Detailed results of SR478_R3Cons_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 870
# INTRA-RESIDUE RESTRAINTS (I=J) : 188
# SEQUENTIAL RESTRAINTS (I-J)=1 : 232
# BACKBONE-BACKBONE : 62
# BACKBONE-SIDE CHAIN : 43
# SIDE CHAIN-SIDE CHAIN : 127
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 271
# BACKBONE-BACKBONE : 75
# BACKBONE-SIDE CHAIN : 74
# SIDE CHAIN-SIDE CHAIN : 122
# LONG RANGE RESTRAINTS (I-J)>=5 : 179
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 870
# 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
SER 2 0 1.5 1.5 0.0 0.0 0.0
GLU 3 0 4.5 4.5 0.0 0.0 0.0
LEU 4 9 11.5 3.0 1.0 7.5 0.0
PHE 5 0 0.0 0.0 0.0 0.0 0.0
SER 6 0 1.5 0.5 1.0 0.0 0.0
VAL 7 6 6.5 1.0 2.0 3.5 0.0
PRO 8 0 5.0 1.0 4.0 0.0 0.0
TYR 9 1 9.5 3.5 1.0 5.0 0.0
PHE 10 1 15.5 3.5 2.0 10.0 0.0
ILE 11 5 19.0 2.5 8.0 8.5 0.0
GLU 12 3 5.5 3.5 2.0 0.0 0.0
ASN 13 0 6.0 2.5 2.5 1.0 0.0
LEU 14 5 22.0 2.0 7.0 13.0 0.0
LYS 15 1 6.5 2.0 4.5 0.0 0.0
GLN 16 1 7.5 2.5 2.5 2.5 0.0
HIS 17 0 7.0 2.0 3.5 1.5 0.0
ILE 18 5 16.0 2.5 6.0 7.5 0.0
GLU 19 2 4.5 2.5 1.5 0.5 0.0
MET 20 1 5.5 1.5 4.0 0.0 0.0
ASN 21 1 6.5 3.0 2.0 1.5 0.0
GLN 22 3 6.5 4.5 1.0 1.0 0.0
SER 23 0 4.0 3.5 0.5 0.0 0.0
GLU 24 3 9.0 3.0 2.0 4.0 0.0
ASP 25 0 6.5 3.0 2.0 1.5 0.0
LYS 26 7 9.5 4.0 2.0 3.5 0.0
ILE 27 6 15.0 4.0 3.0 8.0 0.0
HIS 28 0 3.0 1.5 1.5 0.0 0.0
ALA 29 0 14.5 1.5 7.0 6.0 0.0
MET 30 0 11.5 2.0 4.0 5.5 0.0
ASN 31 0 4.0 1.5 2.5 0.0 0.0
SER 32 0 3.0 1.5 1.0 0.5 0.0
TYR 33 4 19.5 3.0 7.0 9.5 0.0
TYR 34 4 12.5 2.5 4.5 5.5 0.0
ARG 35 1 1.5 1.0 0.5 0.0 0.0
SER 36 0 2.5 1.5 1.0 0.0 0.0
VAL 37 5 21.5 5.0 8.0 8.5 0.0
VAL 38 1 15.0 5.5 7.0 2.5 0.0
SER 39 1 6.5 3.5 3.0 0.0 0.0
THR 40 2 14.0 6.0 8.0 0.0 0.0
LEU 41 4 14.5 5.0 7.0 2.5 0.0
VAL 42 4 14.0 4.5 6.5 3.0 0.0
GLN 43 1 7.5 4.5 3.0 0.0 0.0
ASP 44 1 5.5 1.5 4.0 0.0 0.0
GLN 45 2 5.5 3.5 1.0 1.0 0.0
LEU 46 10 8.0 5.5 2.0 0.5 0.0
THR 47 3 12.0 5.5 5.5 1.0 0.0
LYS 48 2 17.5 6.0 11.5 0.0 0.0
ASN 49 3 9.0 5.0 4.0 0.0 0.0
ALA 50 1 10.5 4.5 6.0 0.0 0.0
VAL 51 6 18.5 5.0 13.0 0.5 0.0
VAL 52 7 17.0 5.5 7.5 4.0 0.0
LEU 53 8 13.5 4.5 9.0 0.0 0.0
LYS 54 6 10.5 2.5 8.0 0.0 0.0
ARG 55 0 5.5 1.5 3.0 1.0 0.0
ILE 56 2 16.0 3.5 10.0 2.5 0.0
GLN 57 0 7.5 3.0 4.5 0.0 0.0
HIS 58 0 2.5 1.0 1.5 0.0 0.0
LEU 59 4 17.5 3.5 4.5 9.5 0.0
ASP 60 0 7.5 4.0 2.5 1.0 0.0
GLU 61 3 11.5 2.5 2.5 6.5 0.0
ALA 62 0 14.0 2.5 2.5 9.0 0.0
TYR 63 3 13.0 4.0 4.5 4.5 0.0
ASN 64 0 5.0 2.5 2.0 0.5 0.0
LYS 65 0 4.0 1.0 3.0 0.0 0.0
VAL 66 6 11.0 3.0 2.5 5.5 0.0
LYS 67 3 14.0 4.5 5.5 4.0 0.0
ARG 68 5 8.5 4.5 3.5 0.5 0.0
GLY 69 1 7.0 4.5 1.5 1.0 0.0
GLU 70 3 10.0 3.5 4.5 2.0 0.0
SER 71 1 4.5 3.0 0.5 1.0 0.0
LYS 72 6 4.5 3.5 1.0 0.0 0.0
LEU 73 10 6.5 5.0 1.5 0.0 0.0
GLU 74 5 5.5 4.5 1.0 0.0 0.0
HIS 75 0 2.0 1.0 1.0 0.0 0.0
HIS 76 0 0.0 0.0 0.0 0.0 0.0
HIS 77 0 0.0 0.0 0.0 0.0 0.0
HIS 78 0 0.0 0.0 0.0 0.0 0.0
HIS 79 0 0.0 0.0 0.0 0.0 0.0
HIS 80 0 0.0 0.0 0.0 0.0 0.0
MET 1 0 0.0 0.0 0.0 0.0 0.0
SER 2 0 0.0 0.0 0.0 0.0 0.0
GLU 3 0 0.0 0.0 0.0 0.0 0.0
LEU 4 0 0.0 0.0 0.0 0.0 0.0
PHE 5 0 0.0 0.0 0.0 0.0 0.0
SER 6 0 0.0 0.0 0.0 0.0 0.0
VAL 7 0 0.0 0.0 0.0 0.0 0.0
PRO 8 0 0.0 0.0 0.0 0.0 0.0
TYR 9 0 0.0 0.0 0.0 0.0 0.0
PHE 10 0 0.0 0.0 0.0 0.0 0.0
ILE 11 0 0.0 0.0 0.0 0.0 0.0
GLU 12 0 0.0 0.0 0.0 0.0 0.0
ASN 13 0 0.0 0.0 0.0 0.0 0.0
LEU 14 0 0.0 0.0 0.0 0.0 0.0
LYS 15 0 0.0 0.0 0.0 0.0 0.0
GLN 16 0 0.0 0.0 0.0 0.0 0.0
HIS 17 0 0.0 0.0 0.0 0.0 0.0
ILE 18 0 0.0 0.0 0.0 0.0 0.0
GLU 19 0 0.0 0.0 0.0 0.0 0.0
MET 20 0 0.0 0.0 0.0 0.0 0.0
ASN 21 0 0.0 0.0 0.0 0.0 0.0
GLN 22 0 0.0 0.0 0.0 0.0 0.0
SER 23 0 0.0 0.0 0.0 0.0 0.0
GLU 24 0 0.0 0.0 0.0 0.0 0.0
ASP 25 0 0.0 0.0 0.0 0.0 0.0
LYS 26 0 0.0 0.0 0.0 0.0 0.0
ILE 27 0 0.0 0.0 0.0 0.0 0.0
HIS 28 0 0.0 0.0 0.0 0.0 0.0
ALA 29 0 0.0 0.0 0.0 0.0 0.0
MET 30 0 0.0 0.0 0.0 0.0 0.0
ASN 31 0 0.0 0.0 0.0 0.0 0.0
SER 32 0 0.0 0.0 0.0 0.0 0.0
TYR 33 0 0.0 0.0 0.0 0.0 0.0
TYR 34 0 0.0 0.0 0.0 0.0 0.0
ARG 35 0 0.0 0.0 0.0 0.0 0.0
SER 36 0 0.0 0.0 0.0 0.0 0.0
VAL 37 0 0.0 0.0 0.0 0.0 0.0
VAL 38 0 0.0 0.0 0.0 0.0 0.0
SER 39 0 0.0 0.0 0.0 0.0 0.0
THR 40 0 0.0 0.0 0.0 0.0 0.0
LEU 41 0 0.0 0.0 0.0 0.0 0.0
VAL 42 0 0.0 0.0 0.0 0.0 0.0
GLN 43 0 0.0 0.0 0.0 0.0 0.0
ASP 44 0 0.0 0.0 0.0 0.0 0.0
GLN 45 0 0.0 0.0 0.0 0.0 0.0
LEU 46 0 0.0 0.0 0.0 0.0 0.0
THR 47 0 0.0 0.0 0.0 0.0 0.0
LYS 48 0 0.0 0.0 0.0 0.0 0.0
ASN 49 0 0.0 0.0 0.0 0.0 0.0
ALA 50 0 0.0 0.0 0.0 0.0 0.0
VAL 51 0 0.0 0.0 0.0 0.0 0.0
VAL 52 0 0.0 0.0 0.0 0.0 0.0
LEU 53 0 0.0 0.0 0.0 0.0 0.0
LYS 54 0 0.0 0.0 0.0 0.0 0.0
ARG 55 0 0.0 0.0 0.0 0.0 0.0
ILE 56 0 0.0 0.0 0.0 0.0 0.0
GLN 57 0 0.0 0.0 0.0 0.0 0.0
HIS 58 0 0.0 0.0 0.0 0.0 0.0
LEU 59 0 0.0 0.0 0.0 0.0 0.0
ASP 60 0 0.0 0.0 0.0 0.0 0.0
GLU 61 0 0.0 0.0 0.0 0.0 0.0
ALA 62 0 0.0 0.0 0.0 0.0 0.0
TYR 63 0 0.0 0.0 0.0 0.0 0.0
ASN 64 0 0.0 0.0 0.0 0.0 0.0
LYS 65 0 0.0 0.0 0.0 0.0 0.0
VAL 66 0 0.0 0.0 0.0 0.0 0.0
LYS 67 0 0.0 0.0 0.0 0.0 0.0
ARG 68 0 0.0 0.0 0.0 0.0 0.0
GLY 69 0 0.0 0.0 0.0 0.0 0.0
GLU 70 0 0.0 0.0 0.0 0.0 0.0
SER 71 0 0.0 0.0 0.0 0.0 0.0
LYS 72 0 0.0 0.0 0.0 0.0 0.0
LEU 73 0 0.0 0.0 0.0 0.0 0.0
GLU 74 0 0.0 0.0 0.0 0.0 0.0
HIS 75 0 0.0 0.0 0.0 0.0 0.0
HIS 76 0 0.0 0.0 0.0 0.0 0.0
HIS 77 0 0.0 0.0 0.0 0.0 0.0
HIS 78 0 0.0 0.0 0.0 0.0 0.0
HIS 79 0 0.0 0.0 0.0 0.0 0.0
HIS 80 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 188 682.0 232.0 271.0 179.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 870.0
List of conformationally-resticting NOE constraints
assign ((segid A and resid 7 and name HA )) ((segid A and resid 7 and name HG1# )) 4.09 2.29 0.00
assign ((segid A and resid 37 and name HG1# )) ((segid A and resid 40 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 37 and name HG2# )) ((segid A and resid 40 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 37 and name HA )) ((segid A and resid 40 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 40 and name HB )) ((segid A and resid 41 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 52 and name HA )) ((segid A and resid 52 and name HG1# )) 3.45 1.65 0.00
assign ((segid A and resid 38 and name HA )) ((segid A and resid 41 and name HG )) 4.15 2.35 0.00
assign ((segid A and resid 11 and name HA )) ((segid A and resid 14 and name HD2# )) 4.20 2.40 0.00
assign ((segid A and resid 11 and name HA )) ((segid A and resid 62 and name HB# )) 6.00 4.20 0.00
assign ((segid A and resid 11 and name HA )) ((segid A and resid 14 and name HD1# )) 4.20 2.40 0.00
assign ((segid A and resid 7 and name HB )) ((segid A and resid 8 and name HA )) 4.84 3.04 0.00
assign ((segid A and resid 8 and name HA )) ((segid A and resid 11 and name HB )) 3.59 1.79 0.00
assign ((segid A and resid 8 and name HA )) ((segid A and resid 11 and name HG2# )) 4.48 2.68 0.00
assign ((segid A and resid 8 and name HA )) ((segid A and resid 11 and name HD1# )) 4.62 2.82 0.00
assign ((segid A and resid 66 and name HA )) ((segid A and resid 66 and name HG2# )) 3.43 1.63 0.00
assign ((segid A and resid 37 and name HA )) ((segid A and resid 37 and name HG1# )) 3.53 1.73 0.00
assign ((segid A and resid 37 and name HA )) ((segid A and resid 41 and name HG )) 6.00 4.20 0.00
assign ((segid A and resid 37 and name HA )) ((segid A and resid 37 and name HG2# )) 3.53 1.73 0.00
assign ((segid A and resid 51 and name HA )) ((segid A and resid 51 and name HG2# )) 3.27 1.47 0.00
assign ((segid A and resid 51 and name HA )) ((segid A and resid 51 and name HG1# )) 3.27 1.47 0.00
assign ((segid A and resid 47 and name HA )) ((segid A and resid 47 and name HG2# )) 3.59 1.79 0.00
assign ((segid A and resid 27 and name HA )) ((segid A and resid 27 and name HD1# )) 3.32 1.52 0.00
assign ((segid A and resid 17 and name HA )) ((segid A and resid 19 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 17 and name HA )) ((segid A and resid 20 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 17 and name HA )) ((segid A and resid 25 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 15 and name HA )) ((segid A and resid 18 and name HG1# )) 3.48 1.68 0.00
assign ((segid A and resid 65 and name HA )) ((segid A and resid 67 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 18 and name HG2# )) ((segid A and resid 26 and name HA )) 3.55 1.75 0.00
assign ((segid A and resid 18 and name HD1# )) ((segid A and resid 26 and name HA )) 4.87 3.07 0.00
assign ((segid A and resid 26 and name HA )) ((segid A and resid 29 and name HB# )) 3.65 1.85 0.00
assign ((segid A and resid 29 and name HB# )) ((segid A and resid 30 and name HA )) 6.00 4.20 0.00
assign ((segid A and resid 30 and name HA )) ((segid A and resid 66 and name HG2# )) 5.20 3.40 0.00
assign ((segid A and resid 14 and name HA )) ((segid A and resid 18 and name HG1# )) 6.00 4.20 0.00
assign ((segid A and resid 66 and name HB )) ((segid A and resid 67 and name HA )) 6.00 4.20 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 67 and name HA )) 4.10 2.30 0.00
assign ((segid A and resid 67 and name HA )) ((segid A and resid 67 and name HG1 )) 3.44 1.64 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 14 and name HA )) 6.00 4.20 0.00
assign ((segid A and resid 14 and name HA )) ((segid A and resid 18 and name HD1# )) 6.00 4.20 0.00
assign ((segid A and resid 18 and name HB )) ((segid A and resid 19 and name HA )) 4.76 2.96 0.00
assign ((segid A and resid 53 and name HA )) ((segid A and resid 56 and name HD1# )) 4.44 2.64 0.00
assign ((segid A and resid 72 and name HA )) ((segid A and resid 73 and name HN )) 3.57 1.77 0.00
assign ((segid A and resid 58 and name HA )) ((segid A and resid 61 and name HN )) 4.14 2.34 0.00
assign ((segid A and resid 64 and name HA )) ((segid A and resid 67 and name HN )) 3.84 2.04 0.00
assign ((segid A and resid 49 and name HA )) ((segid A and resid 50 and name HB# )) 6.00 4.20 0.00
assign ((segid A and resid 46 and name HA )) ((segid A and resid 48 and name HN )) 3.66 1.86 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 46 and name HA )) 2.93 1.13 0.00
assign ((segid A and resid 46 and name HA )) ((segid A and resid 52 and name HN )) 5.69 3.89 0.00
assign ((segid A and resid 74 and name HA )) ((segid A and resid 74 and name HG1 )) 4.11 2.31 0.00
assign ((segid A and resid 74 and name HA )) ((segid A and resid 74 and name HG2 )) 4.11 2.31 0.00
assign ((segid A and resid 3 and name HA )) ((segid A and resid 4 and name HA )) 4.61 2.81 0.00
assign ((segid A and resid 73 and name HA )) ((segid A and resid 73 and name HG )) 3.51 1.71 0.00
assign ((segid A and resid 24 and name HA )) ((segid A and resid 25 and name HB1 )) 6.00 4.20 0.00
assign ((segid A and resid 25 and name HB2 )) ((segid A and resid 30 and name HN )) 5.83 4.03 0.00
assign ((segid A and resid 46 and name HB2 )) ((segid A and resid 46 and name HD2# )) 3.28 1.48 0.00
assign ((segid A and resid 54 and name HD1 )) ((segid A and resid 54 and name HE# )) 2.36 0.56 0.00
assign ((segid A and resid 54 and name HD2 )) ((segid A and resid 54 and name HE# )) 2.36 0.56 0.00
assign ((segid A and resid 73 and name HB1 )) ((segid A and resid 73 and name HD1# )) 3.73 1.93 0.00
assign ((segid A and resid 73 and name HB1 )) ((segid A and resid 73 and name HD2# )) 3.73 1.93 0.00
assign ((segid A and resid 73 and name HB2 )) ((segid A and resid 73 and name HD1# )) 3.73 1.93 0.00
assign ((segid A and resid 73 and name HB2 )) ((segid A and resid 73 and name HD2# )) 3.73 1.93 0.00
assign ((segid A and resid 53 and name HD1# )) ((segid A and resid 56 and name HB )) 5.17 3.37 0.00
assign ((segid A and resid 7 and name HG2# )) ((segid A and resid 61 and name HG2 )) 6.00 4.20 0.00
assign ((segid A and resid 17 and name HN )) ((segid A and resid 24 and name HG2 )) 6.00 4.20 0.00
assign ((segid A and resid 16 and name HG1 )) ((segid A and resid 17 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 16 and name HG1 )) ((segid A and resid 21 and name HN )) 5.17 3.37 0.00
assign ((segid A and resid 16 and name HG2 )) ((segid A and resid 17 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 26 and name HB2 )) 4.06 2.26 0.00
assign ((segid A and resid 72 and name HN )) ((segid A and resid 72 and name HB1 )) 4.02 2.22 0.00
assign ((segid A and resid 66 and name HN )) ((segid A and resid 66 and name HB )) 4.17 2.37 0.00
assign ((segid A and resid 64 and name HN )) ((segid A and resid 66 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 67 and name HB1 )) 6.00 4.20 0.00
assign ((segid A and resid 24 and name HB1 )) ((segid A and resid 25 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 51 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 17 and name HN )) ((segid A and resid 24 and name HB1 )) 6.00 4.20 0.00
assign ((segid A and resid 52 and name HB )) ((segid A and resid 53 and name HN )) 4.56 2.76 0.00
assign ((segid A and resid 70 and name HB2 )) ((segid A and resid 71 and name HN )) 4.13 2.33 0.00
assign ((segid A and resid 67 and name HN )) ((segid A and resid 68 and name HB1 )) 6.00 4.20 0.00
assign ((segid A and resid 22 and name HB2 )) ((segid A and resid 23 and name HN )) 4.16 2.36 0.00
assign ((segid A and resid 46 and name HG )) ((segid A and resid 48 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 46 and name HG )) 5.36 3.56 0.00
assign ((segid A and resid 73 and name HG )) ((segid A and resid 74 and name HN )) 4.46 2.66 0.00
assign ((segid A and resid 73 and name HN )) ((segid A and resid 73 and name HG )) 4.49 2.69 0.00
assign ((segid A and resid 14 and name HD1# )) ((segid A and resid 62 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 59 and name HG )) ((segid A and resid 60 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 66 and name HG2# )) 3.96 2.16 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 46 and name HD1# )) 4.91 3.11 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 67 and name HG1 )) 4.93 3.13 0.00
assign ((segid A and resid 46 and name HB1 )) ((segid A and resid 46 and name HD1# )) 3.28 1.48 0.00
assign ((segid A and resid 46 and name HB2 )) ((segid A and resid 46 and name HD1# )) 3.28 1.48 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 53 and name HD1# )) 4.53 2.73 0.00
assign ((segid A and resid 53 and name HA )) ((segid A and resid 53 and name HD1# )) 4.21 2.41 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 53 and name HD2# )) 4.53 2.73 0.00
assign ((segid A and resid 53 and name HD2# )) ((segid A and resid 56 and name HB )) 5.17 3.37 0.00
assign ((segid A and resid 53 and name HA )) ((segid A and resid 53 and name HD2# )) 4.21 2.41 0.00
assign ((segid A and resid 4 and name HD2# )) ((segid A and resid 10 and name HE# )) 4.98 3.18 0.00
assign ((segid A and resid 4 and name HD2# )) ((segid A and resid 10 and name HD# )) 6.00 4.20 0.00
assign ((segid A and resid 4 and name HD2# )) ((segid A and resid 9 and name HE# )) 4.75 2.95 0.00
assign ((segid A and resid 4 and name HA )) ((segid A and resid 4 and name HD2# )) 4.34 2.54 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HD2# )) 6.00 4.20 0.00
assign ((segid A and resid 4 and name HD1# )) ((segid A and resid 10 and name HE# )) 4.98 3.18 0.00
assign ((segid A and resid 4 and name HD1# )) ((segid A and resid 10 and name HD# )) 6.00 4.20 0.00
assign ((segid A and resid 4 and name HD1# )) ((segid A and resid 9 and name HE# )) 4.75 2.95 0.00
assign ((segid A and resid 4 and name HD1# )) ((segid A and resid 9 and name HD# )) 5.59 3.79 0.00
assign ((segid A and resid 4 and name HA )) ((segid A and resid 4 and name HD1# )) 4.34 2.54 0.00
assign ((segid A and resid 7 and name HN )) ((segid A and resid 7 and name HG2# )) 4.85 3.05 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 and name HG2# )) 6.00 4.20 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 52 and name HN )) 4.99 3.19 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 46 and name HD2# )) 4.91 3.11 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 48 and name HN )) 3.95 2.15 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 51 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 7 and name HA )) ((segid A and resid 7 and name HG2# )) 4.09 2.29 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 52 and name HG2# )) 5.13 3.33 0.00
assign ((segid A and resid 52 and name HA )) ((segid A and resid 52 and name HG2# )) 3.45 1.65 0.00
assign ((segid A and resid 46 and name HB1 )) ((segid A and resid 46 and name HD2# )) 3.28 1.48 0.00
assign ((segid A and resid 10 and name HZ )) ((segid A and resid 37 and name HG1# )) 4.31 2.51 0.00
assign ((segid A and resid 10 and name HE# )) ((segid A and resid 37 and name HG1# )) 4.11 2.31 0.00
assign ((segid A and resid 10 and name HE# )) ((segid A and resid 37 and name HG2# )) 4.11 2.31 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 51 and name HG2# )) 5.55 3.75 0.00
assign ((segid A and resid 47 and name HN )) ((segid A and resid 51 and name HG2# )) 4.92 3.12 0.00
assign ((segid A and resid 30 and name HA )) ((segid A and resid 66 and name HG1# )) 5.20 3.40 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 66 and name HG1# )) 3.88 2.08 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 52 and name HG1# )) 5.13 3.33 0.00
assign ((segid A and resid 59 and name HA )) ((segid A and resid 62 and name HB# )) 6.00 4.20 0.00
assign ((segid A and resid 14 and name HD1# )) ((segid A and resid 62 and name HB# )) 3.91 2.11 0.00
assign ((segid A and resid 40 and name HA )) ((segid A and resid 40 and name HG2# )) 3.55 1.75 0.00
assign ((segid A and resid 37 and name HA )) ((segid A and resid 40 and name HG2# )) 5.52 3.72 0.00
assign ((segid A and resid 7 and name HG1# )) ((segid A and resid 61 and name HG1 )) 6.00 4.20 0.00
assign ((segid A and resid 7 and name HG1# )) ((segid A and resid 61 and name HG2 )) 6.00 4.20 0.00
assign ((segid A and resid 37 and name HN )) ((segid A and resid 59 and name HD1# )) 5.39 3.59 0.00
assign ((segid A and resid 42 and name HG2# )) ((segid A and resid 43 and name HN )) 5.19 3.39 0.00
assign ((segid A and resid 42 and name HN )) ((segid A and resid 42 and name HG2# )) 4.09 2.29 0.00
assign ((segid A and resid 50 and name HB# )) ((segid A and resid 51 and name HN )) 4.61 2.81 0.00
assign ((segid A and resid 48 and name HE2 )) ((segid A and resid 50 and name HB# )) 5.27 3.47 0.00
assign ((segid A and resid 48 and name HE1 )) ((segid A and resid 50 and name HB# )) 5.27 3.47 0.00
assign ((segid A and resid 50 and name HB# )) ((segid A and resid 51 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 50 and name HN )) ((segid A and resid 50 and name HB# )) 3.44 1.64 0.00
assign ((segid A and resid 50 and name HB# )) ((segid A and resid 53 and name HN )) 5.44 3.64 0.00
assign ((segid A and resid 56 and name HG2# )) ((segid A and resid 57 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 56 and name HG2# )) ((segid A and resid 60 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 53 and name HA )) ((segid A and resid 56 and name HG2# )) 6.00 4.20 0.00
assign ((segid A and resid 56 and name HG2# )) ((segid A and resid 57 and name HA )) 6.00 4.20 0.00
assign ((segid A and resid 38 and name HA )) ((segid A and resid 56 and name HG2# )) 6.00 4.20 0.00
assign ((segid A and resid 25 and name HN )) ((segid A and resid 29 and name HB# )) 3.80 2.00 0.00
assign ((segid A and resid 24 and name HB1 )) ((segid A and resid 29 and name HB# )) 5.10 3.30 0.00
assign ((segid A and resid 14 and name HA )) ((segid A and resid 29 and name HB# )) 4.23 2.43 0.00
assign ((segid A and resid 27 and name HG2# )) ((segid A and resid 29 and name HB# )) 5.40 3.60 0.00
