 )
LEU( 13 A-126 )
ALA( 13 A-125 )
THR( 13 A-124 )
SER( 13 A-123 )
SER( 13 A-122 )
ASP( 13 A-121 )
GLU( 13 A-120 )
LYS( 13 A-119 )
HIS( 13 A-118 )
PRO( 13 A-117 )
PRO( 13 A-116 )
GLU( 13 A-115 )
ASN( 13 A-114 )
ILE( 13 A-113 )
ILE( 13 A-112 )
ASP( 13 A-111 )
GLY( 13 A-110 )
ASN( 13 A-109 )
PRO( 13 A-108 )
GLU( 13 A-107 )
THR( 13 A-106 )
PHE( 13 A-105 )
TRP( 13 A-104 )
THR( 13 A-103 )
THR( 13 A-102 )
THR( 13 A-101 )
GLY( 13 A-100 )
MET( 13 A -99 )
PHE( 13 A -98 )
PRO( 13 A -97 )
GLN( 13 A -96 )
GLU( 13 A -95 )
PHE( 13 A -94 )
ILE( 13 A -93 )
ILE( 13 A -92 )
CYS( 13 A -91 )
PHE( 13 A -90 )
HIS( 13 A -89 )
LYS( 13 A -88 )
HIS( 13 A -87 )
VAL( 13 A -86 )
ARG( 13 A -85 )
ILE( 13 A -84 )
GLU( 13 A -83 )
ARG( 13 A -82 )
LEU( 13 A -81 )
VAL( 13 A -80 )
ILE( 13 A -79 )
GLN( 13 A -78 )
SER( 13 A -77 )
TYR( 13 A -76 )
PHE( 13 A -75 )
VAL( 13 A -74 )
GLN( 13 A -73 )
THR( 13 A -72 )
LEU( 13 A -71 )
LYS( 13 A -70 )
ILE( 13 A -69 )
GLU( 13 A -68 )
LYS( 13 A -67 )
SER( 13 A -66 )
THR( 13 A -65 )
SER( 13 A -64 )
LYS( 13 A -63 )
GLU( 13 A -62 )
PRO( 13 A -61 )
VAL( 13 A -60 )
ASP( 13 A -59 )
PHE( 13 A -58 )
GLU( 13 A -57 )
GLN( 13 A -56 )
TRP( 13 A -55 )
ILE( 13 A -54 )
GLU( 13 A -53 )
LYS( 13 A -52 )
ASP( 13 A -51 )
LEU( 13 A -50 )
VAL( 13 A -49 )
HIS( 13 A -48 )
THR( 13 A -47 )
GLU( 13 A -46 )
GLY( 13 A -45 )
GLN( 13 A -44 )
LEU( 13 A -43 )
GLN( 13 A -42 )
ASN( 13 A -41 )
GLU( 13 A -40 )
GLU( 13 A -39 )
ILE( 13 A -38 )
VAL( 13 A -37 )
ALA( 13 A -36 )
HIS( 13 A -35 )
GLY( 13 A -34 )
SER( 13 A -33 )
ALA( 13 A -32 )
THR( 13 A -31 )
TYR( 13 A -30 )
LEU( 13 A -29 )
ARG( 13 A -28 )
PHE( 13 A -27 )
ILE( 13 A -26 )
ILE( 13 A -25 )
VAL( 13 A -24 )
SER( 13 A -23 )
ALA( 13 A -22 )
PHE( 13 A -21 )
ASP( 13 A -20 )
HIS( 13 A -19 )
PHE( 13 A -18 )
ALA( 13 A -17 )
SER( 13 A -16 )
VAL( 13 A -15 )
HIS( 13 A -14 )
SER( 13 A -13 )
VAL( 13 A -12 )
SER( 13 A -11 )
ALA( 13 A -10 )
GLU( 13 A -9 )
GLY( 13 A -8 )
THR( 13 A -7 )
VAL( 13 A -6 )
VAL( 13 A -5 )
SER( 13 A -4 )
ASN( 13 A -3 )
LEU( 13 A -2 )
SER( 13 A -1 )
SER( 13 A 0 )
MET( 14 A-152 )
GLY( 14 A-151 )
HIS( 14 A-150 )
HIS( 14 A-149 )
HIS( 14 A-148 )
HIS( 14 A-147 )
HIS( 14 A-146 )
HIS( 14 A-145 )
SER( 14 A-144 )
HIS( 14 A-143 )
MET( 14 A-142 )
ARG( 14 A-141 )
LYS( 14 A-140 )
ILE( 14 A-139 )
ASP( 14 A-138 )
LEU( 14 A-137 )
CYS( 14 A-136 )
LEU( 14 A-135 )
SER( 14 A-134 )
SER( 14 A-133 )
GLU( 14 A-132 )
GLY( 14 A-131 )
SER( 14 A-130 )
GLU( 14 A-129 )
VAL( 14 A-128 )
ILE( 14 A-127 )
LEU( 14 A-126 )
ALA( 14 A-125 )
THR( 14 A-124 )
SER( 14 A-123 )
SER( 14 A-122 )
ASP( 14 A-121 )
GLU( 14 A-120 )
LYS( 14 A-119 )
HIS( 14 A-118 )
PRO( 14 A-117 )
PRO( 14 A-116 )
GLU( 14 A-115 )
ASN( 14 A-114 )
ILE( 14 A-113 )
ILE( 14 A-112 )
ASP( 14 A-111 )
GLY( 14 A-110 )
ASN( 14 A-109 )
PRO( 14 A-108 )
GLU( 14 A-107 )
THR( 14 A-106 )
PHE( 14 A-105 )
TRP( 14 A-104 )
THR( 14 A-103 )
THR( 14 A-102 )
THR( 14 A-101 )
GLY( 14 A-100 )
MET( 14 A -99 )
PHE( 14 A -98 )
PRO( 14 A -97 )
GLN( 14 A -96 )
GLU( 14 A -95 )
PHE( 14 A -94 )
ILE( 14 A -93 )
ILE( 14 A -92 )
CYS( 14 A -91 )
PHE( 14 A -90 )
HIS( 14 A -89 )
LYS( 14 A -88 )
HIS( 14 A -87 )
VAL( 14 A -86 )
ARG( 14 A -85 )
ILE( 14 A -84 )
GLU( 14 A -83 )
ARG( 14 A -82 )
LEU( 14 A -81 )
VAL( 14 A -80 )
ILE( 14 A -79 )
GLN( 14 A -78 )
SER( 14 A -77 )
TYR( 14 A -76 )
PHE( 14 A -75 )
VAL( 14 A -74 )
GLN( 14 A -73 )
THR( 14 A -72 )
LEU( 14 A -71 )
LYS( 14 A -70 )
ILE( 14 A -69 )
GLU( 14 A -68 )
LYS( 14 A -67 )
SER( 14 A -66 )
THR( 14 A -65 )
SER( 14 A -64 )
LYS( 14 A -63 )
GLU( 14 A -62 )
PRO( 14 A -61 )
VAL( 14 A -60 )
ASP( 14 A -59 )
PHE( 14 A -58 )
GLU( 14 A -57 )
GLN( 14 A -56 )
TRP( 14 A -55 )
ILE( 14 A -54 )
GLU( 14 A -53 )
LYS( 14 A -52 )
ASP( 14 A -51 )
LEU( 14 A -50 )
VAL( 14 A -49 )
HIS( 14 A -48 )
THR( 14 A -47 )
GLU( 14 A -46 )
GLY( 14 A -45 )
GLN( 14 A -44 )
LEU( 14 A -43 )
GLN( 14 A -42 )
ASN( 14 A -41 )
GLU( 14 A -40 )
GLU( 14 A -39 )
ILE( 14 A -38 )
VAL( 14 A -37 )
ALA( 14 A -36 )
HIS( 14 A -35 )
GLY( 14 A -34 )
SER( 14 A -33 )
ALA( 14 A -32 )
THR( 14 A -31 )
TYR( 14 A -30 )
LEU( 14 A -29 )
ARG( 14 A -28 )
PHE( 14 A -27 )
ILE( 14 A -26 )
ILE( 14 A -25 )
VAL( 14 A -24 )
SER( 14 A -23 )
ALA( 14 A -22 )
PHE( 14 A -21 )
ASP( 14 A -20 )
HIS( 14 A -19 )
PHE( 14 A -18 )
ALA( 14 A -17 )
SER( 14 A -16 )
VAL( 14 A -15 )
HIS( 14 A -14 )
SER( 14 A -13 )
VAL( 14 A -12 )
SER( 14 A -11 )
ALA( 14 A -10 )
GLU( 14 A -9 )
GLY( 14 A -8 )
THR( 14 A -7 )
VAL( 14 A -6 )
VAL( 14 A -5 )
SER( 14 A -4 )
ASN( 14 A -3 )
LEU( 14 A -2 )
SER( 14 A -1 )
SER( 14 A 0 )
MET( 15 A-152 )
GLY( 15 A-151 )
HIS( 15 A-150 )
HIS( 15 A-149 )
HIS( 15 A-148 )
HIS( 15 A-147 )
HIS( 15 A-146 )
HIS( 15 A-145 )
SER( 15 A-144 )
HIS( 15 A-143 )
MET( 15 A-142 )
ARG( 15 A-141 )
LYS( 15 A-140 )
ILE( 15 A-139 )
ASP( 15 A-138 )
LEU( 15 A-137 )
CYS( 15 A-136 )
LEU( 15 A-135 )
SER( 15 A-134 )
SER( 15 A-133 )
GLU( 15 A-132 )
GLY( 15 A-131 )
SER( 15 A-130 )
GLU( 15 A-129 )
VAL( 15 A-128 )
ILE( 15 A-127 )
LEU( 15 A-126 )
ALA( 15 A-125 )
THR( 15 A-124 )
SER( 15 A-123 )
SER( 15 A-122 )
ASP( 15 A-121 )
GLU( 15 A-120 )
LYS( 15 A-119 )
HIS( 15 A-118 )
PRO( 15 A-117 )
PRO( 15 A-116 )
GLU( 15 A-115 )
ASN( 15 A-114 )
ILE( 15 A-113 )
ILE( 15 A-112 )
ASP( 15 A-111 )
GLY( 15 A-110 )
ASN( 15 A-109 )
PRO( 15 A-108 )
GLU( 15 A-107 )
THR( 15 A-106 )
PHE( 15 A-105 )
TRP( 15 A-104 )
THR( 15 A-103 )
THR( 15 A-102 )
THR( 15 A-101 )
GLY( 15 A-100 )
MET( 15 A -99 )
PHE( 15 A -98 )
PRO( 15 A -97 )
GLN( 15 A -96 )
GLU( 15 A -95 )
PHE( 15 A -94 )
ILE( 15 A -93 )
ILE( 15 A -92 )
CYS( 15 A -91 )
PHE( 15 A -90 )
HIS( 15 A -89 )
LYS( 15 A -88 )
HIS( 15 A -87 )
VAL( 15 A -86 )
ARG( 15 A -85 )
ILE( 15 A -84 )
GLU( 15 A -83 )
ARG( 15 A -82 )
LEU( 15 A -81 )
VAL( 15 A -80 )
ILE( 15 A -79 )
GLN( 15 A -78 )
SER( 15 A -77 )
TYR( 15 A -76 )
PHE( 15 A -75 )
VAL( 15 A -74 )
GLN( 15 A -73 )
THR( 15 A -72 )
LEU( 15 A -71 )
LYS( 15 A -70 )
ILE( 15 A -69 )
GLU( 15 A -68 )
LYS( 15 A -67 )
SER( 15 A -66 )
THR( 15 A -65 )
SER( 15 A -64 )
LYS( 15 A -63 )
GLU( 15 A -62 )
PRO( 15 A -61 )
VAL( 15 A -60 )
ASP( 15 A -59 )
PHE( 15 A -58 )
GLU( 15 A -57 )
GLN( 15 A -56 )
TRP( 15 A -55 )
ILE( 15 A -54 )
GLU( 15 A -53 )
LYS( 15 A -52 )
ASP( 15 A -51 )
LEU( 15 A -50 )
VAL( 15 A -49 )
HIS( 15 A -48 )
THR( 15 A -47 )
GLU( 15 A -46 )
GLY( 15 A -45 )
GLN( 15 A -44 )
LEU( 15 A -43 )
GLN( 15 A -42 )
ASN( 15 A -41 )
GLU( 15 A -40 )
GLU( 15 A -39 )
ILE( 15 A -38 )
VAL( 15 A -37 )
ALA( 15 A -36 )
HIS( 15 A -35 )
GLY( 15 A -34 )
SER( 15 A -33 )
ALA( 15 A -32 )
THR( 15 A -31 )
TYR( 15 A -30 )
LEU( 15 A -29 )
ARG( 15 A -28 )
PHE( 15 A -27 )
ILE( 15 A -26 )
ILE( 15 A -25 )
VAL( 15 A -24 )
SER( 15 A -23 )
ALA( 15 A -22 )
PHE( 15 A -21 )
ASP( 15 A -20 )
HIS( 15 A -19 )
PHE( 15 A -18 )
ALA( 15 A -17 )
SER( 15 A -16 )
VAL( 15 A -15 )
HIS( 15 A -14 )
SER( 15 A -13 )
VAL( 15 A -12 )
SER( 15 A -11 )
ALA( 15 A -10 )
GLU( 15 A -9 )
GLY( 15 A -8 )
THR( 15 A -7 )
VAL( 15 A -6 )
VAL( 15 A -5 )
SER( 15 A -4 )
ASN( 15 A -3 )
LEU( 15 A -2 )
SER( 15 A -1 )
SER( 15 A 0 )
MET( 16 A-152 )
GLY( 16 A-151 )
HIS( 16 A-150 )
HIS( 16 A-149 )
HIS( 16 A-148 )
HIS( 16 A-147 )
HIS( 16 A-146 )
HIS( 16 A-145 )
SER( 16 A-144 )
HIS( 16 A-143 )
MET( 16 A-142 )
ARG( 16 A-141 )
LYS( 16 A-140 )
ILE( 16 A-139 )
ASP( 16 A-138 )
LEU( 16 A-137 )
CYS( 16 A-136 )
LEU( 16 A-135 )
SER( 16 A-134 )
SER( 16 A-133 )
GLU( 16 A-132 )
GLY( 16 A-131 )
SER( 16 A-130 )
GLU( 16 A-129 )
VAL( 16 A-128 )
ILE( 16 A-127 )
LEU( 16 A-126 )
ALA( 16 A-125 )
THR( 16 A-124 )
SER( 16 A-123 )
SER( 16 A-122 )
ASP( 16 A-121 )
GLU( 16 A-120 )
LYS( 16 A-119 )
HIS( 16 A-118 )
PRO( 16 A-117 )
PRO( 16 A-116 )
GLU( 16 A-115 )
ASN( 16 A-114 )
ILE( 16 A-113 )
ILE( 16 A-112 )
ASP( 16 A-111 )
GLY( 16 A-110 )
ASN( 16 A-109 )
PRO( 16 A-108 )
GLU( 16 A-107 )
THR( 16 A-106 )
PHE( 16 A-105 )
TRP( 16 A-104 )
THR( 16 A-103 )
THR( 16 A-102 )
THR( 16 A-101 )
GLY( 16 A-100 )
MET( 16 A -99 )
PHE( 16 A -98 )
PRO( 16 A -97 )
GLN( 16 A -96 )
GLU( 16 A -95 )
PHE( 16 A -94 )
ILE( 16 A -93 )
ILE( 16 A -92 )
CYS( 16 A -91 )
PHE( 16 A -90 )
HIS( 16 A -89 )
LYS( 16 A -88 )
HIS( 16 A -87 )
VAL( 16 A -86 )
ARG( 16 A -85 )
ILE( 16 A -84 )
GLU( 16 A -83 )
ARG( 16 A -82 )
LEU( 16 A -81 )