assign ((segid A and resid 27 and name HG2# )) ((segid A and resid 28 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 27 and name HG2# )) 6.00 4.20 0.00
assign ((segid A and resid 18 and name HG2# )) ((segid A and resid 18 and name HG1# )) 3.19 1.39 0.00
assign ((segid A and resid 15 and name HN )) ((segid A and resid 18 and name HG2# )) 5.06 3.26 0.00
assign ((segid A and resid 18 and name HN )) ((segid A and resid 18 and name HG2# )) 4.43 2.63 0.00
assign ((segid A and resid 18 and name HG2# )) ((segid A and resid 19 and name HN )) 4.72 2.92 0.00
assign ((segid A and resid 15 and name HA )) ((segid A and resid 18 and name HG2# )) 5.28 3.48 0.00
assign ((segid A and resid 18 and name HG2# )) ((segid A and resid 29 and name HB# )) 3.62 1.82 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 14 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 62 and name HA )) 4.50 2.70 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 62 and name HB# )) 3.41 1.61 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 62 and name HA )) 4.49 2.69 0.00
assign ((segid A and resid 11 and name HB )) ((segid A and resid 11 and name HD1# )) 2.98 1.18 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 62 and name HB# )) 3.56 1.76 0.00
assign ((segid A and resid 18 and name HN )) ((segid A and resid 18 and name HD1# )) 4.99 3.19 0.00
assign ((segid A and resid 18 and name HD1# )) ((segid A and resid 19 and name HA )) 6.00 4.20 0.00
assign ((segid A and resid 18 and name HD1# )) ((segid A and resid 29 and name HB# )) 4.55 2.75 0.00
assign ((segid A and resid 15 and name HA )) ((segid A and resid 18 and name HD1# )) 3.94 2.14 0.00
assign ((segid A and resid 18 and name HA )) ((segid A and resid 18 and name HD1# )) 4.49 2.69 0.00
assign ((segid A and resid 56 and name HN )) ((segid A and resid 56 and name HD1# )) 5.19 3.39 0.00
assign ((segid A and resid 42 and name HB )) ((segid A and resid 56 and name HD1# )) 5.86 4.06 0.00
assign ((segid A and resid 56 and name HB )) ((segid A and resid 56 and name HD1# )) 3.48 1.68 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 67 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 71 and name HN )) 4.98 3.18 0.00
assign ((segid A and resid 27 and name HN )) ((segid A and resid 27 and name HD1# )) 5.00 3.20 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 63 and name HE# )) 6.00 4.20 0.00
assign ((segid A and resid 27 and name HB )) ((segid A and resid 27 and name HD1# )) 3.28 1.48 0.00
assign ((segid A and resid 21 and name HA )) ((segid A and resid 24 and name HB2 )) 6.00 4.20 0.00
assign ((segid A and resid 7 and name HG2# )) ((segid A and resid 61 and name HG1 )) 6.00 4.20 0.00
assign ((segid A and resid 41 and name HN )) ((segid A and resid 41 and name HG )) 6.00 4.20 0.00
assign ((segid A and resid 14 and name HD2# )) ((segid A and resid 62 and name HB# )) 3.91 2.11 0.00
assign ((segid A and resid 34 and name HD# )) ((segid A and resid 59 and name HD2# )) 6.00 4.20 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 51 and name HG2# )) 2.79 0.99 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 51 and name HG1# )) 2.79 0.99 0.00
assign ((segid A and resid 18 and name HG1# )) ((segid A and resid 29 and name HB# )) 5.35 3.55 0.00
assign ((segid A and resid 29 and name HB# )) ((segid A and resid 66 and name HB )) 5.61 3.81 0.00
assign ((segid A and resid 16 and name HA )) ((segid A and resid 20 and name HE# )) 4.71 2.91 0.00
assign ((segid A and resid 19 and name HN )) ((segid A and resid 20 and name HE# )) 5.85 4.05 0.00
assign ((segid A and resid 17 and name HN )) ((segid A and resid 20 and name HE# )) 6.00 4.20 0.00
assign ((segid A and resid 3 and name HA )) ((segid A and resid 4 and name HN )) 3.44 1.64 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HG )) 4.88 3.08 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HD1# )) 6.00 4.20 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 51 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 47 and name HN )) ((segid A and resid 48 and name HN )) 5.37 3.57 0.00
assign ((segid A and resid 47 and name HA )) ((segid A and resid 48 and name HN )) 3.28 1.48 0.00
assign ((segid A and resid 47 and name HB )) ((segid A and resid 48 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 51 and name HG1# )) 5.55 3.75 0.00
assign ((segid A and resid 25 and name HB1 )) ((segid A and resid 26 and name HN )) 4.39 2.59 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 26 and name HB1 )) 4.06 2.26 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 26 and name HG1 )) 5.14 3.34 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 26 and name HG2 )) 5.14 3.34 0.00
assign ((segid A and resid 45 and name HN )) ((segid A and resid 46 and name HG )) 6.00 4.20 0.00
assign ((segid A and resid 12 and name HN )) ((segid A and resid 14 and name HN )) 5.65 3.85 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 16 and name HN )) 5.85 4.05 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HG )) 3.83 2.03 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HD2# )) 3.96 2.16 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HD1# )) 3.96 2.16 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 33 and name HE# )) 6.00 4.20 0.00
assign ((segid A and resid 26 and name HA )) ((segid A and resid 29 and name HN )) 4.98 3.18 0.00
assign ((segid A and resid 28 and name HN )) ((segid A and resid 29 and name HN )) 4.15 2.35 0.00
assign ((segid A and resid 25 and name HB2 )) ((segid A and resid 29 and name HN )) 4.46 2.66 0.00
assign ((segid A and resid 29 and name HN )) ((segid A and resid 31 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 27 and name HN )) ((segid A and resid 29 and name HN )) 5.65 3.85 0.00
assign ((segid A and resid 27 and name HB )) ((segid A and resid 29 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 27 and name HG2# )) ((segid A and resid 29 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 59 and name HN )) ((segid A and resid 59 and name HD1# )) 4.98 3.18 0.00
assign ((segid A and resid 59 and name HN )) ((segid A and resid 59 and name HD2# )) 4.98 3.18 0.00
assign ((segid A and resid 56 and name HD1# )) ((segid A and resid 59 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 56 and name HB )) ((segid A and resid 59 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 71 and name HA )) ((segid A and resid 72 and name HN )) 3.07 1.27 0.00
assign ((segid A and resid 72 and name HN )) ((segid A and resid 74 and name HG1 )) 6.00 4.20 0.00
assign ((segid A and resid 72 and name HN )) ((segid A and resid 74 and name HG2 )) 6.00 4.20 0.00
assign ((segid A and resid 72 and name HN )) ((segid A and resid 72 and name HB2 )) 4.02 2.22 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 62 and name HA )) 5.83 4.03 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 62 and name HB# )) 4.38 2.58 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 11 and name HD1# )) 4.03 2.23 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 13 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 11 and name HB )) 3.37 1.57 0.00
assign ((segid A and resid 25 and name HN )) ((segid A and resid 28 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 38 and name HA )) ((segid A and resid 41 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 24 and name HB2 )) ((segid A and resid 25 and name HN )) 3.75 1.95 0.00
assign ((segid A and resid 32 and name HN )) ((segid A and resid 33 and name HN )) 3.91 2.11 0.00
assign ((segid A and resid 33 and name HN )) ((segid A and resid 33 and name HD# )) 4.91 3.11 0.00
assign ((segid A and resid 33 and name HN )) ((segid A and resid 33 and name HB1 )) 3.88 2.08 0.00
assign ((segid A and resid 30 and name HA )) ((segid A and resid 33 and name HN )) 4.44 2.64 0.00
assign ((segid A and resid 33 and name HN )) ((segid A and resid 33 and name HB2 )) 3.88 2.08 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 49 and name HN )) 4.56 2.76 0.00
assign ((segid A and resid 48 and name HA )) ((segid A and resid 49 and name HN )) 3.11 1.31 0.00
assign ((segid A and resid 49 and name HN )) ((segid A and resid 49 and name HB1 )) 4.14 2.34 0.00
assign ((segid A and resid 49 and name HN )) ((segid A and resid 49 and name HB2 )) 4.14 2.34 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 11 and name HG2# )) 4.12 2.32 0.00
assign ((segid A and resid 2 and name HB1 )) ((segid A and resid 3 and name HN )) 5.08 3.28 0.00
assign ((segid A and resid 3 and name HN )) ((segid A and resid 4 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 2 and name HB2 )) ((segid A and resid 3 and name HN )) 5.08 3.28 0.00
assign ((segid A and resid 40 and name HN )) ((segid A and resid 41 and name HN )) 3.76 1.96 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 41 and name HN )) 4.55 2.75 0.00
assign ((segid A and resid 41 and name HN )) ((segid A and resid 42 and name HN )) 3.55 1.75 0.00
assign ((segid A and resid 33 and name HE# )) ((segid A and resid 37 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 33 and name HD# )) ((segid A and resid 37 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 37 and name HN )) ((segid A and resid 37 and name HB )) 3.77 1.97 0.00
assign ((segid A and resid 37 and name HN )) ((segid A and resid 59 and name HD2# )) 5.39 3.59 0.00
assign ((segid A and resid 33 and name HN )) ((segid A and resid 37 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 29 and name HB# )) ((segid A and resid 33 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 24 and name HN )) ((segid A and resid 25 and name HN )) 4.41 2.61 0.00
assign ((segid A and resid 23 and name HN )) ((segid A and resid 24 and name HN )) 3.39 1.59 0.00
assign ((segid A and resid 24 and name HN )) ((segid A and resid 24 and name HB2 )) 3.59 1.79 0.00
assign ((segid A and resid 21 and name HA )) ((segid A and resid 24 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 73 and name HA )) ((segid A and resid 74 and name HN )) 3.22 1.42 0.00
assign ((segid A and resid 10 and name HN )) ((segid A and resid 11 and name HN )) 4.31 2.51 0.00
assign ((segid A and resid 9 and name HD# )) ((segid A and resid 10 and name HN )) 4.68 2.88 0.00
assign ((segid A and resid 9 and name HN )) ((segid A and resid 10 and name HN )) 4.24 2.44 0.00
assign ((segid A and resid 65 and name HN )) ((segid A and resid 67 and name HN )) 4.71 2.91 0.00
assign ((segid A and resid 67 and name HN )) ((segid A and resid 68 and name HN )) 3.61 1.81 0.00
assign ((segid A and resid 67 and name HN )) ((segid A and resid 67 and name HB2 )) 3.66 1.86 0.00
assign ((segid A and resid 8 and name HA )) ((segid A and resid 10 and name HN )) 4.85 3.05 0.00
assign ((segid A and resid 59 and name HN )) ((segid A and resid 60 and name HN )) 3.82 2.02 0.00
assign ((segid A and resid 59 and name HD1# )) ((segid A and resid 60 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 66 and name HN )) ((segid A and resid 67 and name HG1 )) 4.66 2.86 0.00
assign ((segid A and resid 66 and name HN )) ((segid A and resid 66 and name HG2# )) 3.70 1.90 0.00
assign ((segid A and resid 66 and name HN )) ((segid A and resid 66 and name HG1# )) 3.70 1.90 0.00
assign ((segid A and resid 59 and name HD2# )) ((segid A and resid 60 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 and name HB )) 5.29 3.49 0.00
assign ((segid A and resid 65 and name HN )) ((segid A and resid 66 and name HN )) 3.41 1.61 0.00
assign ((segid A and resid 18 and name HN )) ((segid A and resid 25 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 38 and name HN )) ((segid A and resid 41 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 37 and name HN )) ((segid A and resid 38 and name HN )) 3.55 1.75 0.00
assign ((segid A and resid 38 and name HN )) ((segid A and resid 39 and name HN )) 3.87 2.07 0.00
assign ((segid A and resid 38 and name HN )) ((segid A and resid 40 and name HN )) 5.93 4.13 0.00
assign ((segid A and resid 15 and name HA )) ((segid A and resid 18 and name HN )) 4.44 2.64 0.00
assign ((segid A and resid 37 and name HG2# )) ((segid A and resid 38 and name HN )) 4.63 2.83 0.00
assign ((segid A and resid 33 and name HE# )) ((segid A and resid 38 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 33 and name HD# )) ((segid A and resid 38 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 38 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 37 and name HB )) ((segid A and resid 38 and name HN )) 4.58 2.78 0.00
assign ((segid A and resid 49 and name HA )) ((segid A and resid 52 and name HN )) 4.98 3.18 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 52 and name HB )) 3.70 1.90 0.00
assign ((segid A and resid 69 and name HN )) ((segid A and resid 70 and name HN )) 3.33 1.53 0.00
assign ((segid A and resid 68 and name HN )) ((segid A and resid 70 and name HN )) 4.88 3.08 0.00
assign ((segid A and resid 67 and name HA )) ((segid A and resid 70 and name HN )) 4.29 2.49 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 70 and name HN )) 5.25 3.45 0.00
assign ((segid A and resid 38 and name HN )) ((segid A and resid 40 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 18 and name HN )) ((segid A and resid 29 and name HB# )) 4.93 3.13 0.00
assign ((segid A and resid 18 and name HN )) ((segid A and resid 18 and name HG1# )) 3.55 1.75 0.00
assign ((segid A and resid 37 and name HG1# )) ((segid A and resid 38 and name HN )) 4.63 2.83 0.00
assign ((segid A and resid 7 and name HN )) ((segid A and resid 7 and name HB )) 4.07 2.27 0.00
assign ((segid A and resid 7 and name HN )) ((segid A and resid 7 and name HG1# )) 4.85 3.05 0.00
assign ((segid A and resid 7 and name HN )) ((segid A and resid 10 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 34 and name HN )) ((segid A and resid 36 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 33 and name HN )) ((segid A and resid 34 and name HN )) 3.85 2.05 0.00
assign ((segid A and resid 34 and name HN )) ((segid A and resid 35 and name HN )) 4.15 2.35 0.00
assign ((segid A and resid 32 and name HN )) ((segid A and resid 34 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 56 and name HN )) ((segid A and resid 57 and name HN )) 4.26 2.46 0.00
assign ((segid A and resid 54 and name HA )) ((segid A and resid 57 and name HN )) 4.49 2.69 0.00
assign ((segid A and resid 55 and name HA )) ((segid A and resid 57 and name HN )) 4.84 3.04 0.00
assign ((segid A and resid 56 and name HD1# )) ((segid A and resid 57 and name HN )) 4.52 2.72 0.00
assign ((segid A and resid 30 and name HA )) ((segid A and resid 34 and name HN )) 3.89 2.09 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 and name HN )) 3.23 1.43 0.00
assign ((segid A and resid 46 and name HA )) ((segid A and resid 47 and name HN )) 3.55 1.75 0.00
assign ((segid A and resid 47 and name HN )) ((segid A and resid 47 and name HB )) 3.74 1.94 0.00
assign ((segid A and resid 47 and name HN )) ((segid A and resid 47 and name HG2# )) 4.21 2.41 0.00
assign ((segid A and resid 47 and name HN )) ((segid A and resid 51 and name HG1# )) 4.92 3.12 0.00
assign ((segid A and resid 49 and name HN )) ((segid A and resid 50 and name HN )) 4.18 2.38 0.00
assign ((segid A and resid 50 and name HN )) ((segid A and resid 52 and name HN )) 4.98 3.18 0.00
assign ((segid A and resid 50 and name HN )) ((segid A and resid 51 and name HN )) 3.87 2.07 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 50 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 74 and name HA )) ((segid A and resid 75 and name HN )) 3.37 1.57 0.00
assign ((segid A and resid 44 and name HN )) ((segid A and resid 45 and name HN )) 4.68 2.88 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 44 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 42 and name HN )) ((segid A and resid 44 and name HN )) 5.16 3.36 0.00
assign ((segid A and resid 41 and name HA )) ((segid A and resid 44 and name HN )) 5.42 3.62 0.00
assign ((segid A and resid 42 and name HB )) ((segid A and resid 44 and name HN )) 5.64 3.84 0.00
assign ((segid A and resid 25 and name HB2 )) ((segid A and resid 28 and name HN )) 3.71 1.91 0.00
assign ((segid A and resid 21 and name HN )) ((segid A and resid 22 and name HN )) 3.90 2.10 0.00
assign ((segid A and resid 16 and name HG2 )) ((segid A and resid 21 and name HN )) 5.17 3.37 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 54 and name HN )) 3.79 1.99 0.00
assign ((segid A and resid 54 and name HN )) ((segid A and resid 55 and name HN )) 4.11 2.31 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 54 and name HN )) 4.42 2.62 0.00
assign ((segid A and resid 54 and name HN )) ((segid A and resid 56 and name HN )) 5.09 3.29 0.00
assign ((segid A and resid 51 and name HA )) ((segid A and resid 54 and name HN )) 4.33 2.53 0.00
assign ((segid A and resid 51 and name HN )) ((segid A and resid 54 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 63 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 62 and name HN )) ((segid A and resid 63 and name HN )) 3.73 1.93 0.00
assign ((segid A and resid 62 and name HB# )) ((segid A and resid 63 and name HN )) 4.21 2.41 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 63 and name HN )) 5.65 3.85 0.00
assign ((segid A and resid 59 and name HG )) ((segid A and resid 63 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 63 and name HN )) ((segid A and resid 66 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 34 and name HD# )) ((segid A and resid 63 and name HN )) 5.78 3.98 0.00
assign ((segid A and resid 61 and name HA )) ((segid A and resid 63 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 22 and name HN )) ((segid A and resid 24 and name HN )) 4.71 2.91 0.00
assign ((segid A and resid 21 and name HA )) ((segid A and resid 22 and name HN )) 3.42 1.62 0.00
assign ((segid A and resid 16 and name HA )) ((segid A and resid 22 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 54 and name HN )) ((segid A and resid 57 and name HN )) 5.82 4.02 0.00
assign ((segid A and resid 59 and name HN )) ((segid A and resid 61 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 61 and name HN )) 5.89 4.09 0.00
assign ((segid A and resid 9 and name HN )) ((segid A and resid 9 and name HD# )) 5.30 3.50 0.00
assign ((segid A and resid 7 and name HA )) ((segid A and resid 9 and name HN )) 3.73 1.93 0.00
assign ((segid A and resid 7 and name HB )) ((segid A and resid 9 and name HN )) 4.79 2.99 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 33 and name HD# )) 6.00 4.20 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 27 and name HN )) 3.81 2.01 0.00
assign ((segid A and resid 27 and name HN )) ((segid A and resid 28 and name HN )) 3.96 2.16 0.00
assign ((segid A and resid 26 and name HG1 )) ((segid A and resid 27 and name HN )) 5.13 3.33 0.00
assign ((segid A and resid 26 and name HG2 )) ((segid A and resid 27 and name HN )) 5.13 3.33 0.00
assign ((segid A and resid 27 and name HN )) ((segid A and resid 27 and name HG2# )) 3.91 2.11 0.00
assign ((segid A and resid 15 and name HN )) ((segid A and resid 16 and name HN )) 3.39 1.59 0.00
assign ((segid A and resid 29 and name HN )) ((segid A and resid 30 and name HN )) 3.64 1.84 0.00
assign ((segid A and resid 18 and name HG2# )) ((segid A and resid 30 and name HN )) 5.68 3.88 0.00
assign ((segid A and resid 28 and name HN )) ((segid A and resid 30 and name HN )) 5.61 3.81 0.00