VAL( 16 A -80 )
ILE( 16 A -79 )
GLN( 16 A -78 )
SER( 16 A -77 )
TYR( 16 A -76 )
PHE( 16 A -75 )
VAL( 16 A -74 )
GLN( 16 A -73 )
THR( 16 A -72 )
LEU( 16 A -71 )
LYS( 16 A -70 )
ILE( 16 A -69 )
GLU( 16 A -68 )
LYS( 16 A -67 )
SER( 16 A -66 )
THR( 16 A -65 )
SER( 16 A -64 )
LYS( 16 A -63 )
GLU( 16 A -62 )
PRO( 16 A -61 )
VAL( 16 A -60 )
ASP( 16 A -59 )
PHE( 16 A -58 )
GLU( 16 A -57 )
GLN( 16 A -56 )
TRP( 16 A -55 )
ILE( 16 A -54 )
GLU( 16 A -53 )
LYS( 16 A -52 )
ASP( 16 A -51 )
LEU( 16 A -50 )
VAL( 16 A -49 )
HIS( 16 A -48 )
THR( 16 A -47 )
GLU( 16 A -46 )
GLY( 16 A -45 )
GLN( 16 A -44 )
LEU( 16 A -43 )
GLN( 16 A -42 )
ASN( 16 A -41 )
GLU( 16 A -40 )
GLU( 16 A -39 )
ILE( 16 A -38 )
VAL( 16 A -37 )
ALA( 16 A -36 )
HIS( 16 A -35 )
GLY( 16 A -34 )
SER( 16 A -33 )
ALA( 16 A -32 )
THR( 16 A -31 )
TYR( 16 A -30 )
LEU( 16 A -29 )
ARG( 16 A -28 )
PHE( 16 A -27 )
ILE( 16 A -26 )
ILE( 16 A -25 )
VAL( 16 A -24 )
SER( 16 A -23 )
ALA( 16 A -22 )
PHE( 16 A -21 )
ASP( 16 A -20 )
HIS( 16 A -19 )
PHE( 16 A -18 )
ALA( 16 A -17 )
SER( 16 A -16 )
VAL( 16 A -15 )
HIS( 16 A -14 )
SER( 16 A -13 )
VAL( 16 A -12 )
SER( 16 A -11 )
ALA( 16 A -10 )
GLU( 16 A -9 )
GLY( 16 A -8 )
THR( 16 A -7 )
VAL( 16 A -6 )
VAL( 16 A -5 )
SER( 16 A -4 )
ASN( 16 A -3 )
LEU( 16 A -2 )
SER( 16 A -1 )
SER( 16 A 0 )
MET( 17 A-152 )
GLY( 17 A-151 )
HIS( 17 A-150 )
HIS( 17 A-149 )
HIS( 17 A-148 )
HIS( 17 A-147 )
HIS( 17 A-146 )
HIS( 17 A-145 )
SER( 17 A-144 )
HIS( 17 A-143 )
MET( 17 A-142 )
ARG( 17 A-141 )
LYS( 17 A-140 )
ILE( 17 A-139 )
ASP( 17 A-138 )
LEU( 17 A-137 )
CYS( 17 A-136 )
LEU( 17 A-135 )
SER( 17 A-134 )
SER( 17 A-133 )
GLU( 17 A-132 )
GLY( 17 A-131 )
SER( 17 A-130 )
GLU( 17 A-129 )
VAL( 17 A-128 )
ILE( 17 A-127 )
LEU( 17 A-126 )
ALA( 17 A-125 )
THR( 17 A-124 )
SER( 17 A-123 )
SER( 17 A-122 )
ASP( 17 A-121 )
GLU( 17 A-120 )
LYS( 17 A-119 )
HIS( 17 A-118 )
PRO( 17 A-117 )
PRO( 17 A-116 )
GLU( 17 A-115 )
ASN( 17 A-114 )
ILE( 17 A-113 )
ILE( 17 A-112 )
ASP( 17 A-111 )
GLY( 17 A-110 )
ASN( 17 A-109 )
PRO( 17 A-108 )
GLU( 17 A-107 )
THR( 17 A-106 )
PHE( 17 A-105 )
TRP( 17 A-104 )
THR( 17 A-103 )
THR( 17 A-102 )
THR( 17 A-101 )
GLY( 17 A-100 )
MET( 17 A -99 )
PHE( 17 A -98 )
PRO( 17 A -97 )
GLN( 17 A -96 )
GLU( 17 A -95 )
PHE( 17 A -94 )
ILE( 17 A -93 )
ILE( 17 A -92 )
CYS( 17 A -91 )
PHE( 17 A -90 )
HIS( 17 A -89 )
LYS( 17 A -88 )
HIS( 17 A -87 )
VAL( 17 A -86 )
ARG( 17 A -85 )
ILE( 17 A -84 )
GLU( 17 A -83 )
ARG( 17 A -82 )
LEU( 17 A -81 )
VAL( 17 A -80 )
ILE( 17 A -79 )
GLN( 17 A -78 )
SER( 17 A -77 )
TYR( 17 A -76 )
PHE( 17 A -75 )
VAL( 17 A -74 )
GLN( 17 A -73 )
THR( 17 A -72 )
LEU( 17 A -71 )
LYS( 17 A -70 )
ILE( 17 A -69 )
GLU( 17 A -68 )
LYS( 17 A -67 )
SER( 17 A -66 )
THR( 17 A -65 )
SER( 17 A -64 )
LYS( 17 A -63 )
GLU( 17 A -62 )
PRO( 17 A -61 )
VAL( 17 A -60 )
ASP( 17 A -59 )
PHE( 17 A -58 )
GLU( 17 A -57 )
GLN( 17 A -56 )
TRP( 17 A -55 )
ILE( 17 A -54 )
GLU( 17 A -53 )
LYS( 17 A -52 )
ASP( 17 A -51 )
LEU( 17 A -50 )
VAL( 17 A -49 )
HIS( 17 A -48 )
THR( 17 A -47 )
GLU( 17 A -46 )
GLY( 17 A -45 )
GLN( 17 A -44 )
LEU( 17 A -43 )
GLN( 17 A -42 )
ASN( 17 A -41 )
GLU( 17 A -40 )
GLU( 17 A -39 )
ILE( 17 A -38 )
VAL( 17 A -37 )
ALA( 17 A -36 )
HIS( 17 A -35 )
GLY( 17 A -34 )
SER( 17 A -33 )
ALA( 17 A -32 )
THR( 17 A -31 )
TYR( 17 A -30 )
LEU( 17 A -29 )
ARG( 17 A -28 )
PHE( 17 A -27 )
ILE( 17 A -26 )
ILE( 17 A -25 )
VAL( 17 A -24 )
SER( 17 A -23 )
ALA( 17 A -22 )
PHE( 17 A -21 )
ASP( 17 A -20 )
HIS( 17 A -19 )
PHE( 17 A -18 )
ALA( 17 A -17 )
SER( 17 A -16 )
VAL( 17 A -15 )
HIS( 17 A -14 )
SER( 17 A -13 )
VAL( 17 A -12 )
SER( 17 A -11 )
ALA( 17 A -10 )
GLU( 17 A -9 )
GLY( 17 A -8 )
THR( 17 A -7 )
VAL( 17 A -6 )
VAL( 17 A -5 )
SER( 17 A -4 )
ASN( 17 A -3 )
LEU( 17 A -2 )
SER( 17 A -1 )
SER( 17 A 0 )
MET( 18 A-152 )
GLY( 18 A-151 )
HIS( 18 A-150 )
HIS( 18 A-149 )
HIS( 18 A-148 )
HIS( 18 A-147 )
HIS( 18 A-146 )
HIS( 18 A-145 )
SER( 18 A-144 )
HIS( 18 A-143 )
MET( 18 A-142 )
ARG( 18 A-141 )
LYS( 18 A-140 )
ILE( 18 A-139 )
ASP( 18 A-138 )
LEU( 18 A-137 )
CYS( 18 A-136 )
LEU( 18 A-135 )
SER( 18 A-134 )
SER( 18 A-133 )
GLU( 18 A-132 )
GLY( 18 A-131 )
SER( 18 A-130 )
GLU( 18 A-129 )
VAL( 18 A-128 )
ILE( 18 A-127 )
LEU( 18 A-126 )
ALA( 18 A-125 )
THR( 18 A-124 )
SER( 18 A-123 )
SER( 18 A-122 )
ASP( 18 A-121 )
GLU( 18 A-120 )
LYS( 18 A-119 )
HIS( 18 A-118 )
PRO( 18 A-117 )
PRO( 18 A-116 )
GLU( 18 A-115 )
ASN( 18 A-114 )
ILE( 18 A-113 )
ILE( 18 A-112 )
ASP( 18 A-111 )
GLY( 18 A-110 )
ASN( 18 A-109 )
PRO( 18 A-108 )
GLU( 18 A-107 )
THR( 18 A-106 )
PHE( 18 A-105 )
TRP( 18 A-104 )
THR( 18 A-103 )
THR( 18 A-102 )
THR( 18 A-101 )
GLY( 18 A-100 )
MET( 18 A -99 )
PHE( 18 A -98 )
PRO( 18 A -97 )
GLN( 18 A -96 )
GLU( 18 A -95 )
PHE( 18 A -94 )
ILE( 18 A -93 )
ILE( 18 A -92 )
CYS( 18 A -91 )
PHE( 18 A -90 )
HIS( 18 A -89 )
LYS( 18 A -88 )
HIS( 18 A -87 )
VAL( 18 A -86 )
ARG( 18 A -85 )
ILE( 18 A -84 )
GLU( 18 A -83 )
ARG( 18 A -82 )
LEU( 18 A -81 )
VAL( 18 A -80 )
ILE( 18 A -79 )
GLN( 18 A -78 )
SER( 18 A -77 )
TYR( 18 A -76 )
PHE( 18 A -75 )
VAL( 18 A -74 )
GLN( 18 A -73 )
THR( 18 A -72 )
LEU( 18 A -71 )
LYS( 18 A -70 )
ILE( 18 A -69 )
GLU( 18 A -68 )
LYS( 18 A -67 )
SER( 18 A -66 )
THR( 18 A -65 )
SER( 18 A -64 )
LYS( 18 A -63 )
GLU( 18 A -62 )
PRO( 18 A -61 )
VAL( 18 A -60 )
ASP( 18 A -59 )
PHE( 18 A -58 )
GLU( 18 A -57 )
GLN( 18 A -56 )
TRP( 18 A -55 )
ILE( 18 A -54 )
GLU( 18 A -53 )
LYS( 18 A -52 )
ASP( 18 A -51 )
LEU( 18 A -50 )
VAL( 18 A -49 )
HIS( 18 A -48 )
THR( 18 A -47 )
GLU( 18 A -46 )
GLY( 18 A -45 )
GLN( 18 A -44 )
LEU( 18 A -43 )
GLN( 18 A -42 )
ASN( 18 A -41 )
GLU( 18 A -40 )
GLU( 18 A -39 )
ILE( 18 A -38 )
VAL( 18 A -37 )
ALA( 18 A -36 )
HIS( 18 A -35 )
GLY( 18 A -34 )
SER( 18 A -33 )
ALA( 18 A -32 )
THR( 18 A -31 )
TYR( 18 A -30 )
LEU( 18 A -29 )
ARG( 18 A -28 )
PHE( 18 A -27 )
ILE( 18 A -26 )
ILE( 18 A -25 )
VAL( 18 A -24 )
SER( 18 A -23 )
ALA( 18 A -22 )
PHE( 18 A -21 )
ASP( 18 A -20 )
HIS( 18 A -19 )
PHE( 18 A -18 )
ALA( 18 A -17 )
SER( 18 A -16 )
VAL( 18 A -15 )
HIS( 18 A -14 )
SER( 18 A -13 )
VAL( 18 A -12 )
SER( 18 A -11 )
ALA( 18 A -10 )
GLU( 18 A -9 )
GLY( 18 A -8 )
THR( 18 A -7 )
VAL( 18 A -6 )
VAL( 18 A -5 )
SER( 18 A -4 )
ASN( 18 A -3 )
LEU( 18 A -2 )
SER( 18 A -1 )
SER( 18 A 0 )
MET( 19 A-152 )
GLY( 19 A-151 )
HIS( 19 A-150 )
HIS( 19 A-149 )
HIS( 19 A-148 )
HIS( 19 A-147 )
HIS( 19 A-146 )
HIS( 19 A-145 )
SER( 19 A-144 )
HIS( 19 A-143 )
MET( 19 A-142 )
ARG( 19 A-141 )
LYS( 19 A-140 )
ILE( 19 A-139 )
ASP( 19 A-138 )
LEU( 19 A-137 )
CYS( 19 A-136 )
LEU( 19 A-135 )
SER( 19 A-134 )
SER( 19 A-133 )
GLU( 19 A-132 )
GLY( 19 A-131 )
SER( 19 A-130 )
GLU( 19 A-129 )
VAL( 19 A-128 )
ILE( 19 A-127 )
LEU( 19 A-126 )
ALA( 19 A-125 )
THR( 19 A-124 )
SER( 19 A-123 )
SER( 19 A-122 )
ASP( 19 A-121 )
GLU( 19 A-120 )
LYS( 19 A-119 )
HIS( 19 A-118 )
PRO( 19 A-117 )
PRO( 19 A-116 )
GLU( 19 A-115 )
ASN( 19 A-114 )
ILE( 19 A-113 )
ILE( 19 A-112 )
ASP( 19 A-111 )
GLY( 19 A-110 )
ASN( 19 A-109 )
PRO( 19 A-108 )
GLU( 19 A-107 )
THR( 19 A-106 )
PHE( 19 A-105 )
TRP( 19 A-104 )
THR( 19 A-103 )
THR( 19 A-102 )
THR( 19 A-101 )
GLY( 19 A-100 )
MET( 19 A -99 )
PHE( 19 A -98 )
PRO( 19 A -97 )
GLN( 19 A -96 )
GLU( 19 A -95 )
PHE( 19 A -94 )
ILE( 19 A -93 )
ILE( 19 A -92 )
CYS( 19 A -91 )
PHE( 19 A -90 )
HIS( 19 A -89 )
LYS( 19 A -88 )
HIS( 19 A -87 )
VAL( 19 A -86 )
ARG( 19 A -85 )
ILE( 19 A -84 )
GLU( 19 A -83 )
ARG( 19 A -82 )
LEU( 19 A -81 )
VAL( 19 A -80 )
ILE( 19 A -79 )
GLN( 19 A -78 )
SER( 19 A -77 )
TYR( 19 A -76 )
PHE( 19 A -75 )
VAL( 19 A -74 )
GLN( 19 A -73 )
THR( 19 A -72 )
LEU( 19 A -71 )
LYS( 19 A -70 )
ILE( 19 A -69 )
GLU( 19 A -68 )
LYS( 19 A -67 )
SER( 19 A -66 )
THR( 19 A -65 )
SER( 19 A -64 )
LYS( 19 A -63 )
GLU( 19 A -62 )
PRO( 19 A -61 )
VAL( 19 A -60 )
ASP( 19 A -59 )
PHE( 19 A -58 )
GLU( 19 A -57 )
GLN( 19 A -56 )
TRP( 19 A -55 )
ILE( 19 A -54 )
GLU( 19 A -53 )
LYS( 19 A -52 )
ASP( 19 A -51 )
LEU( 19 A -50 )
VAL( 19 A -49 )
HIS( 19 A -48 )
THR( 19 A -47 )
GLU( 19 A -46 )
GLY( 19 A -45 )
GLN( 19 A -44 )
LEU( 19 A -43 )
GLN( 19 A -42 )
ASN( 19 A -41 )
GLU( 19 A -40 )
GLU( 19 A -39 )
ILE( 19 A -38 )
VAL( 19 A -37 )
ALA( 19 A -36 )