assign ((segid A and resid 55 and name HN )) ((segid A and resid 58 and name HN )) 5.64 3.84 0.00
assign ((segid A and resid 58 and name HN )) ((segid A and resid 59 and name HN )) 3.73 1.93 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 66 and name HB )) 4.48 2.68 0.00
assign ((segid A and resid 58 and name HN )) ((segid A and resid 59 and name HB2 )) 4.80 3.00 0.00
assign ((segid A and resid 27 and name HG2# )) ((segid A and resid 30 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 56 and name HD1# )) ((segid A and resid 58 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 8 and name HA )) ((segid A and resid 12 and name HN )) 4.13 2.33 0.00
assign ((segid A and resid 11 and name HB )) ((segid A and resid 12 and name HN )) 3.02 1.22 0.00
assign ((segid A and resid 41 and name HN )) ((segid A and resid 43 and name HN )) 5.54 3.74 0.00
assign ((segid A and resid 42 and name HN )) ((segid A and resid 43 and name HN )) 3.93 2.13 0.00
assign ((segid A and resid 43 and name HN )) ((segid A and resid 44 and name HN )) 3.37 1.57 0.00
assign ((segid A and resid 41 and name HA )) ((segid A and resid 43 and name HN )) 4.56 2.76 0.00
assign ((segid A and resid 42 and name HB )) ((segid A and resid 43 and name HN )) 4.21 2.41 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 43 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 42 and name HG1# )) ((segid A and resid 43 and name HN )) 5.19 3.39 0.00
assign ((segid A and resid 31 and name HN )) ((segid A and resid 33 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 30 and name HE# )) ((segid A and resid 31 and name HN )) 5.73 3.93 0.00
assign ((segid A and resid 29 and name HB# )) ((segid A and resid 31 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 31 and name HN )) 4.01 2.21 0.00
assign ((segid A and resid 27 and name HG2# )) ((segid A and resid 31 and name HN )) 5.86 4.06 0.00
assign ((segid A and resid 10 and name HN )) ((segid A and resid 12 and name HN )) 5.63 3.83 0.00
assign ((segid A and resid 55 and name HN )) ((segid A and resid 57 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 55 and name HN )) ((segid A and resid 56 and name HN )) 3.65 1.85 0.00
assign ((segid A and resid 35 and name HN )) ((segid A and resid 36 and name HN )) 4.08 2.28 0.00
assign ((segid A and resid 18 and name HN )) ((segid A and resid 19 and name HN )) 3.54 1.74 0.00
assign ((segid A and resid 53 and name HA )) ((segid A and resid 56 and name HN )) 4.51 2.71 0.00
assign ((segid A and resid 52 and name HA )) ((segid A and resid 56 and name HN )) 5.38 3.58 0.00
assign ((segid A and resid 63 and name HN )) ((segid A and resid 64 and name HN )) 4.25 2.45 0.00
assign ((segid A and resid 64 and name HN )) ((segid A and resid 68 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 63 and name HE# )) ((segid A and resid 64 and name HN )) 4.38 2.58 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 64 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 12 and name HN )) 4.10 2.30 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 12 and name HN )) 3.79 1.99 0.00
assign ((segid A and resid 52 and name HA )) ((segid A and resid 55 and name HN )) 4.36 2.56 0.00
assign ((segid A and resid 13 and name HN )) ((segid A and resid 33 and name HE# )) 5.63 3.83 0.00
assign ((segid A and resid 51 and name HN )) ((segid A and resid 52 and name HN )) 4.13 2.33 0.00
assign ((segid A and resid 48 and name HA )) ((segid A and resid 51 and name HN )) 5.24 3.44 0.00
assign ((segid A and resid 51 and name HN )) ((segid A and resid 51 and name HG2# )) 3.87 2.07 0.00
assign ((segid A and resid 51 and name HN )) ((segid A and resid 51 and name HG1# )) 3.87 2.07 0.00
assign ((segid A and resid 51 and name HN )) ((segid A and resid 53 and name HN )) 5.25 3.45 0.00
assign ((segid A and resid 15 and name HN )) ((segid A and resid 18 and name HD1# )) 4.40 2.60 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 15 and name HN )) 4.24 2.44 0.00
assign ((segid A and resid 11 and name HA )) ((segid A and resid 15 and name HN )) 5.52 3.72 0.00
assign ((segid A and resid 17 and name HN )) ((segid A and resid 19 and name HN )) 4.01 2.21 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 13 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 13 and name HN )) ((segid A and resid 14 and name HN )) 4.08 2.28 0.00
assign ((segid A and resid 12 and name HN )) ((segid A and resid 13 and name HN )) 3.37 1.57 0.00
assign ((segid A and resid 13 and name HN )) ((segid A and resid 15 and name HN )) 5.01 3.21 0.00
assign ((segid A and resid 70 and name HB1 )) ((segid A and resid 71 and name HN )) 4.13 2.33 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 32 and name HN )) 4.48 2.68 0.00
assign ((segid A and resid 31 and name HN )) ((segid A and resid 32 and name HN )) 4.39 2.59 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 68 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 53 and name HN )) 4.08 2.28 0.00
assign ((segid A and resid 49 and name HA )) ((segid A and resid 53 and name HN )) 5.24 3.44 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 56 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 64 and name HA )) ((segid A and resid 68 and name HN )) 4.04 2.24 0.00
assign ((segid A and resid 67 and name HB2 )) ((segid A and resid 68 and name HN )) 4.15 2.35 0.00
assign ((segid A and resid 67 and name HG1 )) ((segid A and resid 68 and name HN )) 4.52 2.72 0.00
assign ((segid A and resid 66 and name HA )) ((segid A and resid 68 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 68 and name HN )) ((segid A and resid 70 and name HG1 )) 6.00 4.20 0.00
assign ((segid A and resid 68 and name HN )) ((segid A and resid 70 and name HG2 )) 6.00 4.20 0.00
assign ((segid A and resid 16 and name HN )) ((segid A and resid 20 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 18 and name HN )) ((segid A and resid 20 and name HN )) 5.93 4.13 0.00
assign ((segid A and resid 6 and name HN )) ((segid A and resid 7 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 21 and name HA )) ((segid A and resid 23 and name HN )) 4.54 2.74 0.00
assign ((segid A and resid 22 and name HA )) ((segid A and resid 23 and name HN )) 3.55 1.75 0.00
assign ((segid A and resid 22 and name HB1 )) ((segid A and resid 23 and name HN )) 4.16 2.36 0.00
assign ((segid A and resid 23 and name HN )) ((segid A and resid 24 and name HB2 )) 4.22 2.42 0.00
assign ((segid A and resid 4 and name HA )) ((segid A and resid 6 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 6 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 40 and name HN )) ((segid A and resid 42 and name HN )) 5.53 3.73 0.00
assign ((segid A and resid 40 and name HN )) ((segid A and resid 40 and name HG2# )) 3.99 2.19 0.00
assign ((segid A and resid 36 and name HN )) ((segid A and resid 38 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 36 and name HN )) ((segid A and resid 37 and name HN )) 3.70 1.90 0.00
assign ((segid A and resid 39 and name HN )) ((segid A and resid 40 and name HN )) 3.98 2.18 0.00
assign ((segid A and resid 39 and name HN )) ((segid A and resid 40 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 39 and name HN )) ((segid A and resid 41 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 39 and name HN )) ((segid A and resid 42 and name HB )) 5.60 3.80 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 42 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 42 and name HN )) ((segid A and resid 42 and name HG1# )) 4.09 2.29 0.00
assign ((segid A and resid 68 and name HN )) ((segid A and resid 69 and name HN )) 2.93 1.13 0.00
assign ((segid A and resid 68 and name HB1 )) ((segid A and resid 69 and name HN )) 3.52 1.72 0.00
assign ((segid A and resid 67 and name HG1 )) ((segid A and resid 69 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 18 and name HD1# )) ((segid A and resid 69 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 69 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 67 and name HN )) ((segid A and resid 69 and name HN )) 5.15 3.35 0.00
assign ((segid A and resid 8 and name HA )) ((segid A and resid 11 and name HN )) 4.27 2.47 0.00
assign ((segid A and resid 63 and name HD# )) ((segid A and resid 64 and name HN )) 4.23 2.43 0.00
assign ((segid A and resid 63 and name HN )) ((segid A and resid 63 and name HD# )) 4.56 2.76 0.00
assign ((segid A and resid 10 and name HZ )) ((segid A and resid 37 and name HG2# )) 4.31 2.51 0.00
assign ((segid A and resid 34 and name HN )) ((segid A and resid 34 and name HD# )) 4.87 3.07 0.00
assign ((segid A and resid 34 and name HD# )) ((segid A and resid 63 and name HA )) 4.43 2.63 0.00
assign ((segid A and resid 34 and name HA )) ((segid A and resid 34 and name HD# )) 4.44 2.64 0.00
assign ((segid A and resid 34 and name HD# )) ((segid A and resid 59 and name HD1# )) 6.00 4.20 0.00
assign ((segid A and resid 9 and name HD# )) ((segid A and resid 10 and name HE# )) 4.69 2.89 0.00
assign ((segid A and resid 4 and name HA )) ((segid A and resid 9 and name HD# )) 5.06 3.26 0.00
assign ((segid A and resid 4 and name HD2# )) ((segid A and resid 9 and name HD# )) 5.59 3.79 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 9 and name HD# )) 5.00 3.20 0.00
assign ((segid A and resid 9 and name HD# )) ((segid A and resid 10 and name HZ )) 6.00 4.20 0.00
assign ((segid A and resid 33 and name HD# )) ((segid A and resid 34 and name HN )) 4.36 2.56 0.00
assign ((segid A and resid 14 and name HG )) ((segid A and resid 33 and name HD# )) 6.00 4.20 0.00
assign ((segid A and resid 33 and name HD# )) ((segid A and resid 62 and name HB# )) 6.00 4.20 0.00
assign ((segid A and resid 10 and name HE# )) ((segid A and resid 10 and name HD# )) 3.15 1.35 0.00
assign ((segid A and resid 9 and name HE# )) ((segid A and resid 10 and name HD# )) 5.15 3.35 0.00
assign ((segid A and resid 10 and name HD# )) ((segid A and resid 33 and name HE# )) 5.32 3.52 0.00
assign ((segid A and resid 10 and name HD# )) ((segid A and resid 37 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 10 and name HD# )) ((segid A and resid 59 and name HB2 )) 6.00 4.20 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 9 and name HE# )) 5.26 3.46 0.00
assign ((segid A and resid 9 and name HE# )) ((segid A and resid 10 and name HE# )) 4.70 2.90 0.00
assign ((segid A and resid 4 and name HA )) ((segid A and resid 9 and name HE# )) 4.82 3.02 0.00
assign ((segid A and resid 33 and name HE# )) ((segid A and resid 59 and name HG )) 4.78 2.98 0.00
assign ((segid A and resid 14 and name HG )) ((segid A and resid 33 and name HE# )) 4.77 2.97 0.00
assign ((segid A and resid 33 and name HE# )) ((segid A and resid 34 and name HN )) 5.84 4.04 0.00
assign ((segid A and resid 63 and name HN )) ((segid A and resid 63 and name HE# )) 6.00 4.20 0.00
assign ((segid A and resid 63 and name HE# )) ((segid A and resid 63 and name HD# )) 2.93 1.13 0.00
assign ((segid A and resid 63 and name HE# )) ((segid A and resid 67 and name HG1 )) 3.95 2.15 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 60 and name HN )) 5.40 3.60 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 34 and name HD# )) 3.07 1.27 0.00
assign ((segid A and resid 34 and name HA )) ((segid A and resid 34 and name HE# )) 5.41 3.61 0.00
assign ((segid A and resid 2 and name HB# )) ((segid A and resid 3 and name HN )) 4.45 2.65 0.00
assign ((segid A and resid 3 and name HA )) ((segid A and resid 4 and name HB# )) 4.47 2.67 0.00
assign ((segid A and resid 3 and name HG# )) ((segid A and resid 4 and name HN )) 5.84 3.98 0.00
assign ((segid A and resid 3 and name HG# )) ((segid A and resid 4 and name HD# )) 5.79 3.99 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HB# )) 3.57 1.77 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HD# )) 4.50 2.70 0.00
assign ((segid A and resid 4 and name HA )) ((segid A and resid 4 and name HD# )) 3.68 1.88 0.00
assign ((segid A and resid 4 and name HB# )) ((segid A and resid 4 and name HD# )) 2.80 1.00 0.00
assign ((segid A and resid 4 and name HD# )) ((segid A and resid 9 and name HE# )) 4.06 2.26 0.00
assign ((segid A and resid 4 and name HD# )) ((segid A and resid 9 and name HD# )) 4.37 2.57 0.00
assign ((segid A and resid 4 and name HD# )) ((segid A and resid 10 and name HE# )) 4.15 2.35 0.00
assign ((segid A and resid 7 and name HN )) ((segid A and resid 7 and name HG# )) 4.20 2.40 0.00
assign ((segid A and resid 7 and name HG# )) ((segid A and resid 10 and name HN )) 5.69 3.89 0.00
assign ((segid A and resid 7 and name HG# )) ((segid A and resid 61 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 7 and name HG# )) ((segid A and resid 61 and name HG# )) 3.63 1.83 0.00
assign ((segid A and resid 7 and name HG# )) ((segid A and resid 62 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 8 and name HB# )) ((segid A and resid 9 and name HN )) 4.11 2.31 0.00
assign ((segid A and resid 8 and name HB# )) ((segid A and resid 11 and name HN )) 5.50 3.70 0.00
assign ((segid A and resid 8 and name HB# )) ((segid A and resid 11 and name HG2# )) 5.14 3.34 0.00
assign ((segid A and resid 10 and name HB# )) ((segid A and resid 37 and name HG# )) 5.18 3.38 0.00
assign ((segid A and resid 10 and name HB# )) ((segid A and resid 59 and name HD# )) 4.40 2.60 0.00
assign ((segid A and resid 10 and name HB# )) ((segid A and resid 62 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 10 and name HB# )) ((segid A and resid 62 and name HB# )) 4.94 3.14 0.00
assign ((segid A and resid 10 and name HE# )) ((segid A and resid 37 and name HG# )) 3.51 1.71 0.00
assign ((segid A and resid 10 and name HE# )) ((segid A and resid 59 and name HD# )) 3.82 2.02 0.00
assign ((segid A and resid 10 and name HD# )) ((segid A and resid 37 and name HG# )) 3.82 2.02 0.00
assign ((segid A and resid 10 and name HZ )) ((segid A and resid 37 and name HG# )) 3.15 1.35 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 11 and name HG1# )) 4.15 2.35 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 61 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 11 and name HB )) ((segid A and resid 61 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 12 and name HG# )) 4.76 2.96 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 14 and name HD# )) 3.52 1.72 0.00
assign ((segid A and resid 11 and name HG1# )) ((segid A and resid 13 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 11 and name HG1# )) ((segid A and resid 61 and name HG# )) 4.17 2.37 0.00
assign ((segid A and resid 11 and name HG1# )) ((segid A and resid 62 and name HN )) 3.89 2.09 0.00
assign ((segid A and resid 11 and name HG1# )) ((segid A and resid 62 and name HA )) 3.48 1.68 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 14 and name HD# )) 4.10 2.30 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 61 and name HB# )) 4.40 2.60 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 61 and name HG# )) 4.07 2.27 0.00
assign ((segid A and resid 12 and name HN )) ((segid A and resid 12 and name HB# )) 3.32 1.52 0.00
assign ((segid A and resid 12 and name HN )) ((segid A and resid 12 and name HG# )) 3.70 1.90 0.00
assign ((segid A and resid 12 and name HN )) ((segid A and resid 13 and name HB# )) 5.03 3.23 0.00
assign ((segid A and resid 12 and name HN )) ((segid A and resid 14 and name HD# )) 4.62 2.82 0.00
assign ((segid A and resid 12 and name HA )) ((segid A and resid 12 and name HG# )) 3.35 1.55 0.00
assign ((segid A and resid 12 and name HG# )) ((segid A and resid 13 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 13 and name HN )) ((segid A and resid 14 and name HD# )) 5.38 3.58 0.00
assign ((segid A and resid 13 and name HB# )) ((segid A and resid 15 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 13 and name HB# )) ((segid A and resid 33 and name HE# )) 4.45 2.65 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HB# )) 3.54 1.74 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HD# )) 3.38 1.58 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 33 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 14 and name HA )) ((segid A and resid 33 and name HB# )) 5.69 3.89 0.00
assign ((segid A and resid 14 and name HB# )) ((segid A and resid 18 and name HG2# )) 3.94 2.14 0.00
assign ((segid A and resid 14 and name HB# )) ((segid A and resid 18 and name HD1# )) 4.85 3.05 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 15 and name HN )) 3.80 2.00 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 17 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 29 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 29 and name HB# )) 5.92 4.12 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 30 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 30 and name HA )) 4.69 2.89 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 33 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 33 and name HB# )) 5.07 3.27 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 33 and name HE# )) 3.89 2.09 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 33 and name HD# )) 3.78 1.98 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 34 and name HN )) 5.87 4.07 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 59 and name HD# )) 4.52 2.72 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 61 and name HG# )) 5.73 3.93 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 62 and name HA )) 3.88 2.08 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 62 and name HB# )) 2.93 1.13 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 63 and name HN )) 5.44 3.64 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 63 and name HA )) 4.16 2.36 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 66 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 66 and name HB )) 3.94 2.14 0.00
assign ((segid A and resid 15 and name HN )) ((segid A and resid 15 and name HB# )) 3.39 1.59 0.00
assign ((segid A and resid 15 and name HB# )) ((segid A and resid 16 and name HN )) 3.15 1.35 0.00
assign ((segid A and resid 16 and name HA )) ((segid A and resid 16 and name HG# )) 3.17 1.37 0.00
assign ((segid A and resid 16 and name HG# )) ((segid A and resid 17 and name HA )) 4.44 2.64 0.00
assign ((segid A and resid 16 and name HG# )) ((segid A and resid 18 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 16 and name HG# )) ((segid A and resid 20 and name HN )) 4.50 2.70 0.00
assign ((segid A and resid 16 and name HG# )) ((segid A and resid 21 and name HN )) 4.45 2.65 0.00
assign ((segid A and resid 16 and name HG# )) ((segid A and resid 22 and name HN )) 4.06 2.26 0.00
assign ((segid A and resid 17 and name HA )) ((segid A and resid 20 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 17 and name HB# )) ((segid A and resid 18 and name HG2# )) 4.06 2.26 0.00
assign ((segid A and resid 17 and name HB# )) ((segid A and resid 19 and name HN )) 4.75 2.95 0.00
assign ((segid A and resid 18 and name HA )) ((segid A and resid 26 and name HB# )) 4.18 2.38 0.00
assign ((segid A and resid 18 and name HA )) ((segid A and resid 26 and name HG# )) 4.77 2.97 0.00
assign ((segid A and resid 18 and name HG2# )) ((segid A and resid 24 and name HG# )) 5.29 3.49 0.00
assign ((segid A and resid 18 and name HG2# )) ((segid A and resid 26 and name HG# )) 3.37 1.57 0.00
assign ((segid A and resid 18 and name HD1# )) ((segid A and resid 26 and name HG# )) 4.13 2.33 0.00
assign ((segid A and resid 18 and name HD1# )) ((segid A and resid 70 and name HG# )) 4.94 3.14 0.00