HIS( 19 A -35 )
GLY( 19 A -34 )
SER( 19 A -33 )
ALA( 19 A -32 )
THR( 19 A -31 )
TYR( 19 A -30 )
LEU( 19 A -29 )
ARG( 19 A -28 )
PHE( 19 A -27 )
ILE( 19 A -26 )
ILE( 19 A -25 )
VAL( 19 A -24 )
SER( 19 A -23 )
ALA( 19 A -22 )
PHE( 19 A -21 )
ASP( 19 A -20 )
HIS( 19 A -19 )
PHE( 19 A -18 )
ALA( 19 A -17 )
SER( 19 A -16 )
VAL( 19 A -15 )
HIS( 19 A -14 )
SER( 19 A -13 )
VAL( 19 A -12 )
SER( 19 A -11 )
ALA( 19 A -10 )
GLU( 19 A -9 )
GLY( 19 A -8 )
THR( 19 A -7 )
VAL( 19 A -6 )
VAL( 19 A -5 )
SER( 19 A -4 )
ASN( 19 A -3 )
LEU( 19 A -2 )
SER( 19 A -1 )
SER( 19 A 0 )
MET( 20 A-152 )
GLY( 20 A-151 )
HIS( 20 A-150 )
HIS( 20 A-149 )
HIS( 20 A-148 )
HIS( 20 A-147 )
HIS( 20 A-146 )
HIS( 20 A-145 )
SER( 20 A-144 )
HIS( 20 A-143 )
MET( 20 A-142 )
ARG( 20 A-141 )
LYS( 20 A-140 )
ILE( 20 A-139 )
ASP( 20 A-138 )
LEU( 20 A-137 )
CYS( 20 A-136 )
LEU( 20 A-135 )
SER( 20 A-134 )
SER( 20 A-133 )
GLU( 20 A-132 )
GLY( 20 A-131 )
SER( 20 A-130 )
GLU( 20 A-129 )
VAL( 20 A-128 )
ILE( 20 A-127 )
LEU( 20 A-126 )
ALA( 20 A-125 )
THR( 20 A-124 )
SER( 20 A-123 )
SER( 20 A-122 )
ASP( 20 A-121 )
GLU( 20 A-120 )
LYS( 20 A-119 )
HIS( 20 A-118 )
PRO( 20 A-117 )
PRO( 20 A-116 )
GLU( 20 A-115 )
ASN( 20 A-114 )
ILE( 20 A-113 )
ILE( 20 A-112 )
ASP( 20 A-111 )
GLY( 20 A-110 )
ASN( 20 A-109 )
PRO( 20 A-108 )
GLU( 20 A-107 )
THR( 20 A-106 )
PHE( 20 A-105 )
TRP( 20 A-104 )
THR( 20 A-103 )
THR( 20 A-102 )
THR( 20 A-101 )
GLY( 20 A-100 )
MET( 20 A -99 )
PHE( 20 A -98 )
PRO( 20 A -97 )
GLN( 20 A -96 )
GLU( 20 A -95 )
PHE( 20 A -94 )
ILE( 20 A -93 )
ILE( 20 A -92 )
CYS( 20 A -91 )
PHE( 20 A -90 )
HIS( 20 A -89 )
LYS( 20 A -88 )
HIS( 20 A -87 )
VAL( 20 A -86 )
ARG( 20 A -85 )
ILE( 20 A -84 )
GLU( 20 A -83 )
ARG( 20 A -82 )
LEU( 20 A -81 )
VAL( 20 A -80 )
ILE( 20 A -79 )
GLN( 20 A -78 )
SER( 20 A -77 )
TYR( 20 A -76 )
PHE( 20 A -75 )
VAL( 20 A -74 )
GLN( 20 A -73 )
THR( 20 A -72 )
LEU( 20 A -71 )
LYS( 20 A -70 )
ILE( 20 A -69 )
GLU( 20 A -68 )
LYS( 20 A -67 )
SER( 20 A -66 )
THR( 20 A -65 )
SER( 20 A -64 )
LYS( 20 A -63 )
GLU( 20 A -62 )
PRO( 20 A -61 )
VAL( 20 A -60 )
ASP( 20 A -59 )
PHE( 20 A -58 )
GLU( 20 A -57 )
GLN( 20 A -56 )
TRP( 20 A -55 )
ILE( 20 A -54 )
GLU( 20 A -53 )
LYS( 20 A -52 )
ASP( 20 A -51 )
LEU( 20 A -50 )
VAL( 20 A -49 )
HIS( 20 A -48 )
THR( 20 A -47 )
GLU( 20 A -46 )
GLY( 20 A -45 )
GLN( 20 A -44 )
LEU( 20 A -43 )
GLN( 20 A -42 )
ASN( 20 A -41 )
GLU( 20 A -40 )
GLU( 20 A -39 )
ILE( 20 A -38 )
VAL( 20 A -37 )
ALA( 20 A -36 )
HIS( 20 A -35 )
GLY( 20 A -34 )
SER( 20 A -33 )
ALA( 20 A -32 )
THR( 20 A -31 )
TYR( 20 A -30 )
LEU( 20 A -29 )
ARG( 20 A -28 )
PHE( 20 A -27 )
ILE( 20 A -26 )
ILE( 20 A -25 )
VAL( 20 A -24 )
SER( 20 A -23 )
ALA( 20 A -22 )
PHE( 20 A -21 )
ASP( 20 A -20 )
HIS( 20 A -19 )
PHE( 20 A -18 )
ALA( 20 A -17 )
SER( 20 A -16 )
VAL( 20 A -15 )
HIS( 20 A -14 )
SER( 20 A -13 )
VAL( 20 A -12 )
SER( 20 A -11 )
ALA( 20 A -10 )
GLU( 20 A -9 )
GLY( 20 A -8 )
THR( 20 A -7 )
VAL( 20 A -6 )
VAL( 20 A -5 )
SER( 20 A -4 )
ASN( 20 A -3 )
LEU( 20 A -2 )
SER( 20 A -1 )
SER( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET GLY HIS HIS HIS HIS HIS HIS SER HIS MET ARG LYS ILE ASP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: LEU CYS LEU SER SER GLU GLY SER GLU VAL ILE LEU ALA THR SER
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: SER ASP GLU LYS HIS PRO PRO GLU ASN ILE ILE ASP GLY ASN PRO
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: GLU THR PHE TRP THR THR THR GLY MET PHE PRO GLN GLU PHE ILE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: ILE CYS PHE HIS LYS HIS VAL ARG ILE GLU ARG LEU VAL ILE GLN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: SER TYR PHE VAL GLN THR LEU LYS ILE GLU LYS SER THR SER LYS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: GLU PRO VAL ASP PHE GLU GLN TRP ILE GLU LYS ASP LEU VAL HIS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
106 120
SEQRES: THR GLU GLY GLN LEU GLN ASN GLU GLU ILE VAL ALA HIS GLY SER
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
121 135