assign ((segid A and resid 19 and name HN )) ((segid A and resid 19 and name HG# )) 4.65 2.85 0.00
assign ((segid A and resid 19 and name HN )) ((segid A and resid 26 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 19 and name HA )) ((segid A and resid 19 and name HG# )) 3.55 1.75 0.00
assign ((segid A and resid 20 and name HN )) ((segid A and resid 21 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 20 and name HA )) ((segid A and resid 20 and name HG# )) 3.33 1.53 0.00
assign ((segid A and resid 20 and name HB# )) ((segid A and resid 21 and name HN )) 3.28 1.48 0.00
assign ((segid A and resid 20 and name HB# )) ((segid A and resid 22 and name HN )) 4.31 2.51 0.00
assign ((segid A and resid 21 and name HN )) ((segid A and resid 21 and name HB# )) 3.28 1.48 0.00
assign ((segid A and resid 21 and name HN )) ((segid A and resid 22 and name HB# )) 4.16 2.36 0.00
assign ((segid A and resid 21 and name HA )) ((segid A and resid 22 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 21 and name HB# )) ((segid A and resid 24 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 22 and name HN )) ((segid A and resid 22 and name HB# )) 3.34 1.54 0.00
assign ((segid A and resid 22 and name HN )) ((segid A and resid 22 and name HG# )) 4.88 3.08 0.00
assign ((segid A and resid 22 and name HA )) ((segid A and resid 22 and name HG# )) 3.32 1.52 0.00
assign ((segid A and resid 22 and name HB# )) ((segid A and resid 23 and name HN )) 3.59 1.79 0.00
assign ((segid A and resid 22 and name HG# )) ((segid A and resid 23 and name HN )) 4.37 2.57 0.00
assign ((segid A and resid 24 and name HN )) ((segid A and resid 24 and name HG# )) 4.41 2.61 0.00
assign ((segid A and resid 24 and name HA )) ((segid A and resid 24 and name HG# )) 3.57 1.77 0.00
assign ((segid A and resid 24 and name HG# )) ((segid A and resid 29 and name HN )) 4.36 2.56 0.00
assign ((segid A and resid 24 and name HG# )) ((segid A and resid 29 and name HB# )) 3.65 1.85 0.00
assign ((segid A and resid 24 and name HG# )) ((segid A and resid 32 and name HN )) 5.05 3.25 0.00
assign ((segid A and resid 24 and name HG# )) ((segid A and resid 33 and name HN )) 4.31 2.51 0.00
assign ((segid A and resid 25 and name HA )) ((segid A and resid 26 and name HB# )) 5.30 3.50 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 26 and name HB# )) 3.56 1.76 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 26 and name HG# )) 4.42 2.62 0.00
assign ((segid A and resid 26 and name HA )) ((segid A and resid 26 and name HG# )) 3.65 1.85 0.00
assign ((segid A and resid 26 and name HB# )) ((segid A and resid 27 and name HG1# )) 5.61 3.81 0.00
assign ((segid A and resid 26 and name HB# )) ((segid A and resid 29 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 26 and name HG# )) ((segid A and resid 27 and name HN )) 4.41 2.61 0.00
assign ((segid A and resid 26 and name HG# )) ((segid A and resid 29 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 27 and name HN )) ((segid A and resid 27 and name HG1# )) 5.81 4.01 0.00
assign ((segid A and resid 27 and name HA )) ((segid A and resid 66 and name HG# )) 5.34 3.54 0.00
assign ((segid A and resid 27 and name HA )) ((segid A and resid 67 and name HD# )) 4.95 3.15 0.00
assign ((segid A and resid 27 and name HG2# )) ((segid A and resid 27 and name HG1# )) 3.17 1.37 0.00
assign ((segid A and resid 27 and name HG2# )) ((segid A and resid 67 and name HD# )) 5.75 3.95 0.00
assign ((segid A and resid 27 and name HG1# )) ((segid A and resid 71 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 67 and name HD# )) 2.68 0.88 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 70 and name HB# )) 5.40 3.60 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 70 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 29 and name HN )) ((segid A and resid 66 and name HG# )) 4.13 2.33 0.00
assign ((segid A and resid 29 and name HB# )) ((segid A and resid 33 and name HB# )) 4.28 2.48 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 33 and name HB# )) 4.41 2.61 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 67 and name HD# )) 5.77 3.97 0.00
assign ((segid A and resid 30 and name HA )) ((segid A and resid 33 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 30 and name HA )) ((segid A and resid 66 and name HG# )) 4.12 2.32 0.00
assign ((segid A and resid 31 and name HN )) ((segid A and resid 33 and name HB# )) 5.03 3.23 0.00
assign ((segid A and resid 32 and name HN )) ((segid A and resid 33 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 33 and name HN )) ((segid A and resid 33 and name HB# )) 3.30 1.50 0.00
assign ((segid A and resid 33 and name HB# )) ((segid A and resid 34 and name HN )) 4.05 2.25 0.00
assign ((segid A and resid 33 and name HB# )) ((segid A and resid 35 and name HN )) 5.72 3.92 0.00
assign ((segid A and resid 33 and name HE# )) ((segid A and resid 37 and name HG# )) 3.92 2.12 0.00
assign ((segid A and resid 33 and name HE# )) ((segid A and resid 59 and name HD# )) 3.35 1.55 0.00
assign ((segid A and resid 33 and name HD# )) ((segid A and resid 37 and name HG# )) 4.43 2.63 0.00
assign ((segid A and resid 33 and name HD# )) ((segid A and resid 59 and name HD# )) 4.17 2.37 0.00
assign ((segid A and resid 34 and name HN )) ((segid A and resid 38 and name HG# )) 5.63 3.83 0.00
assign ((segid A and resid 34 and name HB# )) ((segid A and resid 38 and name HG# )) 5.38 3.58 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 37 and name HG# )) 5.11 3.31 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 38 and name HG# )) 4.34 2.54 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 60 and name HB# )) 5.34 3.54 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 63 and name HB# )) 4.23 2.43 0.00
assign ((segid A and resid 34 and name HD# )) ((segid A and resid 38 and name HG# )) 5.60 3.80 0.00
assign ((segid A and resid 34 and name HD# )) ((segid A and resid 59 and name HD# )) 5.13 3.33 0.00
assign ((segid A and resid 34 and name HD# )) ((segid A and resid 63 and name HB# )) 4.17 2.37 0.00
assign ((segid A and resid 35 and name HN )) ((segid A and resid 35 and name HB# )) 3.14 1.34 0.00
assign ((segid A and resid 36 and name HN )) ((segid A and resid 37 and name HG# )) 4.85 3.05 0.00
assign ((segid A and resid 37 and name HN )) ((segid A and resid 37 and name HG# )) 3.40 1.60 0.00
assign ((segid A and resid 37 and name HN )) ((segid A and resid 38 and name HG# )) 4.65 2.85 0.00
assign ((segid A and resid 37 and name HN )) ((segid A and resid 59 and name HD# )) 4.49 2.69 0.00
assign ((segid A and resid 37 and name HA )) ((segid A and resid 37 and name HG# )) 2.77 0.97 0.00
assign ((segid A and resid 37 and name HB )) ((segid A and resid 38 and name HG# )) 4.93 3.13 0.00
assign ((segid A and resid 37 and name HB )) ((segid A and resid 59 and name HD# )) 4.41 2.61 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 38 and name HN )) 3.19 1.39 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 38 and name HA )) 3.47 1.67 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 40 and name HB )) 5.24 3.44 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 40 and name HG2# )) 4.87 3.07 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 41 and name HN )) 3.85 2.05 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 41 and name HB# )) 3.95 2.15 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 41 and name HD# )) 2.99 1.19 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 42 and name HN )) 5.25 3.45 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 56 and name HA )) 5.51 3.71 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 59 and name HN )) 5.52 3.72 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 59 and name HD# )) 3.18 1.38 0.00
assign ((segid A and resid 38 and name HN )) ((segid A and resid 38 and name HG# )) 3.11 1.31 0.00
assign ((segid A and resid 38 and name HN )) ((segid A and resid 39 and name HB# )) 5.04 3.24 0.00
assign ((segid A and resid 38 and name HN )) ((segid A and resid 41 and name HD# )) 5.18 3.38 0.00
assign ((segid A and resid 38 and name HA )) ((segid A and resid 41 and name HD# )) 4.41 2.61 0.00
assign ((segid A and resid 38 and name HA )) ((segid A and resid 42 and name HG# )) 5.92 4.12 0.00
assign ((segid A and resid 38 and name HG# )) ((segid A and resid 39 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 38 and name HG# )) ((segid A and resid 59 and name HB2 )) 5.57 3.77 0.00
assign ((segid A and resid 38 and name HG# )) ((segid A and resid 59 and name HD# )) 3.42 1.62 0.00
assign ((segid A and resid 39 and name HN )) ((segid A and resid 39 and name HB# )) 3.32 1.52 0.00
assign ((segid A and resid 39 and name HN )) ((segid A and resid 42 and name HG# )) 5.92 4.12 0.00
assign ((segid A and resid 39 and name HA )) ((segid A and resid 42 and name HG# )) 5.92 4.12 0.00
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 40 and name HN )) 3.30 1.50 0.00
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 40 and name HG2# )) 5.81 4.01 0.00
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 41 and name HN )) 5.78 3.98 0.00
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 42 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 40 and name HN )) ((segid A and resid 41 and name HB# )) 5.33 3.53 0.00
assign ((segid A and resid 40 and name HN )) ((segid A and resid 41 and name HD# )) 5.35 3.55 0.00
assign ((segid A and resid 40 and name HN )) ((segid A and resid 42 and name HG# )) 5.56 3.76 0.00
assign ((segid A and resid 40 and name HN )) ((segid A and resid 43 and name HB# )) 5.84 4.04 0.00
assign ((segid A and resid 40 and name HB )) ((segid A and resid 41 and name HD# )) 5.92 4.12 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 41 and name HB# )) 4.60 2.80 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 41 and name HD# )) 5.10 3.30 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 43 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 43 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 41 and name HN )) ((segid A and resid 41 and name HB# )) 3.06 1.26 0.00
assign ((segid A and resid 41 and name HN )) ((segid A and resid 41 and name HD# )) 3.85 2.05 0.00
assign ((segid A and resid 41 and name HA )) ((segid A and resid 41 and name HD# )) 3.95 2.15 0.00
assign ((segid A and resid 41 and name HG )) ((segid A and resid 59 and name HD# )) 5.92 4.12 0.00
assign ((segid A and resid 41 and name HD# )) ((segid A and resid 42 and name HN )) 4.31 2.51 0.00
assign ((segid A and resid 41 and name HD# )) ((segid A and resid 52 and name HA )) 5.92 4.12 0.00
assign ((segid A and resid 41 and name HD# )) ((segid A and resid 55 and name HN )) 5.10 3.30 0.00
assign ((segid A and resid 41 and name HD# )) ((segid A and resid 55 and name HA )) 4.81 3.01 0.00
assign ((segid A and resid 41 and name HD# )) ((segid A and resid 56 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 42 and name HN )) ((segid A and resid 42 and name HG# )) 3.52 1.72 0.00
assign ((segid A and resid 42 and name HN )) ((segid A and resid 44 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 42 and name HA )) ((segid A and resid 42 and name HG# )) 3.12 1.32 0.00
assign ((segid A and resid 42 and name HA )) ((segid A and resid 52 and name HG# )) 4.50 2.70 0.00
assign ((segid A and resid 42 and name HB )) ((segid A and resid 52 and name HG# )) 5.92 4.12 0.00
assign ((segid A and resid 42 and name HG# )) ((segid A and resid 43 and name HN )) 3.96 2.16 0.00
assign ((segid A and resid 42 and name HG# )) ((segid A and resid 43 and name HB# )) 5.73 3.93 0.00
assign ((segid A and resid 42 and name HG# )) ((segid A and resid 43 and name HG# )) 5.73 3.93 0.00
assign ((segid A and resid 42 and name HG# )) ((segid A and resid 44 and name HN )) 4.47 2.67 0.00
assign ((segid A and resid 42 and name HG# )) ((segid A and resid 44 and name HB# )) 5.73 3.93 0.00
assign ((segid A and resid 42 and name HG# )) ((segid A and resid 52 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 42 and name HG# )) ((segid A and resid 56 and name HG1# )) 5.66 3.86 0.00
assign ((segid A and resid 43 and name HN )) ((segid A and resid 44 and name HB# )) 5.33 3.53 0.00
assign ((segid A and resid 43 and name HA )) ((segid A and resid 43 and name HG# )) 3.55 1.75 0.00
assign ((segid A and resid 44 and name HN )) ((segid A and resid 44 and name HB# )) 3.23 1.43 0.00
assign ((segid A and resid 44 and name HB# )) ((segid A and resid 46 and name HN )) 5.87 4.07 0.00
assign ((segid A and resid 45 and name HN )) ((segid A and resid 45 and name HG# )) 4.73 2.93 0.00
assign ((segid A and resid 45 and name HN )) ((segid A and resid 46 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 45 and name HA )) ((segid A and resid 45 and name HG# )) 3.71 1.91 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 46 and name HN )) 4.21 2.41 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 46 and name HA )) 4.40 2.60 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 46 and name HB# )) 5.61 3.81 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 46 and name HG )) 5.81 4.01 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 47 and name HN )) 3.73 1.93 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 48 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 51 and name HG# )) 4.15 2.35 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 52 and name HN )) 5.84 4.04 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 46 and name HB# )) 3.08 1.28 0.00
assign ((segid A and resid 46 and name HA )) ((segid A and resid 46 and name HD# )) 3.78 1.98 0.00
assign ((segid A and resid 46 and name HB# )) ((segid A and resid 47 and name HA )) 5.81 4.01 0.00
assign ((segid A and resid 46 and name HD# )) ((segid A and resid 48 and name HN )) 5.47 3.67 0.00
assign ((segid A and resid 47 and name HN )) ((segid A and resid 51 and name HG# )) 3.72 1.92 0.00
assign ((segid A and resid 47 and name HA )) ((segid A and resid 48 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 47 and name HA )) ((segid A and resid 51 and name HG# )) 4.87 3.07 0.00
assign ((segid A and resid 47 and name HB )) ((segid A and resid 51 and name HG# )) 4.45 2.65 0.00
assign ((segid A and resid 47 and name HB )) ((segid A and resid 52 and name HG# )) 5.52 3.72 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 48 and name HB# )) 3.72 1.92 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 51 and name HG# )) 2.41 0.61 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 48 and name HB# )) 3.41 1.61 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 48 and name HG# )) 4.08 2.28 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 51 and name HG# )) 4.66 2.86 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 52 and name HG# )) 4.73 2.93 0.00
assign ((segid A and resid 48 and name HB# )) ((segid A and resid 49 and name HN )) 3.64 1.84 0.00
assign ((segid A and resid 48 and name HB# )) ((segid A and resid 50 and name HN )) 3.96 2.16 0.00
assign ((segid A and resid 48 and name HB# )) ((segid A and resid 50 and name HB# )) 4.57 2.77 0.00
assign ((segid A and resid 48 and name HB# )) ((segid A and resid 51 and name HG# )) 3.02 1.22 0.00
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 49 and name HN )) 3.83 2.03 0.00
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 50 and name HN )) 4.76 2.96 0.00
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 50 and name HA )) 4.54 2.74 0.00
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 51 and name HN )) 4.24 2.44 0.00
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 51 and name HG# )) 3.37 1.57 0.00
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 52 and name HN )) 4.79 2.99 0.00
assign ((segid A and resid 48 and name HE# )) ((segid A and resid 49 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 48 and name HE# )) ((segid A and resid 49 and name HA )) 5.81 4.01 0.00
assign ((segid A and resid 48 and name HE# )) ((segid A and resid 50 and name HN )) 4.16 2.36 0.00
assign ((segid A and resid 48 and name HE# )) ((segid A and resid 50 and name HB# )) 4.62 2.82 0.00
assign ((segid A and resid 49 and name HN )) ((segid A and resid 49 and name HB# )) 3.53 1.73 0.00
assign ((segid A and resid 49 and name HA )) ((segid A and resid 52 and name HG# )) 5.15 3.35 0.00
assign ((segid A and resid 49 and name HA )) ((segid A and resid 53 and name HB# )) 4.67 2.87 0.00
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 50 and name HN )) 3.56 1.76 0.00
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 50 and name HB# )) 5.09 3.29 0.00
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 51 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 52 and name HG# )) 4.89 3.09 0.00
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 53 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 53 and name HD# )) 4.19 2.39 0.00
assign ((segid A and resid 50 and name HN )) ((segid A and resid 51 and name HG# )) 4.91 3.11 0.00
assign ((segid A and resid 50 and name HN )) ((segid A and resid 52 and name HG# )) 4.38 2.58 0.00
assign ((segid A and resid 50 and name HB# )) ((segid A and resid 51 and name HG# )) 3.62 1.82 0.00
assign ((segid A and resid 51 and name HN )) ((segid A and resid 51 and name HG# )) 3.21 1.41 0.00
assign ((segid A and resid 51 and name HN )) ((segid A and resid 52 and name HG# )) 4.77 2.97 0.00
assign ((segid A and resid 51 and name HA )) ((segid A and resid 51 and name HG# )) 2.78 0.98 0.00
assign ((segid A and resid 51 and name HA )) ((segid A and resid 54 and name HB# )) 4.85 3.05 0.00
assign ((segid A and resid 51 and name HB )) ((segid A and resid 52 and name HG# )) 4.56 2.76 0.00
assign ((segid A and resid 51 and name HG# )) ((segid A and resid 52 and name HN )) 3.46 1.66 0.00
assign ((segid A and resid 51 and name HG# )) ((segid A and resid 52 and name HA )) 5.92 4.12 0.00
assign ((segid A and resid 51 and name HG# )) ((segid A and resid 54 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 51 and name HG# )) ((segid A and resid 54 and name HG# )) 5.06 3.26 0.00
assign ((segid A and resid 51 and name HG# )) ((segid A and resid 54 and name HE# )) 5.92 4.12 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 52 and name HG# )) 3.63 1.83 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 53 and name HB# )) 5.14 3.34 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 54 and name HD# )) 5.60 3.80 0.00
assign ((segid A and resid 52 and name HA )) ((segid A and resid 52 and name HG# )) 3.02 1.22 0.00
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 53 and name HN )) 3.44 1.64 0.00
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 53 and name HA )) 3.63 1.83 0.00
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 53 and name HB# )) 3.96 2.16 0.00
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 54 and name HN )) 4.78 2.98 0.00
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 54 and name HD# )) 5.34 3.54 0.00
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 55 and name HN )) 4.81 3.01 0.00
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 56 and name HB )) 5.92 4.12 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 53 and name HB# )) 3.19 1.39 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 53 and name HD# )) 3.88 2.08 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 54 and name HD# )) 5.39 3.59 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 56 and name HG1# )) 4.64 2.84 0.00
assign ((segid A and resid 53 and name HA )) ((segid A and resid 53 and name HD# )) 3.45 1.65 0.00
assign ((segid A and resid 53 and name HB# )) ((segid A and resid 53 and name HD# )) 2.67 0.87 0.00
assign ((segid A and resid 53 and name HD# )) ((segid A and resid 54 and name HN )) 5.27 3.47 0.00
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assign ((segid A and resid 53 and name HD# )) ((segid A and resid 56 and name HB )) 4.14 2.34 0.00
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assign ((segid A and resid 53 and name HD# )) ((segid A and resid 57 and name HA )) 4.80 3.00 0.00
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assign ((segid A and resid 54 and name HN )) ((segid A and resid 56 and name HG1# )) 5.81 4.01 0.00
assign ((segid A and resid 54 and name HN )) ((segid A and resid 57 and name HG# )) 4.90 3.10 0.00
assign ((segid A and resid 54 and name HA )) ((segid A and resid 54 and name HG# )) 3.63 1.83 0.00
assign ((segid A and resid 54 and name HA )) ((segid A and resid 57 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 54 and name HB# )) ((segid A and resid 54 and name HE# )) 4.64 2.84 0.00
assign ((segid A and resid 54 and name HG# )) ((segid A and resid 54 and name HE# )) 2.95 1.15 0.00
assign ((segid A and resid 54 and name HG# )) ((segid A and resid 55 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 55 and name HN )) ((segid A and resid 57 and name HG# )) 5.31 3.51 0.00
assign ((segid A and resid 56 and name HA )) ((segid A and resid 59 and name HD# )) 5.92 4.12 0.00
assign ((segid A and resid 56 and name HG2# )) ((segid A and resid 57 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 56 and name HG2# )) ((segid A and resid 59 and name HD# )) 4.29 2.49 0.00
assign ((segid A and resid 56 and name HG1# )) ((segid A and resid 57 and name HN )) 4.04 2.24 0.00
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assign ((segid A and resid 59 and name HA )) ((segid A and resid 59 and name HD# )) 3.81 2.01 0.00
assign ((segid A and resid 59 and name HB2 )) ((segid A and resid 61 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 59 and name HD# )) ((segid A and resid 60 and name HN )) 4.82 3.02 0.00
assign ((segid A and resid 59 and name HD# )) ((segid A and resid 62 and name HB# )) 4.09 2.29 0.00
assign ((segid A and resid 60 and name HN )) ((segid A and resid 61 and name HB# )) 5.78 3.98 0.00
assign ((segid A and resid 60 and name HN )) ((segid A and resid 61 and name HG# )) 5.81 4.01 0.00
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assign ((segid A and resid 60 and name HB# )) ((segid A and resid 62 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 60 and name HB# )) ((segid A and resid 63 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 60 and name HB# )) ((segid A and resid 63 and name HE# )) 5.06 3.26 0.00
assign ((segid A and resid 60 and name HB# )) ((segid A and resid 63 and name HD# )) 5.18 3.38 0.00
assign ((segid A and resid 61 and name HN )) ((segid A and resid 61 and name HB# )) 3.41 1.61 0.00
assign ((segid A and resid 61 and name HN )) ((segid A and resid 61 and name HG# )) 3.49 1.69 0.00
assign ((segid A and resid 61 and name HA )) ((segid A and resid 61 and name HG# )) 3.56 1.76 0.00
assign ((segid A and resid 61 and name HB# )) ((segid A and resid 62 and name HN )) 4.03 2.23 0.00
assign ((segid A and resid 61 and name HG# )) ((segid A and resid 62 and name HN )) 4.10 2.30 0.00
assign ((segid A and resid 61 and name HG# )) ((segid A and resid 65 and name HB# )) 5.61 3.81 0.00
assign ((segid A and resid 62 and name HN )) ((segid A and resid 63 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 62 and name HN )) ((segid A and resid 65 and name HB# )) 5.32 3.52 0.00
assign ((segid A and resid 62 and name HA )) ((segid A and resid 65 and name HB# )) 5.41 3.61 0.00
assign ((segid A and resid 63 and name HN )) ((segid A and resid 64 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 63 and name HN )) ((segid A and resid 65 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 63 and name HB# )) ((segid A and resid 64 and name HN )) 3.57 1.77 0.00
assign ((segid A and resid 63 and name HE# )) ((segid A and resid 67 and name HD# )) 4.83 3.03 0.00
assign ((segid A and resid 65 and name HN )) ((segid A and resid 66 and name HG# )) 5.61 3.81 0.00
assign ((segid A and resid 66 and name HN )) ((segid A and resid 66 and name HG# )) 3.10 1.30 0.00
assign ((segid A and resid 66 and name HA )) ((segid A and resid 66 and name HG# )) 2.95 1.15 0.00
assign ((segid A and resid 66 and name HG# )) ((segid A and resid 67 and name HN )) 3.71 1.91 0.00
assign ((segid A and resid 66 and name HG# )) ((segid A and resid 67 and name HA )) 4.23 2.43 0.00
assign ((segid A and resid 66 and name HG# )) ((segid A and resid 69 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 66 and name HG# )) ((segid A and resid 70 and name HG# )) 3.12 1.32 0.00
assign ((segid A and resid 67 and name HN )) ((segid A and resid 70 and name HB# )) 5.49 3.69 0.00
assign ((segid A and resid 67 and name HN )) ((segid A and resid 70 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 67 and name HA )) ((segid A and resid 67 and name HD# )) 4.81 3.01 0.00
assign ((segid A and resid 67 and name HB2 )) ((segid A and resid 68 and name HD# )) 5.81 4.01 0.00
assign ((segid A and resid 67 and name HD# )) ((segid A and resid 70 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 68 and name HN )) ((segid A and resid 68 and name HG# )) 3.64 1.84 0.00
assign ((segid A and resid 68 and name HN )) ((segid A and resid 68 and name HD# )) 4.99 3.19 0.00
assign ((segid A and resid 68 and name HN )) ((segid A and resid 70 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 68 and name HA )) ((segid A and resid 68 and name HG# )) 3.03 1.23 0.00
assign ((segid A and resid 68 and name HA )) ((segid A and resid 68 and name HD# )) 5.43 3.63 0.00
assign ((segid A and resid 68 and name HB1 )) ((segid A and resid 68 and name HD# )) 3.39 1.59 0.00
assign ((segid A and resid 68 and name HB1 )) ((segid A and resid 69 and name HA# )) 4.46 2.66 0.00
assign ((segid A and resid 68 and name HG# )) ((segid A and resid 69 and name HN )) 4.68 2.88 0.00
assign ((segid A and resid 69 and name HN )) ((segid A and resid 69 and name HA# )) 2.58 0.78 0.00
assign ((segid A and resid 69 and name HN )) ((segid A and resid 70 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 69 and name HN )) ((segid A and resid 70 and name HG# )) 4.75 2.95 0.00
assign ((segid A and resid 69 and name HA# )) ((segid A and resid 70 and name HN )) 3.10 1.30 0.00
assign ((segid A and resid 69 and name HA# )) ((segid A and resid 70 and name HA )) 5.24 3.44 0.00
assign ((segid A and resid 70 and name HN )) ((segid A and resid 70 and name HB# )) 3.05 1.25 0.00
assign ((segid A and resid 70 and name HN )) ((segid A and resid 70 and name HG# )) 3.81 2.01 0.00
assign ((segid A and resid 70 and name HA )) ((segid A and resid 70 and name HG# )) 3.08 1.28 0.00
assign ((segid A and resid 71 and name HN )) ((segid A and resid 71 and name HB# )) 3.06 1.26 0.00
assign ((segid A and resid 71 and name HN )) ((segid A and resid 72 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 71 and name HA )) ((segid A and resid 72 and name HB# )) 4.87 3.07 0.00
assign ((segid A and resid 71 and name HB# )) ((segid A and resid 72 and name HN )) 3.89 2.09 0.00
assign ((segid A and resid 71 and name HB# )) ((segid A and resid 73 and name HN )) 5.61 3.81 0.00
assign ((segid A and resid 72 and name HN )) ((segid A and resid 72 and name HB# )) 3.48 1.68 0.00
assign ((segid A and resid 72 and name HN )) ((segid A and resid 72 and name HG# )) 4.16 2.36 0.00
assign ((segid A and resid 72 and name HA )) ((segid A and resid 72 and name HG# )) 3.61 1.81 0.00
assign ((segid A and resid 72 and name HA )) ((segid A and resid 72 and name HD# )) 5.81 4.01 0.00
assign ((segid A and resid 72 and name HB# )) ((segid A and resid 73 and name HN )) 3.90 2.10 0.00
assign ((segid A and resid 72 and name HB# )) ((segid A and resid 73 and name HD# )) 5.73 3.93 0.00
assign ((segid A and resid 73 and name HN )) ((segid A and resid 73 and name HB# )) 3.00 1.20 0.00
assign ((segid A and resid 73 and name HN )) ((segid A and resid 73 and name HD# )) 4.53 2.73 0.00
assign ((segid A and resid 73 and name HN )) ((segid A and resid 74 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 73 and name HA )) ((segid A and resid 73 and name HD# )) 3.48 1.68 0.00
assign ((segid A and resid 73 and name HA )) ((segid A and resid 74 and name HB# )) 5.34 3.54 0.00
assign ((segid A and resid 73 and name HB# )) ((segid A and resid 73 and name HD# )) 2.70 0.90 0.00
assign ((segid A and resid 73 and name HB# )) ((segid A and resid 74 and name HN )) 4.12 2.32 0.00
assign ((segid A and resid 73 and name HB# )) ((segid A and resid 74 and name HG# )) 5.10 3.30 0.00
assign ((segid A and resid 73 and name HD# )) ((segid A and resid 74 and name HN )) 4.67 2.87 0.00
assign ((segid A and resid 73 and name HD# )) ((segid A and resid 75 and name HN )) 5.80 4.00 0.00
assign ((segid A and resid 73 and name HD# )) ((segid A and resid 75 and name HB# )) 5.73 3.93 0.00
assign ((segid A and resid 74 and name HN )) ((segid A and resid 74 and name HB# )) 3.19 1.39 0.00
assign ((segid A and resid 74 and name HN )) ((segid A and resid 74 and name HG# )) 3.71 1.91 0.00
assign ((segid A and resid 74 and name HA )) ((segid A and resid 74 and name HG# )) 3.53 1.73 0.00
assign ((segid A and resid 74 and name HB# )) ((segid A and resid 75 and name HA )) 5.81 4.01 0.00
list of removed NOE constraints
21-> ILE A 56 HA - ILE A 56 HG2# 1.80 4.05 # NoRestrctn I [2.63 3.78] -- intra
22-> LEU A 46 HN - THR A 47 HA 1.80 5.53 # NoRestrctn S [2.00 3.99] -- sequential
29-> ASP A 25 HN - LYS A 26 HA 1.80 6.00 # NoRestrctn S [2.00 3.99] -- sequential
36-> ASP A 60 HN - GLU A 61 HA 1.80 5.50 # NoRestrctn S [2.00 3.99] -- sequential
127-> ALA A 62 HN - ALA A 62 HB# 1.80 4.09 # NoRestrctn I [2.66 3.68] -- intra
143-> ILE A 56 HN - ILE A 56 HG2# 1.80 6.00 # NoRestrctn I [2.04 4.91] -- intra
151-> ALA A 29 HN - ALA A 29 HB# 1.80 3.86 # NoRestrctn I [2.66 3.68] -- intra
161-> ILE A 18 HA - ILE A 18 HG2# 1.80 3.81 # NoRestrctn I [2.63 3.78] -- intra
162-> ILE A 18 HG2# - ILE A 18 HG1# 1.80 3.19 # Same atoms-diff bounds ( 156)
166-> ILE A 11 HA - ILE A 11 HG2# 1.80 4.13 # NoRestrctn I [2.63 3.78] -- intra
169-> ILE A 11 HA - ILE A 11 HD1# 1.80 6.00 # NoRestrctn I [2.11 5.99] -- intra
178-> ILE A 56 HA - ILE A 56 HD1# 1.80 6.00 # NoRestrctn I [2.11 5.99] -- intra
211-> LEU A 14 HN - LYS A 15 HA 1.80 5.96 # NoRestrctn S [2.00 3.99] -- sequential
246-> ASN A 49 HN - ALA A 50 HA 1.80 5.70 # NoRestrctn S [2.00 3.99] -- sequential
281-> VAL A 52 HN - LEU A 53 HA 1.80 6.00 # NoRestrctn S [2.00 3.99] -- sequential
317-> ALA A 50 HN - VAL A 51 HA 1.80 6.00 # NoRestrctn S [2.00 3.99] -- sequential
336-> ASN A 21 HN - GLN A 22 HA 1.80 4.48 # NoRestrctn S [2.00 3.99] -- sequential
352-> TYR A 63 HN - ASN A 64 HA 1.80 6.00 # NoRestrctn S [2.00 3.99] -- sequential
353-> GLU A 61 HN - ALA A 62 HA 1.80 6.00 # NoRestrctn S [2.00 3.99] -- sequential
436-> MET A 20 HN - ASN A 21 HA 1.80 6.00 # NoRestrctn S [2.00 3.99] -- sequential
442-> SER A 23 HN - GLU A 24 HA 1.80 5.60 # NoRestrctn S [2.00 3.99] -- sequential
461-> GLY A 69 HN - GLU A 70 HA 1.80 5.04 # NoRestrctn S [2.00 3.99] -- sequential
713-> GLN A 43 HA - GLN A 43 HB# 1.80 2.44 # FixedDistn I [0.00 0.00] -- intra
730-> LEU A 46 HB# - LEU A 46 HD# 1.80 2.44 # TooRestrct I [2.57 2.89] -- intra
748-> LYS A 48 HG# - LYS A 48 HE# 1.80 2.38 # TooRestrct I [2.52 3.73] -- intra
812-> LYS A 54 HD# - LYS A 54 HE# 1.80 2.05 # TooRestrct I [2.27 2.51] -- intra
857-> ARG A 68 HN - GLY A 69 HA# 1.80 4.33 # NoRestrctn S [2.00 3.55] -- sequential
871-> GLU A 70 HA - GLU A 70 HB# 1.80 2.60 # FixedDistn I [0.00 0.00] -- intra
====== TOTAL ======: 28
table of distance constraints violations
Residual Violations greater than 0.10
7-> VAL A 38 HA - LEU A 41 HG [ 1.80 4.15] 0.09 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.34 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.02 0.01 - 6 [ 0.01 .. 0.35]
8-> ILE A 11 HA - LEU A 14 HD2* [ 1.80 4.20] 0.22 0.22 0.20 0.20 0.36 0.31 0.09 0.24 0.20 0.20 0.15 0.18 0.19 0.09 0.10 0.18 0.19 0.20 0.20 0.07 - 20 [ 0.07 .. 0.36]
13-> PRO A 8 HA - ILE A 11 HG2* [ 1.80 4.48] 0.00 0.07 0.00 0.00 0.15 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.02 0.01 - 6 [ 0.01 .. 0.15]
17-> VAL A 37 HA - LEU A 41 HG [ 1.80 6.00] 0.64 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 - 3 [ 0.04 .. 1.02]
24-> ILE A 27 HA - ILE A 27 HD1* [ 1.80 3.32] 0.00 0.34 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.31 0.00 0.00 0.00 0.00 - 4 [ 0.31 .. 0.35]
40-> LYS A 67 HA - LYS A 67 HG3 [ 1.80 3.44] 0.31 0.00 0.00 0.23 0.00 0.21 0.00 0.00 0.31 0.00 0.25 0.26 0.42 0.00 0.09 0.35 0.31 0.35 0.35 0.32 - 13 [ 0.09 .. 0.42]
47-> ASN A 64 HA - LYS A 67 HN [ 1.80 3.84] 0.00 0.10 0.11 0.01 0.00 0.00 0.02 0.05 0.00 0.02 0.03 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 - 9 [ 0.00 .. 0.11]
53-> GLU A 74 HA - GLU A 74 HG2 [ 1.80 4.11] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 - 1 [ 0.12 .. 0.12]
54-> GLU A 3 HA - LEU A 4 HA [ 1.80 4.61] 0.22 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.04 0.02 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 - 5 [ 0.02 .. 0.22]
55-> LEU A 73 HA - LEU A 73 HG [ 1.80 3.51] 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 0.12 0.00 0.00 - 1 [ 0.12 .. 0.12]
57-> ASP A 25 HB2 - MET A 30 HN [ 1.80 5.83] 0.10 0.00 0.00 0.00 0.07 0.10 0.09 0.00 0.00 0.00 0.00 0.00 0.03 0.05 0.00 0.00 0.11 0.00 0.00 0.00 - 7 [ 0.03 .. 0.11]
67-> HIS A 17 HN - GLU A 24 HG2 [ 1.80 6.00] 0.60 0.11 0.00 0.06 0.05 0.05 0.00 0.13 0.40 0.12 0.06 0.07 0.06 0.78 0.14 0.07 0.00 0.02 0.08 0.09 - 17 [ 0.02 .. 0.78]
69-> GLN A 16 HG3 - ASN A 21 HN [ 1.80 5.17] 0.02 0.02 0.10 0.04 0.03 0.06 0.04 0.10 0.16 0.04 0.07 0.05 0.08 0.04 0.09 0.04 0.08 0.07 0.00 0.00 - 18 [ 0.02 .. 0.16]
78-> HIS A 17 HN - GLU A 24 HB3 [ 1.80 6.00] 0.36 0.00 0.00 0.00 0.00 0.00 0.44 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 - 2 [ 0.36 .. 0.44]
81-> LYS A 67 HN - ARG A 68 HB3 [ 1.80 6.00] 0.16 0.10 0.05 0.14 0.18 0.14 0.07 0.01 0.16 0.08 0.00 0.17 0.11 0.14 0.00 0.17 0.15 0.18 0.13 0.14 - 18 [ 0.01 .. 0.18]
82-> GLN A 22 HB2 - SER A 23 HN [ 1.80 4.16] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.37 0.00 0.00 0.00 - 2 [ 0.37 .. 0.37]
83-> LEU A 46 HG - LYS A 48 HN [ 1.80 6.00] 0.28 0.44 0.06 0.10 0.12 0.05 0.00 0.06 0.26 0.26 0.10 0.00 0.29 0.07 0.00 0.14 0.47 0.07 0.09 0.04 - 17 [ 0.04 .. 0.47]
85-> LEU A 73 HG - GLU A 74 HN [ 1.80 4.46] 0.43 0.09 0.00 0.07 0.00 0.22 0.42 0.00 0.03 0.22 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 - 9 [ 0.03 .. 0.43]
86-> LEU A 73 HN - LEU A 73 HG [ 1.80 4.49] 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.04 .. 0.36]
105-> LEU A 4 HD1* - PHE A 10 HD* [ 1.80 6.00] 0.01 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.10]
111-> THR A 47 HG2* - VAL A 52 HN [ 1.80 4.99] 0.39 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.15 0.29 0.00 0.00 - 6 [ 0.10 .. 0.39]
119-> PHE A 10 HZ - VAL A 37 HG1* [ 1.80 4.31] 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
123-> THR A 47 HN - VAL A 51 HG2* [ 1.80 4.92] 0.00 0.04 0.00 0.03 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.11 0.08 0.00 0.00 - 7 [ 0.00 .. 0.11]
134-> VAL A 37 HN - LEU A 59 HD1* [ 1.80 5.39] 0.21 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 - 1 [ 0.21 .. 0.21]
167-> ILE A 11 HG2* - ALA A 62 HB* [ 1.80 3.41] 0.11 0.29 0.24 0.18 0.45 0.31 0.18 0.32 0.37 0.30 0.20 0.20 0.36 0.10 0.15 0.29 0.10 0.27 0.41 0.19 - 20 [ 0.10 .. 0.45]
182-> ILE A 27 HD1* - SER A 71 HN [ 1.80 4.98] 0.82 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 0.05 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 0.82]
184-> ILE A 27 HD1* - TYR A 63 HE* [ 1.80 6.00] 0.00 0.11 0.04 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.13 0.00 0.00 0.08 0.00 0.08 - 7 [ 0.01 .. 0.13]
186-> ASN A 21 HA - GLU A 24 HB2 [ 1.80 6.00] 0.00 0.05 0.06 0.06 0.05 0.12 0.00 0.07 0.00 0.08 0.03 0.04 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 - 11 [ 0.00 .. 0.12]
187-> VAL A 7 HG2* - GLU A 61 HG3 [ 1.80 6.00] 0.00 0.26 0.08 0.07 0.04 0.13 0.13 0.12 0.00 0.00 0.00 0.02 0.02 0.02 0.03 0.02 0.00 0.03 0.07 0.04 - 15 [ 0.02 .. 0.26]
189-> LEU A 14 HD2* - ALA A 62 HB* [ 1.80 3.91] 0.07 0.06 0.10 0.09 0.10 0.06 0.00 0.09 0.02 0.11 0.06 0.10 0.07 0.00 0.03 0.07 0.01 0.05 0.09 0.04 - 18 [ 0.01 .. 0.11]
197-> HIS A 17 HN - MET A 20 HE* [ 1.80 6.00] 0.00 0.03 0.03 0.02 0.03 0.00 0.00 0.01 0.00 0.01 0.29 0.01 0.00 0.01 0.01 0.02 0.00 0.01 0.00 0.00 - 12 [ 0.01 .. 0.29]
202-> THR A 47 HN - LYS A 48 HN [ 1.80 5.37] 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 0.00 - 1 [ 0.19 .. 0.19]
203-> THR A 47 HA - LYS A 48 HN [ 1.80 3.28] 0.28 0.25 0.17 0.20 0.16 0.19 0.16 0.19 0.25 0.12 0.14 0.22 0.20 0.15 0.23 0.17 0.26 0.29 0.18 0.18 - 20 [ 0.12 .. 0.29]
206-> ASP A 25 HB3 - LYS A 26 HN [ 1.80 4.39] 0.05 0.00 0.10 0.00 0.00 0.00 0.00 0.10 0.00 0.11 0.10 0.08 0.00 0.04 0.14 0.00 0.00 0.11 0.00 0.00 - 9 [ 0.04 .. 0.14]
227-> ILE A 56 HD1* - LEU A 59 HN [ 1.80 6.00] 0.22 0.29 0.30 0.30 0.23 0.26 0.20 0.27 0.00 0.00 0.30 0.27 0.27 0.18 0.37 0.34 0.18 0.30 0.15 0.21 - 18 [ 0.15 .. 0.37]
229-> SER A 71 HA - LYS A 72 HN [ 1.80 3.07] 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.45]
231-> LYS A 72 HN - GLU A 74 HG2 [ 1.80 6.00] 0.04 0.27 0.03 0.00 0.03 0.00 0.08 0.02 0.00 0.00 0.04 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.02 .. 0.27]
262-> TYR A 33 HN - VAL A 37 HN [ 1.80 6.00] 0.08 0.34 0.65 0.19 0.50 0.24 0.88 0.70 0.21 0.75 0.16 0.15 0.36 0.19 0.30 0.19 0.10 0.13 0.66 0.19 - 20 [ 0.08 .. 0.88]
265-> SER A 23 HN - GLU A 24 HN [ 1.80 3.39] 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 0.12]
268-> LEU A 73 HA - GLU A 74 HN [ 1.80 3.22] 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.23 0.31 0.02 0.00 0.09 - 6 [ 0.02 .. 0.33]
278-> VAL A 66 HN - LYS A 67 HG3 [ 1.80 4.66] 0.30 0.00 0.04 0.21 2.35 0.32 0.10 0.00 0.29 0.00 0.23 0.24 0.49 2.39 0.00 0.52 0.37 0.53 0.40 0.41 - 16 [ 0.04 .. 2.39]
285-> ILE A 18 HN - ASP A 25 HN [ 1.80 6.00] 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.03 0.03 0.03 0.00 0.46 0.04 0.00 0.00 0.05 0.00 0.00 - 8 [ 0.03 .. 0.46]
292-> TYR A 33 HE* - VAL A 38 HN [ 1.80 6.00] 0.22 0.01 0.13 0.38 0.38 0.56 0.09 0.12 0.51 0.16 0.37 0.33 0.26 0.47 0.36 0.32 0.47 0.41 0.16 0.46 - 20 [ 0.01 .. 0.56]
293-> TYR A 33 HD* - VAL A 38 HN [ 1.80 6.00] 0.00 0.01 0.12 0.06 0.09 0.29 0.05 0.06 0.23 0.07 0.06 0.06 0.08 0.12 0.03 0.10 0.08 0.08 0.09 0.09 - 19 [ 0.01 .. 0.29]
294-> TYR A 34 HE* - VAL A 38 HN [ 1.80 6.00] 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.27 .. 0.27]
316-> ILE A 56 HD1* - GLN A 57 HN [ 1.80 4.52] 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.01 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 - 5 [ 0.01 .. 0.10]
319-> LEU A 46 HN - THR A 47 HN [ 1.80 3.23] 0.00 0.00 0.10 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 0.02 0.00 0.00 - 3 [ 0.01 .. 0.10]
328-> GLU A 74 HA - HIS A 75 HN [ 1.80 3.37] 0.11 0.00 0.00 0.00 0.00 0.00 0.19 0.03 0.00 0.00 0.10 0.11 0.00 0.00 0.08 0.00 0.17 0.00 0.00 0.00 - 7 [ 0.03 .. 0.19]