SEQRES: ALA THR TYR LEU ARG PHE ILE ILE VAL SER ALA PHE ASP HIS PHE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
136 150
SEQRES: ALA SER VAL HIS SER VAL SER ALA GLU GLY THR VAL VAL SER ASN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
151 165
SEQRES: LEU SER SER MET ARG LYS ILE ASP LEU CYS LEU SER SER GLU GLY
COORDS: ... ... ... MET ARG LYS ILE ASP LEU CYS LEU SER SER GLU GLY
1 12
166 180
SEQRES: SER GLU VAL ILE LEU ALA THR SER SER ASP GLU LYS HIS PRO PRO
COORDS: SER GLU VAL ILE LEU ALA THR SER SER ASP GLU LYS HIS PRO PRO
13 27
181 195
SEQRES: GLU ASN ILE ILE ASP GLY ASN PRO GLU THR PHE TRP THR THR THR
COORDS: GLU ASN ILE ILE ASP GLY ASN PRO GLU THR PHE TRP THR THR THR
28 42
196 210
SEQRES: GLY MET PHE PRO GLN GLU PHE ILE ILE CYS PHE HIS LYS HIS VAL
COORDS: GLY MET PHE PRO GLN GLU PHE ILE ILE CYS PHE HIS LYS HIS VAL
43 57
211 225
SEQRES: ARG ILE GLU ARG LEU VAL ILE GLN SER TYR PHE VAL GLN THR LEU
COORDS: ARG ILE GLU ARG LEU VAL ILE GLN SER TYR PHE VAL GLN THR LEU
58 72
226 240
SEQRES: LYS ILE GLU LYS SER THR SER LYS GLU PRO VAL ASP PHE GLU GLN
COORDS: LYS ILE GLU LYS SER THR SER LYS GLU PRO VAL ASP PHE GLU GLN
73 87
241 255
SEQRES: TRP ILE GLU LYS ASP LEU VAL HIS THR GLU GLY GLN LEU GLN ASN
COORDS: TRP ILE GLU LYS ASP LEU VAL HIS THR GLU GLY GLN LEU GLN ASN
88 102
256 270
SEQRES: GLU GLU ILE VAL ALA HIS GLY SER ALA THR TYR LEU ARG PHE ILE
COORDS: GLU GLU ILE VAL ALA HIS GLY SER ALA THR TYR LEU ARG PHE ILE
103 117
271 285
SEQRES: ILE VAL SER ALA PHE ASP HIS PHE ALA SER VAL HIS SER VAL SER
COORDS: ILE VAL SER ALA PHE ASP HIS PHE ALA SER VAL HIS SER VAL SER
118 132
286 296
SEQRES: ALA GLU GLY THR VAL VAL SER ASN LEU SER SER
COORDS: ALA GLU GLY THR VAL VAL SER ASN LEU SER SER
133 143
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 5) HD2
GLU( 1 A 11) HE2
GLU( 1 A 14) HE2
ASP( 1 A 22) HD2
GLU( 1 A 23) HE2
HIS( 1 A 25) HD1
GLU( 1 A 28) HE2
ASP( 1 A 32) HD2
GLU( 1 A 36) HE2
GLU( 1 A 48) HE2
HIS( 1 A 54) HD1
HIS( 1 A 56) HD1
GLU( 1 A 60) HE2
GLU( 1 A 75) HE2
GLU( 1 A 81) HE2
ASP( 1 A 84) HD2
GLU( 1 A 86) HE2
GLU( 1 A 90) HE2
ASP( 1 A 92) HD2
HIS( 1 A 95) HD1
GLU( 1 A 97) HE2
GLU( 1 A 103) HE2
GLU( 1 A 104) HE2
HIS( 1 A 108) HD1
ASP( 1 A 123) HD2
HIS( 1 A 124) HD1
HIS( 1 A 129) HD1
GLU( 1 A 134) HE2
ASP( 2 A 5) HD2
GLU( 2 A 11) HE2
GLU( 2 A 14) HE2
ASP( 2 A 22) HD2
GLU( 2 A 23) HE2
HIS( 2 A 25) HD1
GLU( 2 A 28) HE2
ASP( 2 A 32) HD2
GLU( 2 A 36) HE2
GLU( 2 A 48) HE2
HIS( 2 A 54) HD1
HIS( 2 A 56) HD1
GLU( 2 A 60) HE2
GLU( 2 A 75) HE2
GLU( 2 A 81) HE2
ASP( 2 A 84) HD2
GLU( 2 A 86) HE2
GLU( 2 A 90) HE2
ASP( 2 A 92) HD2
HIS( 2 A 95) HD1
GLU( 2 A 97) HE2
GLU( 2 A 103) HE2
GLU( 2 A 104) HE2
HIS( 2 A 108) HD1
ASP( 2 A 123) HD2
HIS( 2 A 124) HD1
HIS( 2 A 129) HD1
GLU( 2 A 134) HE2
ASP( 3 A 5) HD2
GLU( 3 A 11) HE2
GLU( 3 A 14) HE2
ASP( 3 A 22) HD2
GLU( 3 A 23) HE2
HIS( 3 A 25) HD1
GLU( 3 A 28) HE2
ASP( 3 A 32) HD2
GLU( 3 A 36) HE2
GLU( 3 A 48) HE2
HIS( 3 A 54) HD1
HIS( 3 A 56) HD1
GLU( 3 A 60) HE2
GLU( 3 A 75) HE2
GLU( 3 A 81) HE2
ASP( 3 A 84) HD2
GLU( 3 A 86) HE2
GLU( 3 A 90) HE2
ASP( 3 A 92) HD2
HIS( 3 A 95) HD1
GLU( 3 A 97) HE2
GLU( 3 A 103) HE2
GLU( 3 A 104) HE2
HIS( 3 A 108) HD1
ASP( 3 A 123) HD2
HIS( 3 A 124) HD1
HIS( 3 A 129) HD1
GLU( 3 A 134) HE2
ASP( 4 A 5) HD2
GLU( 4 A 11) HE2
GLU( 4 A 14) HE2
ASP( 4 A 22) HD2
GLU( 4 A 23) HE2
HIS( 4 A 25) HD1
GLU( 4 A 28) HE2
ASP( 4 A 32) HD2
GLU( 4 A 36) HE2
GLU( 4 A 48) HE2
HIS( 4 A 54) HD1
HIS( 4 A 56) HD1
GLU( 4 A 60) HE2
GLU( 4 A 75) HE2
GLU( 4 A 81) HE2
ASP( 4 A 84) HD2
GLU( 4 A 86) HE2
GLU( 4 A 90) HE2
ASP( 4 A 92) HD2
HIS( 4 A 95) HD1
GLU( 4 A 97) HE2
GLU( 4 A 103) HE2
GLU( 4 A 104) HE2
HIS( 4 A 108) HD1
ASP( 4 A 123) HD2
HIS( 4 A 124) HD1
HIS( 4 A 129) HD1
GLU( 4 A 134) HE2
ASP( 5 A 5) HD2
GLU( 5 A 11) HE2
GLU( 5 A 14) HE2
ASP( 5 A 22) HD2
GLU( 5 A 23) HE2
HIS( 5 A 25) HD1
GLU( 5 A 28) HE2
ASP( 5 A 32) HD2
GLU( 5 A 36) HE2
GLU( 5 A 48) HE2
HIS( 5 A 54) HD1
HIS( 5 A 56) HD1
GLU( 5 A 60) HE2
GLU( 5 A 75) HE2
GLU( 5 A 81) HE2
ASP( 5 A 84) HD2
GLU( 5 A 86) HE2
GLU( 5 A 90) HE2
ASP( 5 A 92) HD2
HIS( 5 A 95) HD1
GLU( 5 A 97) HE2
GLU( 5 A 103) HE2