329-> ASP A 44 HN - GLN A 45 HN [ 1.80 4.68] 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 0.00 0.00 0.00 - 1 [ 0.19 .. 0.19]
334-> ASP A 25 HB2 - HIS A 28 HN [ 1.80 3.71] 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 - 2 [ 0.10 .. 0.15]
336-> ASN A 21 HN - GLN A 22 HA [ 1.80 4.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.48 0.00 0.42 - 4 [ 0.34 .. 0.48]
356-> GLN A 16 HA - GLN A 22 HN [ 1.80 6.00] 0.04 0.06 0.06 0.09 0.04 0.00 0.06 0.00 0.00 0.03 0.08 0.07 0.00 0.09 0.00 0.08 0.02 0.02 0.13 0.00 - 14 [ 0.02 .. 0.13]
361-> VAL A 7 HA - TYR A 9 HN [ 1.80 3.73] 0.33 0.22 0.06 0.07 0.08 0.32 0.27 0.17 0.05 0.26 0.38 0.23 0.04 0.03 0.12 0.14 0.00 0.07 0.11 0.09 - 19 [ 0.03 .. 0.38]
362-> VAL A 7 HB - TYR A 9 HN [ 1.80 4.79] 0.21 0.08 0.10 0.09 0.05 0.14 0.13 0.14 0.05 0.11 0.36 0.10 0.11 0.07 0.12 0.05 0.06 0.09 0.05 0.09 - 20 [ 0.05 .. 0.36]
363-> MET A 30 HN - TYR A 33 HD* [ 1.80 6.00] 0.17 0.35 0.18 0.18 0.23 0.32 0.42 0.27 0.22 0.18 0.15 0.12 0.22 0.27 0.15 0.13 0.32 0.12 0.25 0.13 - 20 [ 0.12 .. 0.42]
375-> MET A 30 HN - VAL A 66 HB [ 1.80 4.48] 0.62 0.13 0.23 0.12 0.12 0.43 0.29 0.19 0.37 0.09 0.12 0.13 0.11 0.14 0.25 0.13 0.49 0.30 0.26 0.10 - 20 [ 0.09 .. 0.62]
376-> HIS A 58 HN - LEU A 59 HB2 [ 1.80 4.80] 0.00 0.10 0.00 0.00 0.14 0.00 0.02 0.03 0.01 0.00 0.00 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.03 0.00 - 8 [ 0.01 .. 0.14]
378-> ILE A 56 HD1* - HIS A 58 HN [ 1.80 6.00] 0.35 0.16 0.32 0.27 0.31 0.21 0.32 0.31 0.00 0.00 0.33 0.32 0.27 0.22 0.28 0.41 0.27 0.26 0.23 0.34 - 18 [ 0.16 .. 0.41]
383-> GLN A 43 HN - ASP A 44 HN [ 1.80 3.37] 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.27 .. 0.27]
402-> TYR A 63 HE* - ASN A 64 HN [ 1.80 4.38] 0.16 0.35 0.21 0.31 0.35 0.22 0.00 0.29 0.14 0.28 0.36 0.31 0.18 0.25 0.00 0.17 0.21 0.28 0.21 0.00 - 17 [ 0.14 .. 0.36]
403-> ILE A 11 HD1* - ASN A 64 HN [ 1.80 6.00] 0.00 0.58 0.11 0.10 0.05 0.08 0.08 0.12 0.03 0.05 0.12 0.12 0.03 0.02 0.16 0.09 0.05 0.06 0.08 0.13 - 20 [ 0.00 .. 0.58]
432-> ARG A 68 HN - GLU A 70 HG3 [ 1.80 6.00] 0.05 0.02 0.12 0.12 0.05 0.00 0.00 0.12 0.63 0.12 0.43 0.09 0.33 0.06 0.32 0.00 0.47 0.10 0.27 0.06 - 17 [ 0.02 .. 0.63]
433-> ARG A 68 HN - GLU A 70 HG2 [ 1.80 6.00] 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
438-> ASN A 21 HA - SER A 23 HN [ 1.80 4.54] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
440-> GLN A 22 HB3 - SER A 23 HN [ 1.80 4.16] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.04 0.00 0.15 0.00 - 3 [ 0.04 .. 0.15]
441-> SER A 23 HN - GLU A 24 HB2 [ 1.80 4.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.33 0.00 0.15 0.00 - 3 [ 0.15 .. 0.44]
452-> SER A 39 HN - VAL A 42 HB [ 1.80 5.60] 0.00 0.00 0.00 0.05 0.00 0.11 0.04 0.00 0.00 0.13 0.02 0.00 0.06 0.00 0.03 0.00 0.04 0.04 0.00 0.00 - 9 [ 0.02 .. 0.13]
456-> ARG A 68 HB3 - GLY A 69 HN [ 1.80 3.52] 0.31 0.25 0.25 0.18 0.16 0.28 0.32 0.09 0.23 0.09 0.00 0.22 0.24 0.15 0.00 0.32 0.12 0.24 0.30 0.15 - 18 [ 0.09 .. 0.32]
457-> LYS A 67 HG3 - GLY A 69 HN [ 1.80 6.00] 0.37 0.06 0.09 0.46 0.00 0.37 0.00 0.10 0.55 0.07 0.49 0.48 0.50 0.00 0.16 0.44 0.70 0.56 0.50 0.57 - 17 [ 0.06 .. 0.70]
459-> ILE A 27 HD1* - GLY A 69 HN [ 1.80 6.00] 0.00 0.04 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.03 0.00 0.00 0.00 - 4 [ 0.01 .. 0.17]
461-> GLY A 69 HN - GLU A 70 HA [ 1.80 5.04] 0.00 0.00 0.03 0.06 0.00 0.03 0.00 0.01 0.00 0.03 0.00 0.06 0.05 0.00 0.14 0.02 0.05 0.04 0.05 0.03 - 14 [ 0.00 .. 0.14]
467-> TYR A 34 HD* - TYR A 63 HA [ 1.80 4.43] 1.13 0.00 0.03 0.02 0.05 0.05 0.19 0.04 0.05 0.02 0.00 0.01 0.11 0.00 0.04 0.02 0.00 0.02 0.11 0.00 - 15 [ 0.01 .. 1.13]
473-> LEU A 4 HN - TYR A 9 HD* [ 1.80 5.00] 0.12 0.38 0.00 0.06 0.05 0.00 0.00 0.16 0.11 0.63 0.15 0.04 0.07 0.00 0.62 0.00 0.00 0.00 0.03 0.00 - 13 [ 0.00 .. 0.63]
483-> LEU A 4 HN - TYR A 9 HE* [ 1.80 5.26] 0.08 0.38 0.00 0.03 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 - 6 [ 0.00 .. 0.38]
486-> TYR A 33 HE* - LEU A 59 HG [ 1.80 4.78] 0.08 0.22 0.07 0.01 0.08 0.14 0.19 0.14 0.00 0.08 0.04 0.02 0.10 0.02 0.14 0.02 0.02 0.12 0.00 0.01 - 20 [ 0.00 .. 0.22]
489-> TYR A 63 HN - TYR A 63 HE* [ 1.80 6.00] 0.04 0.11 0.04 0.08 0.11 0.05 0.00 0.08 0.00 0.09 0.10 0.09 0.06 0.00 0.00 0.04 0.06 0.06 0.05 0.00 - 15 [ 0.04 .. 0.11]
491-> TYR A 63 HE* - LYS A 67 HG3 [ 1.80 3.95] 0.00 0.00 0.00 0.00 0.24 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.24]
496-> GLU A 3 HA - LEU A 4 HB* [ 1.80 4.47] 0.11 0.00 0.00 0.20 0.30 0.00 0.00 0.00 0.00 0.25 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.03 .. 0.30]
498-> GLU A 3 HG* - LEU A 4 HD* [ 1.80 5.79] 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.19 0.00 0.00 - 3 [ 0.10 .. 0.34]
505-> LEU A 4 HD* - PHE A 10 HE* [ 1.80 4.15] 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
513-> PRO A 8 HB* - ILE A 11 HG2* [ 1.80 5.14] 0.00 0.10 0.00 0.00 0.03 0.11 0.06 0.05 0.01 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.01 .. 0.11]
521-> PHE A 10 HZ - VAL A 37 HG* [ 1.80 3.15] 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.07 0.08 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.05 - 5 [ 0.05 .. 0.11]
523-> ILE A 11 HN - GLU A 61 HG* [ 1.80 5.81] 0.11 0.04 0.02 0.01 0.00 0.03 0.13 0.04 0.03 0.04 0.05 0.06 0.00 0.13 0.08 0.03 0.01 0.01 0.02 0.11 - 18 [ 0.01 .. 0.13]
524-> ILE A 11 HB - GLU A 61 HG* [ 1.80 5.81] 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.14 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 .. 0.14]
531-> ILE A 11 HD1* - LEU A 14 HD* [ 1.80 4.10] 0.01 0.06 0.08 0.06 0.25 0.18 0.04 0.10 0.11 0.06 0.00 0.04 0.10 0.08 0.00 0.03 0.04 0.01 0.08 0.07 - 19 [ 0.00 .. 0.25]
537-> GLU A 12 HN - LEU A 14 HD* [ 1.80 4.62] 0.29 0.06 0.10 0.14 0.12 0.10 0.14 0.04 0.14 0.10 0.20 0.15 0.10 0.14 0.17 0.13 0.23 0.19 0.06 0.12 - 20 [ 0.04 .. 0.29]
549-> LEU A 14 HD* - LYS A 15 HN [ 1.80 3.80] 0.32 0.25 0.24 0.24 0.24 0.24 0.20 0.24 0.30 0.21 0.27 0.25 0.28 0.20 0.29 0.26 0.24 0.27 0.23 0.19 - 20 [ 0.19 .. 0.32]
574-> GLN A 16 HG* - ASN A 21 HN [ 1.80 4.45] 0.03 0.14 0.10 0.03 0.08 0.04 0.00 0.00 0.08 0.01 0.10 0.05 0.03 0.03 0.00 0.00 0.05 0.00 0.00 0.00 - 13 [ 0.01 .. 0.14]
579-> ILE A 18 HA - LYS A 26 HB* [ 1.80 4.18] 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]
581-> ILE A 18 HG2* - GLU A 24 HG* [ 1.80 5.29] 0.17 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.21]
582-> ILE A 18 HG2* - LYS A 26 HG* [ 1.80 3.37] 0.10 0.00 0.01 0.02 0.00 0.00 0.08 0.04 0.07 0.05 0.06 0.01 0.01 0.01 0.13 0.02 0.00 0.03 0.08 0.02 - 16 [ 0.01 .. 0.13]
583-> ILE A 18 HD1* - LYS A 26 HG* [ 1.80 4.13] 0.00 0.11 0.02 0.08 0.08 0.00 0.00 0.04 0.00 0.08 0.01 0.05 0.03 0.08 0.06 0.00 0.00 0.02 0.04 0.09 - 14 [ 0.01 .. 0.11]
590-> MET A 20 HB* - ASN A 21 HN [ 1.80 3.28] 0.13 0.00 0.01 0.10 0.07 0.10 0.00 0.07 0.12 0.08 0.01 0.05 0.08 0.06 0.06 0.00 0.08 0.00 0.09 0.00 - 15 [ 0.01 .. 0.13]
593-> ASN A 21 HN - GLN A 22 HB* [ 1.80 4.16] 0.01 0.00 0.00 0.05 0.00 0.00 0.19 0.00 0.04 0.00 0.05 0.00 0.09 0.00 0.00 0.11 0.10 0.07 0.13 0.21 - 12 [ 0.00 .. 0.21]
599-> GLN A 22 HB* - SER A 23 HN [ 1.80 3.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.28 0.00 0.11 0.00 - 3 [ 0.11 .. 0.28]
600-> GLN A 22 HG* - SER A 23 HN [ 1.80 4.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.45 0.00 0.49 0.00 - 3 [ 0.45 .. 0.49]
603-> GLU A 24 HG* - ALA A 29 HN [ 1.80 4.36] 0.90 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 - 5 [ 0.00 .. 0.92]
606-> GLU A 24 HG* - TYR A 33 HN [ 1.80 4.31] 0.00 0.12 0.05 0.00 0.08 0.00 0.11 0.00 0.02 0.00 0.08 0.01 0.08 0.00 0.07 0.10 0.05 0.11 0.10 0.00 - 13 [ 0.01 .. 0.12]
617-> ILE A 27 HA - LYS A 67 HD* [ 1.80 4.95] 0.00 0.00 0.00 0.00 0.22 0.00 0.90 0.31 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.24 - 6 [ 0.02 .. 0.90]
619-> ILE A 27 HG2* - LYS A 67 HD* [ 1.80 5.75] 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.23 .. 0.23]
620-> ILE A 27 HG1* - SER A 71 HN [ 1.80 5.81] 0.54 0.03 0.06 0.06 0.00 0.00 0.12 0.03 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.03 0.00 0.02 0.00 0.04 - 10 [ 0.02 .. 0.54]
621-> ILE A 27 HD1* - LYS A 67 HD* [ 1.80 2.68] 0.00 0.00 0.16 0.00 0.00 0.10 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 - 4 [ 0.10 .. 0.61]
624-> ALA A 29 HN - VAL A 66 HG* [ 1.80 4.13] 0.00 0.00 0.04 0.04 0.00 0.03 0.06 0.03 0.00 0.00 0.05 0.04 0.00 0.00 0.05 0.00 0.11 0.12 0.00 0.00 - 10 [ 0.03 .. 0.12]
626-> MET A 30 HN - TYR A 33 HB* [ 1.80 4.41] 0.02 0.03 0.00 0.00 0.07 0.07 0.12 0.02 0.03 0.01 0.00 0.00 0.04 0.00 0.00 0.00 0.04 0.00 0.00 0.00 - 10 [ 0.01 .. 0.12]
627-> MET A 30 HN - LYS A 67 HD* [ 1.80 5.77] 1.14 0.00 0.71 0.00 0.71 0.80 1.12 0.58 0.00 0.46 0.00 0.00 0.17 0.51 0.00 0.00 0.91 0.00 0.54 0.00 - 11 [ 0.17 .. 1.14]
641-> TYR A 34 HE* - VAL A 37 HG* [ 1.80 5.11] 0.00 0.00 0.13 0.14 0.15 0.14 0.15 0.14 0.08 0.16 0.07 0.14 0.24 0.16 0.07 0.20 0.10 0.14 0.15 0.05 - 18 [ 0.05 .. 0.24]
663-> VAL A 37 HG* - VAL A 42 HN [ 1.80 5.25] 0.00 0.19 0.29 0.25 0.00 0.15 0.07 0.24 0.05 0.04 0.20 0.15 0.10 0.10 0.07 0.12 0.10 0.07 0.12 0.00 - 17 [ 0.04 .. 0.29]
665-> VAL A 37 HG* - LEU A 59 HN [ 1.80 5.52] 0.11 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.11]
678-> SER A 39 HB* - THR A 40 HN [ 1.80 3.30] 0.00 0.00 0.00 0.16 0.00 0.14 0.00 0.15 0.00 0.11 0.17 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.11 .. 0.17]
683-> THR A 40 HN - LEU A 41 HD* [ 1.80 5.35] 0.12 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 - 4 [ 0.11 .. 0.17]
708-> VAL A 42 HG* - ASP A 44 HN [ 1.80 4.47] 0.00 0.00 0.01 0.33 0.00 0.02 0.00 0.08 0.07 0.02 0.00 0.00 0.00 0.07 0.00 0.06 0.00 0.00 0.00 0.00 - 8 [ 0.01 .. 0.33]
709-> VAL A 42 HG* - ASP A 44 HB* [ 1.80 5.73] 0.00 0.00 0.17 0.03 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.02 .. 0.17]
723-> GLN A 45 HG* - LEU A 46 HG [ 1.80 5.81] 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.18]
728-> LEU A 46 HN - LEU A 46 HB* [ 1.80 3.08] 0.00 0.15 0.00 0.04 0.03 0.05 0.00 0.09 0.11 0.07 0.12 0.36 0.06 0.00 0.00 0.10 0.00 0.32 0.00 0.09 - 13 [ 0.03 .. 0.36]
733-> THR A 47 HN - VAL A 51 HG* [ 1.80 3.72] 0.12 0.03 0.14 0.14 0.11 0.09 0.00 0.08 0.02 0.00 0.06 0.32 0.11 0.06 0.03 0.14 0.05 0.25 0.24 0.08 - 18 [ 0.02 .. 0.32]
735-> THR A 47 HA - VAL A 51 HG* [ 1.80 4.87] 0.00 0.00 0.08 0.04 0.05 0.04 0.11 0.04 0.00 0.08 0.09 0.05 0.05 0.07 0.00 0.06 0.00 0.00 0.07 0.06 - 14 [ 0.04 .. 0.11]
741-> LYS A 48 HN - LYS A 48 HG* [ 1.80 4.08] 0.14 0.12 0.07 0.09 0.09 0.10 0.08 0.07 0.13 0.09 0.07 0.08 0.13 0.08 0.09 0.09 0.11 0.11 0.06 0.06 - 20 [ 0.06 .. 0.14]
756-> LYS A 48 HE* - ASN A 49 HA [ 1.80 5.81] 0.05 0.06 0.02 0.12 0.08 0.15 0.08 0.09 0.07 0.11 0.02 0.10 0.20 0.13 0.06 0.07 0.04 0.12 0.11 0.12 - 20 [ 0.02 .. 0.20]
767-> ASN A 49 HB* - LEU A 53 HD* [ 1.80 4.19] 0.00 0.05 0.03 0.08 0.14 0.07 0.08 0.14 0.08 0.07 0.06 0.00 0.10 0.03 0.05 0.11 0.12 0.09 0.58 0.05 - 18 [ 0.03 .. 0.58]
783-> VAL A 52 HN - LYS A 54 HD* [ 1.80 5.60] 0.00 0.00 0.02 0.14 0.00 0.03 0.03 0.01 0.08 0.02 0.03 0.02 0.07 0.25 0.04 0.02 0.00 0.00 0.09 0.09 - 15 [ 0.01 .. 0.25]
789-> VAL A 52 HG* - LYS A 54 HD* [ 1.80 5.34] 0.21 0.40 0.43 0.49 0.39 0.43 0.42 0.41 0.44 0.43 0.42 0.42 0.44 0.56 0.43 0.40 0.37 0.41 0.46 0.47 - 20 [ 0.21 .. 0.56]
794-> LEU A 53 HN - LYS A 54 HD* [ 1.80 5.39] 0.29 0.29 0.27 0.25 0.23 0.36 0.25 0.26 0.28 0.30 0.29 0.24 0.25 0.29 0.26 0.29 0.25 0.25 0.28 0.30 - 20 [ 0.23 .. 0.36]
795-> LEU A 53 HN - ILE A 56 HG1* [ 1.80 4.64] 0.19 0.17 0.08 0.21 0.18 0.13 0.10 0.06 0.00 0.00 0.14 0.17 0.12 0.12 0.14 0.14 0.23 0.19 0.10 0.12 - 18 [ 0.06 .. 0.23]
802-> LEU A 53 HD* - GLN A 57 HA [ 1.80 4.80] 0.09 0.05 0.05 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.03 0.01 0.00 0.04 0.08 0.00 0.00 0.00 0.00 0.05 - 9 [ 0.01 .. 0.11]
813-> ARG A 55 HN - GLN A 57 HG* [ 1.80 5.31] 0.15 0.00 0.03 0.02 0.00 0.02 0.03 0.00 0.02 0.00 0.02 0.09 0.00 0.06 0.02 0.00 0.03 0.02 0.03 0.00 - 13 [ 0.02 .. 0.15]
820-> LEU A 59 HB2 - GLU A 61 HG* [ 1.80 5.81] 0.00 0.06 0.10 0.00 0.05 0.08 0.00 0.06 0.21 0.00 0.00 0.00 0.09 0.00 0.00 0.04 0.15 0.06 0.08 0.03 - 12 [ 0.03 .. 0.21]
828-> ASP A 60 HB* - TYR A 63 HE* [ 1.80 5.06] 0.05 0.00 0.00 0.04 0.28 0.04 0.00 0.05 0.02 0.05 0.04 0.05 0.00 0.01 0.00 0.02 0.08 0.02 0.03 0.00 - 14 [ 0.01 .. 0.28]
849-> VAL A 66 HG* - GLU A 70 HG* [ 1.80 3.12] 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.47]
853-> LYS A 67 HB2 - ARG A 68 HD* [ 1.80 5.81] 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.62 0.09 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.09 .. 0.62]
854-> LYS A 67 HD* - GLU A 70 HN [ 1.80 5.81] 0.44 0.78 0.56 0.00 0.00 0.44 0.98 0.44 0.30 0.44 0.02 0.18 0.29 0.00 0.53 0.23 0.40 0.51 0.45 0.04 - 17 [ 0.02 .. 0.98]
855-> ARG A 68 HN - ARG A 68 HG* [ 1.80 3.64] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.37 .. 0.37]
857-> ARG A 68 HN - GLY A 69 HA* [ 1.80 4.33] 0.01 0.12 0.09 0.02 0.09 0.03 0.15 0.14 0.00 0.16 0.02 0.00 0.02 0.17 0.04 0.00 0.02 0.00 0.00 0.09 - 15 [ 0.01 .. 0.17]
866-> GLY A 69 HN - GLU A 70 HG* [ 1.80 4.75] 0.19 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 - 1 [ 0.19 .. 0.19]
872-> GLU A 70 HA - GLU A 70 HG* [ 1.80 3.08] 0.00 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 0.27 0.00 0.00 0.00 0.00 - 2 [ 0.20 .. 0.27]
873-> SER A 71 HN - SER A 71 HB* [ 1.80 3.06] 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 - 3 [ 0.06 .. 0.22]
876-> SER A 71 HB* - LYS A 72 HN [ 1.80 3.89] 0.00 0.00 0.00 0.00 0.05 0.00 0.14 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.02 0.01 - 6 [ 0.01 .. 0.14]
882-> LYS A 72 HB* - LEU A 73 HN [ 1.80 3.90] 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 0.10 - 2 [ 0.10 .. 0.11]
884-> LEU A 73 HN - LEU A 73 HB* [ 1.80 3.00] 0.26 0.00 0.00 0.00 0.00 0.31 0.28 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.26 .. 0.31]
890-> LEU A 73 HB* - GLU A 74 HN [ 1.80 4.12] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
895-> GLU A 74 HN - GLU A 74 HB* [ 1.80 3.19] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.16 0.00 0.11 0.17 0.00 0.20 0.10 - 6 [ 0.09 .. 0.20]
-------------------------------------------
Number of Violations greater than 0.10 52 38 30 32 34 41 45 32 36 30 32 32 37 30 32 33 41 35 39 27
-------------------------------------------
---- 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: 20 17 17 17 14 18 23 18 13 15 16 16 13 16 16 17 16 16 19 15 16.60
0.2 - 0.5 ang: 24 19 10 15 17 21 16 12 20 13 16 16 24 9 14 15 23 16 16 10 16.30
> 0.5 ang: 8 2 3 0 3 2 6 2 3 2 0 0 0 5 2 1 2 3 4 2 2.50
Total : 103 95 95 90 87 95 97 90 79 88 89 94 96 86 92 87 93 97 88 89 91.50
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 1.137 0.776 0.714 0.485 2.353 0.805 1.115 0.698 0.631 0.753 0.491 0.485 0.499 2.389 0.620 0.517 0.907 0.560 0.658 1.023 2.389
Max Intra Viol : 0.310 0.335 0.068 0.228 0.114 0.310 0.347 0.087 0.339 0.197 0.371 0.361 0.419 0.157 0.373 0.351 0.307 0.354 0.352 0.318 0.419
Max Seque Viol : 0.434 0.353 0.274 0.311 2.353 0.355 0.425 0.293 0.302 0.297 0.364 0.306 0.490 2.389 0.342 0.517 0.451 0.535 0.492 0.422 2.389
Max Medium Viol : 0.636 0.776 0.647 0.485 0.497 0.473 0.980 0.698 0.631 0.753 0.491 0.485 0.499 0.556 0.528 0.438 0.703 0.560 0.658 1.023 1.023
Max Long Viol : 1.137 0.583 0.714 0.378 0.712 0.805 1.115 0.579 0.506 0.628 0.374 0.333 0.360 0.780 0.620 0.317 0.907 0.411 0.544 0.459 1.137
Average Violation : 0.021 0.013 0.011 0.010 0.015 0.015 0.018 0.011 0.012 0.011 0.012 0.010 0.014 0.014 0.012 0.012 0.015 0.013 0.014 0.011 0.01313
Avge Intra Viol : 0.005 0.005 0.002 0.003 0.002 0.005 0.004 0.002 0.005 0.003 0.007 0.005 0.006 0.002 0.005 0.007 0.005 0.006 0.005 0.004 0.00437
Avge Seque Viol : 0.023 0.020 0.019 0.017 0.018 0.023 0.022 0.019 0.019 0.016 0.020 0.016 0.019 0.013 0.017 0.016 0.021 0.018 0.021 0.018 0.01885
Avge Mediu Viol : 0.013 0.007 0.006 0.010 0.019 0.010 0.013 0.008 0.008 0.009 0.007 0.009 0.017 0.019 0.007 0.011 0.015 0.012 0.012 0.010 0.01113
Avge Long Viol : 0.048 0.021 0.017 0.010 0.019 0.021 0.038 0.017 0.016 0.016 0.012 0.011 0.011 0.019 0.018 0.011 0.020 0.014 0.015 0.011 0.01817
RMS Violation : 0.096 0.060 0.053 0.047 0.097 0.064 0.091 0.053 0.058 0.055 0.053 0.046 0.060 0.098 0.053 0.053 0.071 0.058 0.063 0.059 0.06638
RMS Intra : 0.031 0.029 0.010 0.020 0.013 0.032 0.033 0.011 0.035 0.019 0.043 0.033 0.038 0.014 0.037 0.041 0.031 0.036 0.031 0.026 0.02978
RMS Sequential : 0.080 0.080 0.074 0.065 0.067 0.076 0.102 0.074 0.077 0.072 0.075 0.063 0.071 0.053 0.066 0.062 0.083 0.070 0.087 0.088 0.07502
RMS Medium range : 0.056 0.040 0.034 0.045 0.152 0.046 0.053 0.037 0.041 0.041 0.040 0.041 0.073 0.155 0.038 0.058 0.063 0.061 0.055 0.049 0.06757
RMS Long range : 0.177 0.074 0.069 0.042 0.077 0.090 0.147 0.066 0.070 0.070 0.043 0.038 0.042 0.088 0.067 0.040 0.091 0.053 0.062 0.047 0.08035
Final --global-- Summary for 20 models, 898 NOEs/model, 17960 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 235.740
Summ sq. viol : 79.132
Maximum viol : 2.389
Average viol : 0.01313
RMSD viol : 0.06638
Std. Dev. viol : 0.06507
RMS Intra : 0.02978
RMS Seque : 0.07502
RMS Medi : 0.06757
RMS Long : 0.08035
table of dihedral angle constraints violations
1-> [VAL A 7] PHI -72.0 -36.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.6]
23-> [GLU A 19] PHI -76.0 -48.0 0.0 2.2 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.2]
56-> [VAL A 42] PSI -50.0 22.0 0.0 0.0 0.0 8.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 8.1]
69-> [ARG A 55] PHI -74.0 -54.0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.1]
80-> [ASP A 60] PSI -54.0 -30.0 1.7 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.7]
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 2 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0.30
> 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 : 3 1 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0.50
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 : 2.1 2.2 0.5 8.1 0.0 0.0 1.3 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.2 0.1 0.0 0.0 0.0 0.0 8.10
Max PHI Viol : 2.1 2.2 0.5 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 2.24
Max PSI Viol : 1.7 0.0 0.0 8.1 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 8.10
Average Violation : 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.010
Avge PHI Viol : 0.210 0.216 0.099 0.000 0.000 0.000 0.000 0.182 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.039 0.000 0.000 0.000 0.000 0.082
Avge PSI Viol : 0.234 0.000 0.000 0.411 0.000 0.000 0.165 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.065 0.000 0.000 0.000 0.000 0.000 0.113
RMS Violation : 0.292 0.229 0.048 0.827 0.000 0.000 0.134 0.162 0.000 0.000 0.000 0.000 0.000 0.000 0.020 0.008 0.000 0.000 0.000 0.000 0.208
RMS PHI Viol : 0.307 0.324 0.068 0.000 0.000 0.000 0.000 0.229 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.011 0.000 0.000 0.000 0.000 0.113
RMS PSI Viol : 0.277 0.000 0.000 1.169 0.000 0.000 0.189 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.029 0.000 0.000 0.000 0.000 0.000 0.272
Final --global-- Summary for 20 models, 96 ACOs/model, 1920 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 18.74
Summ. Sq. Viol. : 83.34
Max. Viol. : 8.100
Avg. Viol. : 0.00976
RMS Viol. : 0.20834
Std. Dev. Viol. : 0.20811
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 M 1 0.310 0.604 0.662 0.209
SER M 2 0.250 0.074 0.023
GLU M 3 0.364 0.732 0.609 0.786 0.928
LEU M 4 0.188 0.398 0.539 0.610
PHE M 5 0.615 0.750 0.463 0.662
SER M 6 0.585 0.873 0.499
VAL M 7 0.997 1.000 1.000 7 7
PRO M 8 0.999 0.995 1.000 1.000 8 8
TYR M 9 0.999 0.999 0.990 0.992 9 9
PHE M 10 0.997 0.999 0.992 0.647 10 10
ILE M 11 0.999 1.000 1.000 1.000 11 11
GLU M 12 1.000 0.999 0.999 0.563 0.933 12 12
ASN M 13 1.000 1.000 0.999 0.982 13 13
LEU M 14 1.000 1.000 0.998 0.999 14 14
LYS M 15 1.000 1.000 0.719 0.999 0.931 0.929 15 15
GLN M 16 1.000 1.000 0.999 0.997 0.879 16 16
HIS M 17 0.999 1.000 0.998 0.565 17 17
ILE M 18 1.000 0.999 1.000 1.000 18 18
GLU M 19 0.999 0.998 0.675 0.921 0.983 19 19
MET M 20 0.982 0.772 0.995 0.939 0.670
ASN M 21 0.670 0.978 0.917 0.761
GLN M 22 0.987 0.800 0.811 0.371 0.836
SER M 23 0.721 0.923 0.483
GLU M 24 0.961 0.972 0.907 0.909 0.871 24 24
ASP M 25 0.969 0.979 0.860 0.692 25 25
LYS M 26 0.989 0.997 0.739 0.995 0.695 0.589 26 26
ILE M 27 0.999 0.997 0.671 0.240 27 27
HIS M 28 0.997 0.993 0.949 0.923 28 28
ALA M 29 1.000 0.999 29 29
MET M 30 1.000 0.999 0.736 0.671 0.808 30 30
ASN M 31 0.999 0.999 0.999 0.995 31 31
SER M 32 0.998 0.999 0.402 32 32
TYR M 33 1.000 0.998 0.999 0.202 33 33
TYR M 34 0.999 0.999 0.944 0.459 34 34
ARG M 35 0.999 0.998 0.538 0.762 0.072 0.497 1.000 35 35
SER M 36 0.999 0.999 0.641 36 36
VAL M 37 1.000 0.997 0.939 37 37
VAL M 38 0.999 0.998 0.999 38 38
SER M 39 0.999 0.998 0.214 39 39
THR M 40 0.999 0.999 1.000 40 40
LEU M 41 0.998 0.999 0.779 0.841 41 41
VAL M 42 0.988 0.931 0.718 42 42
GLN M 43 0.909 0.935 0.811 0.536 0.638 43 43
ASP M 44 0.765 0.171 0.935 0.925
GLN M 45 0.203 0.436 0.617 0.647 0.708
LEU M 46 0.360 0.981 0.751 0.908
THR M 47 0.942 0.984 0.726 47 47
LYS M 48 1.000 0.999 0.998 1.000 1.000 1.000 48 48
ASN M 49 1.000 0.999 0.998 0.999 49 49
ALA M 50 1.000 0.999 50 50
VAL M 51 1.000 1.000 1.000 51 51
VAL M 52 1.000 0.999 0.995 52 52
LEU M 53 1.000 0.997 0.928 0.769 53 53
LYS M 54 0.999 1.000 1.000 1.000 1.000 1.000 54 54
ARG M 55 0.999 1.000 0.999 0.726 0.926 0.782 1.000 55 55
ILE M 56 1.000 1.000 1.000 0.830 56 56
GLN M 57 1.000 0.999 1.000 0.998 0.917 57 57
HIS M 58 1.000 1.000 1.000 0.907 58 58
LEU M 59 0.999 0.999 0.998 0.999 59 59
ASP M 60 1.000 0.998 0.998 0.973 60 60
GLU M 61 0.999 0.999 0.981 0.998 0.859 61 61
ALA M 62 1.000 0.999 62 62
TYR M 63 0.998 0.997 0.959 0.496 63 63
ASN M 64 1.000 1.000 0.944 0.931 64 64
LYS M 65 1.000 0.999 0.780 0.622 0.999 1.000 65 65
VAL M 66 0.999 0.996 1.000 66 66
LYS M 67 1.000 0.999 0.865 0.711 0.766 0.904 67 67
ARG M 68 0.994 0.997 0.891 0.997 0.810 0.995 1.000 68 68
GLY M 69 0.990 0.946 69 69
GLU M 70 0.875 0.472 0.833 0.817 0.830
SER M 71 0.369 0.606 0.386
LYS M 72 0.495 0.422 0.644 0.999 1.000 0.931
LEU M 73 0.370 0.531 0.401 0.569
GLU M 74 0.432 0.517 0.846 0.821 0.997
HIS M 75 0.170 0.437 0.467 0.558
HIS M 76 0.206 0.361 0.457 0.507
HIS M 77 0.797 0.232 0.342 0.251
HIS M 78 0.393 0.375 0.510 0.309
HIS M 79 0.590 0.365 0.546 0.388
HIS M 80 0.554 0.205 0.606 0.394
MET M 91 0.356 0.310 0.604 0.662 0.209
SER M 92 0.250 0.074 0.023
GLU M 93 0.364 0.732 0.608 0.786 0.928
LEU M 94 0.188 0.397 0.539 0.610
PHE M 95 0.615 0.751 0.463 0.662
SER M 96 0.585 0.873 0.499
VAL M 97 0.997 1.000 1.000 97 97
PRO M 98 0.999 0.995 1.000 1.000 98 98
TYR M 99 0.999 0.999 0.990 0.992 99 99
PHE M 100 0.997 0.999 0.992 0.647 100 100
ILE M 101 0.999 1.000 1.000 1.000 101 101
GLU M 102 1.000 0.999 0.999 0.563 0.933 102 102
ASN M 103 1.000 1.000 0.999 0.982 103 103
LEU M 104 1.000 1.000 0.998 0.999 104 104
LYS M 105 1.000 1.000 0.719 0.999 0.931 0.929 105 105
GLN M 106 1.000 1.000 0.999 0.997 0.879 106 106
HIS M 107 0.999 1.000 0.998 0.565 107 107
ILE M 108 1.000 0.999 1.000 1.000 108 108
GLU M 109 0.999 0.998 0.674 0.921 0.983 109 109
MET M 110 0.982 0.772 0.995 0.939 0.670
ASN M 111 0.669 0.978 0.917 0.761
GLN M 112 0.987 0.800 0.811 0.371 0.836
SER M 113 0.721 0.923 0.483
GLU M 114 0.961 0.972 0.907 0.909 0.871 114 114
ASP M 115 0.969 0.979 0.860 0.692 115 115
LYS M 116 0.989 0.997 0.740 0.995 0.695 0.589 116 116
ILE M 117 0.999 0.997 0.671 0.240 117 117
HIS M 118 0.997 0.993 0.949 0.923 118 118
ALA M 119 1.000 0.999 119 119
MET M 120 1.000 0.999 0.736 0.671 0.808 120 120
ASN M 121 0.999 0.999 0.999 0.995 121 121
SER M 122 0.998 0.999 0.402 122 122
TYR M 123 1.000 0.998 0.999 0.202 123 123
TYR M 124 0.999 0.999 0.944 0.459 124 124
ARG M 125 0.999 0.998 0.538 0.762 0.072 0.498 1.000 125 125
SER M 126 0.999 0.999 0.641 126 126
VAL M 127 1.000 0.997 0.939 127 127
VAL M 128 0.999 0.998 0.999 128 128
SER M 129 0.999 0.998 0.214 129 129
THR M 130 0.999 0.999 1.000 130 130
LEU M 131 0.998 0.999 0.779 0.841 131 131
VAL M 132 0.988 0.931 0.718 132 132
GLN M 133 0.908 0.935 0.811 0.536 0.638 133 133
ASP M 134 0.765 0.171 0.935 0.926
GLN M 135 0.203 0.436 0.616 0.647 0.708
LEU M 136 0.360 0.981 0.751 0.908
THR M 137 0.942 0.984 0.726 137 137
LYS M 138 1.000 0.999 0.998 1.000 1.000 1.000 138 138
ASN M 139 1.000 0.999 0.998 0.999 139 139
ALA M 140 1.000 0.999 140 140
VAL M 141 1.000 1.000 1.000 141 141
VAL M 142 1.000 0.999 0.995 142 142
LEU M 143 1.000 0.997 0.928 0.769 143 143
LYS M 144 0.999 1.000 1.000 1.000 1.000 1.000 144 144
ARG M 145 0.999 1.000 0.999 0.726 0.926 0.782 1.000 145 145
ILE M 146 1.000 1.000 1.000 0.830 146 146
GLN M 147 1.000 0.999 1.000 0.998 0.917 147 147
HIS M 148 1.000 1.000 1.000 0.907 148 148
LEU M 149 0.999 0.999 0.998 0.999 149 149
ASP M 150 1.000 0.998 0.998 0.973 150 150
GLU M 151 0.999 0.999 0.981 0.998 0.859 151 151
ALA M 152 1.000 0.999 152 152
TYR M 153 0.998 0.997 0.959 0.496 153 153
ASN M 154 1.000 0.999 0.944 0.931 154 154
LYS M 155 1.000 0.999 0.780 0.622 0.999 1.000 155 155
VAL M 156 0.999 0.996 1.000 156 156
LYS M 157 1.000 0.999 0.865 0.711 0.766 0.904 157 157
ARG M 158 0.994 0.997 0.891 0.997 0.810 0.995 1.000 158 158
GLY M 159 0.990 0.946 159 159
GLU M 160 0.875 0.472 0.833 0.817 0.830
SER M 161 0.369 0.606 0.386
LYS M 162 0.495 0.422 0.644 0.999 1.000 0.931
LEU M 163 0.370 0.531 0.401 0.569
GLU M 164 0.432 0.517 0.846 0.821 0.997
HIS M 165 0.170 0.437 0.467 0.558
HIS M 166 0.206 0.361 0.457 0.507
HIS M 167 0.797 0.233 0.342 0.252
HIS M 168 0.393 0.375 0.510 0.309
HIS M 169 0.590 0.365 0.546 0.389
HIS M 170 0.554 0.606 0.394
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 `SR478_R3Cons_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 1 is: 8.342
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 2 is: 2.793
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 3 is: 2.278
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 4 is: 1.925
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 5 is: 1.909
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 6 is: 4.801
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 7 is: 2.775
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 8 is: 2.159
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 9 is: 2.657
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 10 is: 5.478
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 11 is: 1.725
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 12 is: 1.805
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 13 is: 2.504
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 14 is: 2.962
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 15 is: 2.239
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 16 is: 2.562
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 17 is: 1.812
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 18 is: 2.781
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 19 is: 1.653 (*)
> Kabsch RMSD of backbone atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 20 is: 2.461
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[7..19],[24..43],[47..69],[97..109],[114..133],[137..159], is: 2.881
> Range of RMSD values to reference struct. is 1.653 to 8.342
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 1 is: 9.223
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 2 is: 2.990
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 3 is: 2.524
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 4 is: 2.209
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 5 is: 2.093
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 6 is: 5.069
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 7 is: 2.968
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 8 is: 2.376
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 9 is: 2.931
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 10 is: 5.762
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 11 is: 2.146
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 12 is: 2.129
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 13 is: 2.682
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 14 is: 3.166
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 15 is: 2.650
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 16 is: 2.808
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 17 is: 2.135
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 18 is: 3.051
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 19 is: 1.912 (*)
> Kabsch RMSD of heavy atoms in res. M[7..19],M[24..43],M[47..69],M[97..109],M[114..133],M[137..159],for model 20 is: 2.660
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[7..19],[24..43],[47..69],[97..109],[114..133],[137..159], is: 3.174
> Range of RMSD values to reference struct. is 1.912 to 9.223
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..170],for model 1 is: 12.017
> Kabsch RMSD of backb atoms in res. *[1..170],for model 2 is: 4.622
> Kabsch RMSD of backb atoms in res. *[1..170],for model 3 is: 4.325
> Kabsch RMSD of backb atoms in res. *[1..170],for model 4 is: 2.469 (*)
> Kabsch RMSD of backb atoms in res. *[1..170],for model 5 is: 4.827
> Kabsch RMSD of backb atoms in res. *[1..170],for model 6 is: 7.909
> Kabsch RMSD of backb atoms in res. *[1..170],for model 7 is: 4.665
> Kabsch RMSD of backb atoms in res. *[1..170],for model 8 is: 2.933
> Kabsch RMSD of backb atoms in res. *[1..170],for model 9 is: 3.518
> Kabsch RMSD of backb atoms in res. *[1..170],for model 10 is: 7.678
> Kabsch RMSD of backb atoms in res. *[1..170],for model 11 is: 3.826
> Kabsch RMSD of backb atoms in res. *[1..170],for model 12 is: 2.734
> Kabsch RMSD of backb atoms in res. *[1..170],for model 13 is: 3.039
> Kabsch RMSD of backb atoms in res. *[1..170],for model 14 is: 6.271
> Kabsch RMSD of backb atoms in res. *[1..170],for model 15 is: 3.767
> Kabsch RMSD of backb atoms in res. *[1..170],for model 16 is: 5.194
> Kabsch RMSD of backb atoms in res. *[1..170],for model 17 is: 3.247
> Kabsch RMSD of backb atoms in res. *[1..170],for model 18 is: 3.642
> Kabsch RMSD of backb atoms in res. *[1..170],for model 19 is: 2.605
> Kabsch RMSD of backb atoms in res. *[1..170],for model 20 is: 5.789
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..170], is: 4.754
> Range of RMSD values to reference struct. is 2.469 to 12.017
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 1 is: 12.922
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 2 is: 5.090
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 3 is: 4.895
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 4 is: 2.979 (*)
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 5 is: 5.538
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 6 is: 8.569
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 7 is: 5.191
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 8 is: 3.554
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 9 is: 4.120
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 10 is: 8.057
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 11 is: 4.639
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 12 is: 3.232
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 13 is: 3.664
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 14 is: 6.857
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 15 is: 4.253
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 16 is: 5.981
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 17 is: 3.813
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 18 is: 4.142
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 19 is: 3.200
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 20 is: 6.526
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..170], is: 5.361
> Range of RMSD values to reference struct. is 2.979 to 12.922
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 4.8 2.9 3.4
All heavy atoms 5.4 3.2 3.8
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 >>>----------+
| |
| SR478_R3Cons_em_bcr3_020.rin 0.0 2240 residues |
| |
+| Ramachandran plot: 90.9% core 6.9% allow 2.2% gener 0.0% disall |
| |
*| All Ramachandrans: 102 labelled residues (out of2240) |
+| Chi1-chi2 plots: 12 labelled residues (out of1560) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
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
7 0.83
8 0.08
9 1.12
10 1.11
11 0.88
12 1.04
13 1.39
14 0.88
15 1.06
16 1.21
17 1.22
18 0.70
19 0.63
20 -2.47
24 -3.16
25 -1.65
26 -3.29
27 0.27
28 0.17
29 0.80
30 1.06
31 1.22
32 0.29
33 1.02
34 1.15
35 1.01
36 0.95
37 0.80
38 0.89
39 1.02
40 1.02
41 1.05
42 -1.34
47 0.15
48 -1.66
49 1.25
50 0.96
51 0.98
52 1.01
53 0.95
54 1.20
55 1.07
56 1.00
57 1.03
58 0.93
59 0.62
60 1.08
61 0.94
62 0.95
63 1.10
64 1.32
65 1.19
66 0.62
67 1.01
68 0.38
69 -0.35
97 0.83
98 0.08
99 1.12
100 1.11
101 0.86
102 1.04
103 1.39
104 0.88
105 1.06
106 1.21
107 1.22
108 0.70
109 0.63
112 -0.54
113 -3.08
114 -3.16
115 -1.65
116 -3.29
117 0.27
118 0.17
119 0.80
120 1.06
121 1.22
122 0.29
123 1.02
124 1.15
125 1.01
126 0.95
127 0.80
128 0.89
129 1.03
130 1.02
131 1.04
132 -1.29
137 0.15
138 -1.64
139 1.25
140 0.96
141 0.98
142 1.01
143 0.95
144 1.20
145 1.07
146 1.00
147 1.03
148 0.93
149 0.65
150 1.08
151 0.93
152 0.95
153 1.10
154 1.32
155 1.19
156 0.62
157 1.01
158 0.36
#Reported_Model_Average 0.541
#Overall_Average_Reported 0.541
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
7 0.79
8 0.08
9 0.65
10 0.11
11 0.89
12 0.79
13 1.19
14 0.78
15 1.08
16 0.89
17 0.85
18 0.23
19 0.84
20 -0.89
24 -2.09
25 -1.09
26 -1.22
27 -0.26
28 0.52
29 0.80
30 0.45
31 1.16
32 0.34
33 0.49
34 0.47
35 0.52
36 0.58
37 0.57
38 0.82
39 0.63
40 0.64
41 0.76
42 -0.64
47 -0.22
48 -0.53
49 1.21
50 0.96
51 0.62
52 0.23
53 0.44
54 1.14
55 0.96
56 0.90
57 1.07
58 0.56
59 0.42
60 1.02
61 0.04
62 0.95
63 -0.65
64 1.16
65 0.64
66 0.66
67 0.25
68 0.60
69 -0.35
97 0.79
98 0.08
99 0.65
100 0.12
101 0.89
102 0.79
103 1.19
104 0.79
105 1.09
106 0.89
107 0.85
108 0.23
109 0.83
112 -0.25
113 -1.59
114 -2.09
115 -1.09
116 -1.22
117 -0.26
118 0.52
119 0.80
120 0.45
121 1.16
122 0.36
123 0.49
124 0.47
125 0.51
126 0.62
127 0.58
128 0.81
129 0.65
130 0.68
131 0.76
132 -0.63
137 -0.19
138 -0.51
139 1.21
140 0.96
141 0.62
142 0.21
143 0.44
144 1.14
145 0.96
146 0.90
147 1.07
148 0.56
149 0.43
150 1.01
151 0.04
152 0.95
153 -0.65
154 1.16
155 0.64
156 0.65
157 0.25
158 0.59
#Reported_Model_Average 0.421
#Overall_Average_Reported 0.421
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
7 0.66 -0.40 -0.09 -0.09 -0.74 0.66 -0.09 -0.09 -0.74 -0.09 0.66 0.66 -0.09 -0.09 -0.09 -0.40 -0.09 -0.09 -0.09 -0.09
8 0.44 0.25 0.25 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.44 0.25
9 -0.43 -0.43 1.25 -0.43 1.25 -0.43 1.25 1.25 1.25 -0.43 1.25 1.25 1.25 1.25 1.25 1.25 -0.43 1.25 -0.43 1.25
10 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
11 0.93 -0.28 0.81 0.93 -0.28 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.93 0.81 -0.28 0.81
12 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
13 -0.26 -0.26 0.51 0.51 -0.26 -0.26 -0.26 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 -0.26 0.51
14 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
15 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
16 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
17 0.54 1.04 0.54 0.54 1.04 1.04 1.04 0.54 1.04 1.04 1.04 1.04 1.04 0.54 1.04 1.04 1.04 1.04 1.04 1.04
18 0.81 -0.54 -0.54 -0.54 -0.54 0.81 -0.54 -0.54 0.81 -0.54 0.81 -0.54 -0.54 -0.54 -0.54 0.81 0.81 -0.54 -0.54 -0.54
19 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28
20 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83
24 0.28 0.28 -0.46 -0.46 -0.46 -0.59 -0.46 -0.46 -0.46 -0.59 0.28 0.28 -0.46 -0.46 0.28 -0.46 -0.46 0.28 -0.46 -0.46
25 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
26 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
27 -0.28 -0.94 -0.28 -0.94 -0.94 -0.94 0.81 -0.28 -0.54 0.81 -0.28 -0.94 -0.28 -0.54 -0.28 -0.54 -0.94 -0.94 0.81 -0.54
28 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
29 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
30 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91
31 0.41 0.51 -0.26 0.51 0.51 0.51 0.09 0.51 0.09 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.09 0.51 0.51
32 0.34 0.17 0.17 0.17 0.17 0.34 0.59 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
33 1.14 0.52 1.14 1.14 1.14 1.14 0.52 1.14 1.14 0.52 1.14 1.14 1.14 0.52 1.14 1.14 1.14 1.14 1.14 1.14
34 1.14 0.52 0.52 1.14 0.52 1.25 0.52 0.52 1.14 1.14 1.14 1.14 0.52 1.14 1.14 1.14 1.14 0.52 1.14 0.52
35 -0.41 0.24 -0.44 0.71 0.71 0.24 -0.44 0.71 0.71 0.71 0.24 0.24 0.71 -0.44 0.24 0.71 0.71 -0.44 0.71 -0.44
36 0.34 0.17 0.34 0.17 0.34 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.59 0.17 0.34 0.34 0.34 0.34 0.34
37 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
38 -0.09 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
39 0.34 0.59 0.17 0.59 0.17 0.59 0.17 0.17 0.17 0.59 0.59 0.59 0.17 0.59 0.59 0.17 0.17 0.17 0.17 0.17
40 0.08 0.55 0.55 0.08 0.55 0.55 0.08 0.08 0.08 0.55 0.08 0.55 0.55 0.55 0.55 0.08 0.55 0.08 0.55 0.08
41 1.06 1.06 0.77 1.06 1.06 1.06 0.77 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 0.77
42 1.00 0.66 0.66 1.00 0.66 1.00 -0.09 0.66 1.00 1.00 1.00 1.00 0.66 1.00 1.00 0.66 -0.40 0.66 0.66 0.66
47 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
48 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47
49 -0.26 0.51 0.51 0.51 -0.26 0.51 -0.26 -0.26 -0.26 0.51 0.51 0.51 -0.26 -0.26 0.51 0.51 -0.26 -0.26 -0.26 -0.26
50 0.49 0.49 0.49 -0.25 0.49 0.14 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49
51 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.74 -0.09 -0.09 -0.09 -0.74 -0.09 -0.09
52 -0.40 0.66 1.00 1.00 0.66 1.00 0.66 1.00 1.00 0.66 0.66 -0.40 0.66 1.00 0.66 0.66 0.66 -0.40 0.66 1.00
53 1.06 0.77 1.06 0.77 1.06 0.77 1.06 1.06 0.77 0.77 0.77 0.77 1.06 0.77 0.77 1.06 1.06 1.06 1.06 1.06
54 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
55 0.24 0.71 0.71 -0.44 0.71 0.71 0.71 0.71 -0.44 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 0.71 -0.44 0.71 -0.44
56 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
57 -0.57 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.57 0.25 -0.57 0.25 0.25 0.25 0.25
58 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 1.04 0.20 0.20 0.20 0.20 -1.21 0.20 0.20 0.20 0.20 0.20 0.20
59 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
60 0.34 0.51 0.34 0.51 0.34 0.51 0.51 0.34 0.34 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.34 0.51 0.34 0.34
61 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
62 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