GLU( 5 A 104) HE2
HIS( 5 A 108) HD1
ASP( 5 A 123) HD2
HIS( 5 A 124) HD1
HIS( 5 A 129) HD1
GLU( 5 A 134) HE2
ASP( 6 A 5) HD2
GLU( 6 A 11) HE2
GLU( 6 A 14) HE2
ASP( 6 A 22) HD2
GLU( 6 A 23) HE2
HIS( 6 A 25) HD1
GLU( 6 A 28) HE2
ASP( 6 A 32) HD2
GLU( 6 A 36) HE2
GLU( 6 A 48) HE2
HIS( 6 A 54) HD1
HIS( 6 A 56) HD1
GLU( 6 A 60) HE2
GLU( 6 A 75) HE2
GLU( 6 A 81) HE2
ASP( 6 A 84) HD2
GLU( 6 A 86) HE2
GLU( 6 A 90) HE2
ASP( 6 A 92) HD2
HIS( 6 A 95) HD1
GLU( 6 A 97) HE2
GLU( 6 A 103) HE2
GLU( 6 A 104) HE2
HIS( 6 A 108) HD1
ASP( 6 A 123) HD2
HIS( 6 A 124) HD1
HIS( 6 A 129) HD1
GLU( 6 A 134) HE2
ASP( 7 A 5) HD2
GLU( 7 A 11) HE2
GLU( 7 A 14) HE2
ASP( 7 A 22) HD2
GLU( 7 A 23) HE2
HIS( 7 A 25) HD1
GLU( 7 A 28) HE2
ASP( 7 A 32) HD2
GLU( 7 A 36) HE2
GLU( 7 A 48) HE2
HIS( 7 A 54) HD1
HIS( 7 A 56) HD1
GLU( 7 A 60) HE2
GLU( 7 A 75) HE2
GLU( 7 A 81) HE2
ASP( 7 A 84) HD2
GLU( 7 A 86) HE2
GLU( 7 A 90) HE2
ASP( 7 A 92) HD2
HIS( 7 A 95) HD1
GLU( 7 A 97) HE2
GLU( 7 A 103) HE2
GLU( 7 A 104) HE2
HIS( 7 A 108) HD1
ASP( 7 A 123) HD2
HIS( 7 A 124) HD1
HIS( 7 A 129) HD1
GLU( 7 A 134) HE2
ASP( 8 A 5) HD2
GLU( 8 A 11) HE2
GLU( 8 A 14) HE2
ASP( 8 A 22) HD2
GLU( 8 A 23) HE2
HIS( 8 A 25) HD1
GLU( 8 A 28) HE2
ASP( 8 A 32) HD2
GLU( 8 A 36) HE2
GLU( 8 A 48) HE2
HIS( 8 A 54) HD1
HIS( 8 A 56) HD1
GLU( 8 A 60) HE2
GLU( 8 A 75) HE2
GLU( 8 A 81) HE2
ASP( 8 A 84) HD2
GLU( 8 A 86) HE2
GLU( 8 A 90) HE2
ASP( 8 A 92) HD2
HIS( 8 A 95) HD1
GLU( 8 A 97) HE2
GLU( 8 A 103) HE2
GLU( 8 A 104) HE2
HIS( 8 A 108) HD1
ASP( 8 A 123) HD2
HIS( 8 A 124) HD1
HIS( 8 A 129) HD1
GLU( 8 A 134) HE2
ASP( 9 A 5) HD2
GLU( 9 A 11) HE2
GLU( 9 A 14) HE2
ASP( 9 A 22) HD2
GLU( 9 A 23) HE2
HIS( 9 A 25) HD1
GLU( 9 A 28) HE2
ASP( 9 A 32) HD2
GLU( 9 A 36) HE2
GLU( 9 A 48) HE2
HIS( 9 A 54) HD1
HIS( 9 A 56) HD1
GLU( 9 A 60) HE2
GLU( 9 A 75) HE2
GLU( 9 A 81) HE2
ASP( 9 A 84) HD2
GLU( 9 A 86) HE2
GLU( 9 A 90) HE2
ASP( 9 A 92) HD2
HIS( 9 A 95) HD1
GLU( 9 A 97) HE2
GLU( 9 A 103) HE2
GLU( 9 A 104) HE2
HIS( 9 A 108) HD1
ASP( 9 A 123) HD2
HIS( 9 A 124) HD1
HIS( 9 A 129) HD1
GLU( 9 A 134) HE2
ASP( 10 A 5) HD2
GLU( 10 A 11) HE2
GLU( 10 A 14) HE2
ASP( 10 A 22) HD2
GLU( 10 A 23) HE2
HIS( 10 A 25) HD1
GLU( 10 A 28) HE2
ASP( 10 A 32) HD2
GLU( 10 A 36) HE2
GLU( 10 A 48) HE2
HIS( 10 A 54) HD1
HIS( 10 A 56) HD1
GLU( 10 A 60) HE2
GLU( 10 A 75) HE2
GLU( 10 A 81) HE2
ASP( 10 A 84) HD2
GLU( 10 A 86) HE2
GLU( 10 A 90) HE2
ASP( 10 A 92) HD2
HIS( 10 A 95) HD1
GLU( 10 A 97) HE2
GLU( 10 A 103) HE2
GLU( 10 A 104) HE2
HIS( 10 A 108) HD1
ASP( 10 A 123) HD2
HIS( 10 A 124) HD1
HIS( 10 A 129) HD1
GLU( 10 A 134) HE2
ASP( 11 A 5) HD2
GLU( 11 A 11) HE2
GLU( 11 A 14) HE2
ASP( 11 A 22) HD2
GLU( 11 A 23) HE2
HIS( 11 A 25) HD1
GLU( 11 A 28) HE2
ASP( 11 A 32) HD2
GLU( 11 A 36) HE2
GLU( 11 A 48) HE2
HIS( 11 A 54) HD1
HIS( 11 A 56) HD1
GLU( 11 A 60) HE2
GLU( 11 A 75) HE2
GLU( 11 A 81) HE2
ASP( 11 A 84) HD2
GLU( 11 A 86) HE2
GLU( 11 A 90) HE2
ASP( 11 A 92) HD2
HIS( 11 A 95) HD1
GLU( 11 A 97) HE2
GLU( 11 A 103) HE2
GLU( 11 A 104) HE2
HIS( 11 A 108) HD1
ASP( 11 A 123) HD2
HIS( 11 A 124) HD1
HIS( 11 A 129) HD1
GLU( 11 A 134) HE2
ASP( 12 A 5) HD2
GLU( 12 A 11) HE2
GLU( 12 A 14) HE2
ASP( 12 A 22) HD2
GLU( 12 A 23) HE2
HIS( 12 A 25) HD1
GLU( 12 A 28) HE2
ASP( 12 A 32) HD2
GLU( 12 A 36) HE2
GLU( 12 A 48) HE2
HIS( 12 A 54) HD1
HIS( 12 A 56) HD1
GLU( 12 A 60) HE2
GLU( 12 A 75) HE2
GLU( 12 A 81) HE2
ASP( 12 A 84) HD2
GLU( 12 A 86) HE2
GLU( 12 A 90) HE2
ASP( 12 A 92) HD2
HIS( 12 A 95) HD1
GLU( 12 A 97) HE2
GLU( 12 A 103) HE2
GLU( 12 A 104) HE2
HIS( 12 A 108) HD1
ASP( 12 A 123) HD2
HIS( 12 A 124) HD1
HIS( 12 A 129) HD1
GLU( 12 A 134) HE2
ASP( 13 A 5) HD2
GLU( 13 A 11) HE2
GLU( 13 A 14) HE2
ASP( 13 A 22) HD2
GLU( 13 A 23) HE2
HIS( 13 A 25) HD1
GLU( 13 A 28) HE2
ASP( 13 A 32) HD2
GLU( 13 A 36) HE2
GLU( 13 A 48) HE2
HIS( 13 A 54) HD1
HIS( 13 A 56) HD1
GLU( 13 A 60) HE2
GLU( 13 A 75) HE2
GLU( 13 A 81) HE2
ASP( 13 A 84) HD2
GLU( 13 A 86) HE2
GLU( 13 A 90) HE2
ASP( 13 A 92) HD2
HIS( 13 A 95) HD1
GLU( 13 A 97) HE2
GLU( 13 A 103) HE2
GLU( 13 A 104) HE2
HIS( 13 A 108) HD1
ASP( 13 A 123) HD2
HIS( 13 A 124) HD1
HIS( 13 A 129) HD1
GLU( 13 A 134) HE2
ASP( 14 A 5) HD2
GLU( 14 A 11) HE2
GLU( 14 A 14) HE2
ASP( 14 A 22) HD2
GLU( 14 A 23) HE2
HIS( 14 A 25) HD1
GLU( 14 A 28) HE2
ASP( 14 A 32) HD2
GLU( 14 A 36) HE2
GLU( 14 A 48) HE2
HIS( 14 A 54) HD1
HIS( 14 A 56) HD1
GLU( 14 A 60) HE2
GLU( 14 A 75) HE2
GLU( 14 A 81) HE2
ASP( 14 A 84) HD2
GLU( 14 A 86) HE2
GLU( 14 A 90) HE2
ASP( 14 A 92) HD2
HIS( 14 A 95) HD1
GLU( 14 A 97) HE2
GLU( 14 A 103) HE2
GLU( 14 A 104) HE2
HIS( 14 A 108) HD1
ASP( 14 A 123) HD2
HIS( 14 A 124) HD1
HIS( 14 A 129) HD1
GLU( 14 A 134) HE2
ASP( 15 A 5) HD2
GLU( 15 A 11) HE2
GLU( 15 A 14) HE2
ASP( 15 A 22) HD2
GLU( 15 A 23) HE2
HIS( 15 A 25) HD1
GLU( 15 A 28) HE2
ASP( 15 A 32) HD2
GLU( 15 A 36) HE2
GLU( 15 A 48) HE2
HIS( 15 A 54) HD1
HIS( 15 A 56) HD1
GLU( 15 A 60) HE2
GLU( 15 A 75) HE2
GLU( 15 A 81) HE2
ASP( 15 A 84) HD2
GLU( 15 A 86) HE2
GLU( 15 A 90) HE2
ASP( 15 A 92) HD2
HIS( 15 A 95) HD1
GLU( 15 A 97) HE2
GLU( 15 A 103) HE2
GLU( 15 A 104) HE2
HIS( 15 A 108) HD1
ASP( 15 A 123) HD2
HIS( 15 A 124) HD1
HIS( 15 A 129) HD1
GLU( 15 A 134) HE2
ASP( 16 A 5) HD2
GLU( 16 A 11) HE2
GLU( 16 A 14) HE2
ASP( 16 A 22) HD2
GLU( 16 A 23) HE2
HIS( 16 A 25) HD1
GLU( 16 A 28) HE2
ASP( 16 A 32) HD2
GLU( 16 A 36) HE2
GLU( 16 A 48) HE2
HIS( 16 A 54) HD1
HIS( 16 A 56) HD1
GLU( 16 A 60) HE2
GLU( 16 A 75) HE2
GLU( 16 A 81) HE2
ASP( 16 A 84) HD2
GLU( 16 A 86) HE2
GLU( 16 A 90) HE2
ASP( 16 A 92) HD2
HIS( 16 A 95) HD1
GLU( 16 A 97) HE2
GLU( 16 A 103) HE2
GLU( 16 A 104) HE2
HIS( 16 A 108) HD1
ASP( 16 A 123) HD2
HIS( 16 A 124) HD1
HIS( 16 A 129) HD1
GLU( 16 A 134) HE2
ASP( 17 A 5) HD2
GLU( 17 A 11) HE2
GLU( 17 A 14) HE2
ASP( 17 A 22) HD2
GLU( 17 A 23) HE2
HIS( 17 A 25) HD1
GLU( 17 A 28) HE2
ASP( 17 A 32) HD2
GLU( 17 A 36) HE2
GLU( 17 A 48) HE2
HIS( 17 A 54) HD1
HIS( 17 A 56) HD1
GLU( 17 A 60) HE2
GLU( 17 A 75) HE2
GLU( 17 A 81) HE2
ASP( 17 A 84) HD2
GLU( 17 A 86) HE2
GLU( 17 A 90) HE2
ASP( 17 A 92) HD2
HIS( 17 A 95) HD1
GLU( 17 A 97) HE2
GLU( 17 A 103) HE2
GLU( 17 A 104) HE2
HIS( 17 A 108) HD1
ASP( 17 A 123) HD2
HIS( 17 A 124) HD1
HIS( 17 A 129) HD1
GLU( 17 A 134) HE2
ASP( 18 A 5) HD2
GLU( 18 A 11) HE2
GLU( 18 A 14) HE2
ASP( 18 A 22) HD2
GLU( 18 A 23) HE2
HIS( 18 A 25) HD1
GLU( 18 A 28) HE2
ASP( 18 A 32) HD2
GLU( 18 A 36) HE2
GLU( 18 A 48) HE2
HIS( 18 A 54) HD1
HIS( 18 A 56) HD1
GLU( 18 A 60) HE2
GLU( 18 A 75) HE2
GLU( 18 A 81) HE2
ASP( 18 A 84) HD2
GLU( 18 A 86) HE2
GLU( 18 A 90) HE2
ASP( 18 A 92) HD2
HIS( 18 A 95) HD1
GLU( 18 A 97) HE2
GLU( 18 A 103) HE2
GLU( 18 A 104) HE2
HIS( 18 A 108) HD1
ASP( 18 A 123) HD2
HIS( 18 A 124) HD1
HIS( 18 A 129) HD1
GLU( 18 A 134) HE2
ASP( 19 A 5) HD2
GLU( 19 A 11) HE2
GLU( 19 A 14) HE2
ASP( 19 A 22) HD2
GLU( 19 A 23) HE2
HIS( 19 A 25) HD1
GLU( 19 A 28) HE2
ASP( 19 A 32) HD2
GLU( 19 A 36) HE2
GLU( 19 A 48) HE2
HIS( 19 A 54) HD1
HIS( 19 A 56) HD1
GLU( 19 A 60) HE2
GLU( 19 A 75) HE2
GLU( 19 A 81) HE2
ASP( 19 A 84) HD2
GLU( 19 A 86) HE2
GLU( 19 A 90) HE2
ASP( 19 A 92) HD2
HIS( 19 A 95) HD1
GLU( 19 A 97) HE2
GLU( 19 A 103) HE2
GLU( 19 A 104) HE2
HIS( 19 A 108) HD1
ASP( 19 A 123) HD2
HIS( 19 A 124) HD1
HIS( 19 A 129) HD1
GLU( 19 A 134) HE2
ASP( 20 A 5) HD2
GLU( 20 A 11) HE2
GLU( 20 A 14) HE2
ASP( 20 A 22) HD2
GLU( 20 A 23) HE2
HIS( 20 A 25) HD1
GLU( 20 A 28) HE2
ASP( 20 A 32) HD2
GLU( 20 A 36) HE2
GLU( 20 A 48) HE2
HIS( 20 A 54) HD1
HIS( 20 A 56) HD1
GLU( 20 A 60) HE2
GLU( 20 A 75) HE2
GLU( 20 A 81) HE2
ASP( 20 A 84) HD2
GLU( 20 A 86) HE2
GLU( 20 A 90) HE2
ASP( 20 A 92) HD2
HIS( 20 A 95) HD1
GLU( 20 A 97) HE2
GLU( 20 A 103) HE2
GLU( 20 A 104) HE2
HIS( 20 A 108) HD1
ASP( 20 A 123) HD2
HIS( 20 A 124) HD1
HIS( 20 A 129) HD1
GLU( 20 A 134) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
SER( 1 A 143) O2
SER( 2 A 143) O2
SER( 3 A 143) O2
SER( 4 A 143) O2
SER( 5 A 143) O2
SER( 6 A 143) O2
SER( 7 A 143) O2
SER( 8 A 143) O2
SER( 9 A 143) O2
SER( 10 A 143) O2
SER( 11 A 143) O2
SER( 12 A 143) O2
SER( 13 A 143) O2
SER( 14 A 143) O2
SER( 15 A 143) O2
SER( 16 A 143) O2
SER( 17 A 143) O2
SER( 18 A 143) O2
SER( 19 A 143) O2
SER( 20 A 143) O2