63 1.25 1.25 1.25 1.25 1.14 -0.43 1.25 1.25 1.25 1.25 -1.40 -0.43 1.25 1.14 1.25 1.25 1.25 1.25 1.25 1.25
64 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
65 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
66 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
67 0.47 0.08 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.08 0.08 0.47 0.47 0.08 0.08 0.47 0.47 0.47 0.47 0.47
68 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41
69 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
97 0.66 -0.40 -0.40 -0.09 -0.74 0.66 -0.09 -0.09 -0.74 -0.09 0.66 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
98 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25
99 -0.43 -0.43 1.25 -0.43 -0.43 -0.43 1.25 1.25 1.25 -0.43 1.25 1.25 1.25 1.25 1.25 1.25 -0.43 1.25 -0.43 1.25
100 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
101 0.93 -0.28 -0.28 0.81 -0.28 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.81 -0.28 0.81
102 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
103 -0.26 -0.26 -0.26 0.51 -0.26 -0.26 -0.26 -0.26 0.51 -0.26 -0.26 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51
104 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
105 0.08 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
106 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
107 1.04 1.04 1.04 0.54 1.04 1.04 1.04 1.04 1.04 0.54 1.04 1.04 1.04 1.04 1.04 1.04 0.54 1.04 1.04 1.04
108 0.81 -0.54 -0.54 -0.54 -0.28 0.81 -0.28 -0.54 0.81 -0.54 0.81 -0.54 -0.54 -0.54 -0.54 0.81 0.81 -0.54 -0.54 -0.54
109 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28
112 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
113 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
114 0.28 -0.46 0.28 0.28 -0.46 -0.59 -0.46 0.28 -0.46 -0.46 0.28 0.28 -0.46 -0.46 0.28 0.28 -0.46 0.28 0.28 -0.46
115 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
116 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
117 -0.28 -0.94 -0.28 -0.94 -0.94 -0.94 -0.54 -0.28 -0.54 0.81 -0.28 -0.94 -0.28 -0.54 -0.28 -0.94 -0.94 -0.94 0.81 -0.54
118 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 1.04 0.20 0.20 0.20
119 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
120 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91
121 0.41 0.51 -0.26 0.51 0.51 0.51 0.09 0.51 0.09 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.09 0.51 0.51
122 0.17 0.17 0.17 0.17 0.17 0.34 0.59 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
123 1.14 0.52 1.14 1.14 1.14 0.52 0.52 1.14 1.14 0.52 1.14 1.14 0.52 0.52 1.14 1.14 1.14 1.14 1.14 1.14
124 1.14 0.52 0.52 1.14 0.52 1.14 0.52 0.52 1.14 1.14 1.14 1.14 0.52 0.52 1.14 0.52 0.52 0.52 0.52 0.52
125 -0.41 0.24 0.71 0.24 0.71 0.24 -0.44 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 0.24 0.71 0.71 0.71 0.71 0.71
126 0.34 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.59 0.17 0.34 0.17 0.34 0.34 0.34
127 -0.09 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -0.09
128 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
129 0.34 0.59 0.17 0.59 0.17 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.17 0.59 0.59 0.17 0.17 0.17 0.17 0.17
130 0.08 0.55 0.55 0.08 0.55 0.55 0.08 0.08 0.08 0.55 0.08 0.55 0.55 0.55 0.08 0.08 0.55 0.55 0.55 0.08
131 1.06 1.06 0.77 1.06 1.06 1.06 0.77 0.77 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 0.77
132 1.00 0.66 0.66 1.00 0.66 1.00 -0.09 0.66 1.00 1.00 1.00 1.00 0.66 1.00 1.00 0.66 -0.40 -0.40 -0.40 0.66
137 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
138 0.47 -0.10 0.47 0.47 0.47 -0.10 0.47 -0.10 -0.10 0.47 0.47 -0.10 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47
139 -0.26 0.51 0.51 0.51 -0.26 0.51 -0.26 0.51 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 -0.26 -0.26
140 0.49 0.14 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.14 0.49 0.49 0.49 0.49 0.14 0.49 0.49 0.49 0.49 0.49
141 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.74 -0.09 -0.09 -0.09 -0.74 -0.09 -0.09
142 -0.40 -0.40 1.00 1.00 0.66 1.00 0.66 1.00 1.00 0.66 0.66 0.66 0.66 1.00 0.66 0.66 0.66 -0.40 0.66 1.00
143 1.06 0.77 0.77 0.77 1.06 0.77 1.06 1.06 0.77 0.77 0.77 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77
144 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
145 0.24 0.71 0.71 -0.44 0.71 0.71 0.71 0.71 -0.44 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 0.71 -0.44 0.71 -0.44
146 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
147 -0.57 0.25 -0.57 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.57 -0.57 0.25 -0.57 -0.57
148 0.20 0.20 0.20 0.20 0.20 0.20 -0.41 0.20 1.04 0.20 0.20 0.20 0.20 -1.21 0.20 0.20 0.20 0.20 0.20 0.20
149 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
150 0.51 0.51 0.34 0.51 0.34 0.51 0.34 0.34 0.34 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.34 0.51 0.34 0.34
151 0.28 0.28 0.28 0.28 0.28 -0.59 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
152 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
153 1.25 1.25 1.25 1.25 1.14 -0.43 1.25 1.25 1.25 1.25 1.25 -0.43 1.25 1.14 1.25 1.25 1.25 1.25 1.25 1.25
154 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
155 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.72 0.47 0.47 0.47 0.47 0.47 0.47 0.47
156 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
157 0.47 0.08 0.47 0.47 -2.12 0.47 0.08 0.47 0.47 0.08 0.08 0.47 0.47 0.08 0.08 0.47 0.47 0.47 0.47 0.47
158 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41
#Reported_Model_Average 0.410 0.388 0.434 0.449 0.393 0.451 0.416 0.477 0.486 0.459 0.517 0.465 0.482 0.424 0.500 0.488 0.462 0.420 0.439 0.428
#Overall_Average_Reported 0.449
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
7 0.66 -0.40 -0.09 -0.09 -0.74 0.66 -0.09 -0.09 -0.74 -0.09 0.66 0.66 -0.09 -0.09 -0.09 -0.40 -0.09 -0.09 -0.09 -0.09
8 0.44 0.25 0.25 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.44 0.25
9 -0.43 -0.43 1.25 -0.43 1.25 -0.43 1.25 1.25 1.25 -0.43 1.25 1.25 1.25 1.25 1.25 1.25 -0.43 1.25 -0.43 1.25
10 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
11 0.93 -0.28 0.81 0.93 -0.28 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.93 0.81 -0.28 0.81
12 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
13 -0.26 -0.26 0.51 0.51 -0.26 -0.26 -0.26 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 -0.26 0.51
14 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
15 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
16 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
17 0.54 1.04 0.54 0.54 1.04 1.04 1.04 0.54 1.04 1.04 1.04 1.04 1.04 0.54 1.04 1.04 1.04 1.04 1.04 1.04
18 0.81 -0.54 -0.54 -0.54 -0.54 0.81 -0.54 -0.54 0.81 -0.54 0.81 -0.54 -0.54 -0.54 -0.54 0.81 0.81 -0.54 -0.54 -0.54
19 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28
20 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83
24 0.28 0.28 -0.46 -0.46 -0.46 -0.59 -0.46 -0.46 -0.46 -0.59 0.28 0.28 -0.46 -0.46 0.28 -0.46 -0.46 0.28 -0.46 -0.46
25 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
26 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
27 -0.28 -0.94 -0.28 -0.94 -0.94 -0.94 0.81 -0.28 -0.54 0.81 -0.28 -0.94 -0.28 -0.54 -0.28 -0.54 -0.94 -0.94 0.81 -0.54
28 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
29 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
30 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91
31 0.41 0.51 -0.26 0.51 0.51 0.51 0.09 0.51 0.09 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.09 0.51 0.51
32 0.34 0.17 0.17 0.17 0.17 0.34 0.59 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
33 1.14 0.52 1.14 1.14 1.14 1.14 0.52 1.14 1.14 0.52 1.14 1.14 1.14 0.52 1.14 1.14 1.14 1.14 1.14 1.14
34 1.14 0.52 0.52 1.14 0.52 1.25 0.52 0.52 1.14 1.14 1.14 1.14 0.52 1.14 1.14 1.14 1.14 0.52 1.14 0.52
35 -0.41 0.24 -0.44 0.71 0.71 0.24 -0.44 0.71 0.71 0.71 0.24 0.24 0.71 -0.44 0.24 0.71 0.71 -0.44 0.71 -0.44
36 0.34 0.17 0.34 0.17 0.34 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.59 0.17 0.34 0.34 0.34 0.34 0.34
37 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
38 -0.09 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
39 0.34 0.59 0.17 0.59 0.17 0.59 0.17 0.17 0.17 0.59 0.59 0.59 0.17 0.59 0.59 0.17 0.17 0.17 0.17 0.17
40 0.08 0.55 0.55 0.08 0.55 0.55 0.08 0.08 0.08 0.55 0.08 0.55 0.55 0.55 0.55 0.08 0.55 0.08 0.55 0.08
41 1.06 1.06 0.77 1.06 1.06 1.06 0.77 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 0.77
42 1.00 0.66 0.66 1.00 0.66 1.00 -0.09 0.66 1.00 1.00 1.00 1.00 0.66 1.00 1.00 0.66 -0.40 0.66 0.66 0.66
47 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
48 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47
49 -0.26 0.51 0.51 0.51 -0.26 0.51 -0.26 -0.26 -0.26 0.51 0.51 0.51 -0.26 -0.26 0.51 0.51 -0.26 -0.26 -0.26 -0.26
50 0.49 0.49 0.49 -0.25 0.49 0.14 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49
51 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.74 -0.09 -0.09 -0.09 -0.74 -0.09 -0.09
52 -0.40 0.66 1.00 1.00 0.66 1.00 0.66 1.00 1.00 0.66 0.66 -0.40 0.66 1.00 0.66 0.66 0.66 -0.40 0.66 1.00
53 1.06 0.77 1.06 0.77 1.06 0.77 1.06 1.06 0.77 0.77 0.77 0.77 1.06 0.77 0.77 1.06 1.06 1.06 1.06 1.06
54 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
55 0.24 0.71 0.71 -0.44 0.71 0.71 0.71 0.71 -0.44 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 0.71 -0.44 0.71 -0.44
56 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
57 -0.57 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.57 0.25 -0.57 0.25 0.25 0.25 0.25
58 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 1.04 0.20 0.20 0.20 0.20 -1.21 0.20 0.20 0.20 0.20 0.20 0.20
59 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
60 0.34 0.51 0.34 0.51 0.34 0.51 0.51 0.34 0.34 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.34 0.51 0.34 0.34
61 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
62 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
63 1.25 1.25 1.25 1.25 1.14 -0.43 1.25 1.25 1.25 1.25 -1.40 -0.43 1.25 1.14 1.25 1.25 1.25 1.25 1.25 1.25
64 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
65 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
66 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
67 0.47 0.08 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.08 0.08 0.47 0.47 0.08 0.08 0.47 0.47 0.47 0.47 0.47
68 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41
69 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
97 0.66 -0.40 -0.40 -0.09 -0.74 0.66 -0.09 -0.09 -0.74 -0.09 0.66 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
98 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25
99 -0.43 -0.43 1.25 -0.43 -0.43 -0.43 1.25 1.25 1.25 -0.43 1.25 1.25 1.25 1.25 1.25 1.25 -0.43 1.25 -0.43 1.25
100 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
101 0.93 -0.28 -0.28 0.81 -0.28 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.81 -0.28 0.81
102 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
103 -0.26 -0.26 -0.26 0.51 -0.26 -0.26 -0.26 -0.26 0.51 -0.26 -0.26 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51
104 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
105 0.08 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
106 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
107 1.04 1.04 1.04 0.54 1.04 1.04 1.04 1.04 1.04 0.54 1.04 1.04 1.04 1.04 1.04 1.04 0.54 1.04 1.04 1.04
108 0.81 -0.54 -0.54 -0.54 -0.28 0.81 -0.28 -0.54 0.81 -0.54 0.81 -0.54 -0.54 -0.54 -0.54 0.81 0.81 -0.54 -0.54 -0.54
109 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28
112 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
113 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
114 0.28 -0.46 0.28 0.28 -0.46 -0.59 -0.46 0.28 -0.46 -0.46 0.28 0.28 -0.46 -0.46 0.28 0.28 -0.46 0.28 0.28 -0.46
115 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
116 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
117 -0.28 -0.94 -0.28 -0.94 -0.94 -0.94 -0.54 -0.28 -0.54 0.81 -0.28 -0.94 -0.28 -0.54 -0.28 -0.94 -0.94 -0.94 0.81 -0.54
118 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 1.04 0.20 0.20 0.20
119 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
120 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91
121 0.41 0.51 -0.26 0.51 0.51 0.51 0.09 0.51 0.09 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.09 0.51 0.51
122 0.17 0.17 0.17 0.17 0.17 0.34 0.59 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
123 1.14 0.52 1.14 1.14 1.14 0.52 0.52 1.14 1.14 0.52 1.14 1.14 0.52 0.52 1.14 1.14 1.14 1.14 1.14 1.14
124 1.14 0.52 0.52 1.14 0.52 1.14 0.52 0.52 1.14 1.14 1.14 1.14 0.52 0.52 1.14 0.52 0.52 0.52 0.52 0.52
125 -0.41 0.24 0.71 0.24 0.71 0.24 -0.44 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 0.24 0.71 0.71 0.71 0.71 0.71
126 0.34 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.59 0.17 0.34 0.17 0.34 0.34 0.34
127 -0.09 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -0.09
128 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
129 0.34 0.59 0.17 0.59 0.17 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.17 0.59 0.59 0.17 0.17 0.17 0.17 0.17
130 0.08 0.55 0.55 0.08 0.55 0.55 0.08 0.08 0.08 0.55 0.08 0.55 0.55 0.55 0.08 0.08 0.55 0.55 0.55 0.08
131 1.06 1.06 0.77 1.06 1.06 1.06 0.77 0.77 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 0.77
132 1.00 0.66 0.66 1.00 0.66 1.00 -0.09 0.66 1.00 1.00 1.00 1.00 0.66 1.00 1.00 0.66 -0.40 -0.40 -0.40 0.66
137 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
138 0.47 -0.10 0.47 0.47 0.47 -0.10 0.47 -0.10 -0.10 0.47 0.47 -0.10 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47
139 -0.26 0.51 0.51 0.51 -0.26 0.51 -0.26 0.51 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 -0.26 -0.26
140 0.49 0.14 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.14 0.49 0.49 0.49 0.49 0.14 0.49 0.49 0.49 0.49 0.49
141 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.74 -0.09 -0.09 -0.09 -0.74 -0.09 -0.09
142 -0.40 -0.40 1.00 1.00 0.66 1.00 0.66 1.00 1.00 0.66 0.66 0.66 0.66 1.00 0.66 0.66 0.66 -0.40 0.66 1.00
143 1.06 0.77 0.77 0.77 1.06 0.77 1.06 1.06 0.77 0.77 0.77 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77
144 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
145 0.24 0.71 0.71 -0.44 0.71 0.71 0.71 0.71 -0.44 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 0.71 -0.44 0.71 -0.44
146 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
147 -0.57 0.25 -0.57 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.57 -0.57 0.25 -0.57 -0.57
148 0.20 0.20 0.20 0.20 0.20 0.20 -0.41 0.20 1.04 0.20 0.20 0.20 0.20 -1.21 0.20 0.20 0.20 0.20 0.20 0.20
149 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
150 0.51 0.51 0.34 0.51 0.34 0.51 0.34 0.34 0.34 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.34 0.51 0.34 0.34
151 0.28 0.28 0.28 0.28 0.28 -0.59 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
152 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
153 1.25 1.25 1.25 1.25 1.14 -0.43 1.25 1.25 1.25 1.25 1.25 -0.43 1.25 1.14 1.25 1.25 1.25 1.25 1.25 1.25
154 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
155 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.72 0.47 0.47 0.47 0.47 0.47 0.47 0.47
156 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
157 0.47 0.08 0.47 0.47 -2.12 0.47 0.08 0.47 0.47 0.08 0.08 0.47 0.47 0.08 0.08 0.47 0.47 0.47 0.47 0.47
158 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41
#Reported_Model_Average 0.410 0.388 0.434 0.449 0.393 0.451 0.416 0.477 0.486 0.459 0.517 0.465 0.482 0.424 0.500 0.488 0.462 0.420 0.439 0.428
#Overall_Average_Reported 0.449
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
7.000 2 2 2 2 2 2 2 2 2 2 1 2 1 2 2 2 1 2 2 2
8.000 2 2 2 3 2 1 2 2 2 2 1 3 1 2 2 2 1 2 2 2
9.000 0 2 0 1 2 0 1 0 0 1 1 1 0 1 0 0 1 1 0 0
10.000 0 1 0 0 1 3 2 0 0 0 0 0 0 0 0 1 0 0 0 0
11.000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 1 2 2 2 4 3 1 1 2 1 1 1 2 3 2 1 3 2 1 2
15.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
16.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
17.000 3 0 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 1
18.000 2 3 4 2 2 0 2 3 3 1 2 3 2 2 2 3 0 3 3 2
19.000 1 2 2 1 1 0 1 2 2 1 1 2 1 1 1 2 0 2 2 1
20.000 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1 1
24.000 3 1 0 0 0 1 0 1 0 1 0 0 1 1 0 1 1 0 0 1
25.000 2 1 1 0 3 0 1 0 0 0 0 0 1 1 0 1 1 0 1 1
26.000 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1
27.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
28.000 1 0 0 0 2 0 1 0 0 0 0 0 0 1 0 0 1 0 0 0
29.000 1 2 1 0 1 1 0 0 0 0 0 0 2 0 0 2 1 0 1 1
30.000 2 3 3 2 1 2 1 1 1 3 1 2 1 1 3 1 1 1 3 8
31.000 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0
32.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
33.000 1 0 0 1 1 3 0 0 0 0 1 1 0 1 1 2 2 1 0 0
34.000 1 1 0 0 0 0 1 1 0 0 0 0 1 0 0 0 1 0 0 0
35.000 0 3 0 0 4 0 2 4 0 1 0 0 0 1 2 0 4 0 1 0
36.000 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
37.000 1 0 0 1 1 1 0 0 0 0 1 1 0 1 1 1 1 1 0 0
38.000 0 1 0 2 0 1 1 1 0 2 0 1 1 0 0 0 1 0 0 0
39.000 0 1 0 1 0 1 0 0 0 2 0 1 0 0 2 0 0 0 0 0
40.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0
41.000 0 1 0 0 0 0 4 0 11 0 0 0 0 0 0 0 0 0 0 0
42.000 2 0 0 4 0 5 0 4 4 2 4 1 1 5 0 5 0 0 0 0
47.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
48.000 2 1 2 1 0 1 0 0 1 0 3 2 1 2 2 0 1 2 1 1
49.000 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0
50.000 1 1 1 1 0 1 0 1 1 0 1 1 0 1 1 0 2 1 0 1
51.000 1 0 1 0 0 0 0 0 0 0 2 1 1 1 1 0 0 1 1 0
52.000 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0
53.000 5 0 0 3 1 1 1 1 0 2 0 0 1 0 0 1 2 1 7 0
54.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
55.000 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
56.000 1 0 0 0 1 0 0 1 0 1 1 1 2 0 0 1 2 1 0 0
57.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
58.000 0 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 1 1 1 1
59.000 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0
60.000 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0
61.000 0 1 1 0 1 2 0 1 1 0 0 1 0 0 0 0 1 1 1 1
62.000 0 1 1 1 2 3 0 0 1 0 0 1 1 3 0 0 1 1 0 1
63.000 3 4 3 2 3 1 3 1 1 3 1 2 1 1 4 1 0 1 4 3
64.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
65.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
66.000 1 0 1 0 0 2 0 1 0 0 0 0 0 0 0 0 1 0 0 0
67.000 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0
68.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
69.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
97.000 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 1 2 2 2
98.000 2 2 2 3 2 1 2 2 2 2 1 3 2 2 2 2 1 2 2 2
99.000 0 2 0 0 2 0 1 0 0 1 1 1 0 1 0 1 1 1 0 0
100.000 0 1 0 0 2 3 2 0 0 0 0 0 0 0 0 1 0 0 0 0
101.000 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2
102.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
103.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
104.000 1 2 2 2 4 3 2 1 2 1 2 1 2 3 2 2 3 2 1 2
105.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
106.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
107.000 4 0 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 2
108.000 2 2 4 2 2 0 2 3 3 1 2 3 2 2 2 3 0 3 3 2
109.000 1 1 2 1 1 0 1 2 2 1 1 2 1 1 1 2 0 2 2 1
112.000 0 2 1 1 1 2 0 1 0 1 0 2 0 0 1 0 0 0 0 0
113.000 1 2 1 1 1 2 0 1 0 1 0 2 0 0 1 0 0 0 0 0
114.000 3 1 0 0 0 1 0 1 0 1 0 0 1 1 0 1 1 0 0 1
115.000 2 1 1 0 3 0 1 0 0 0 0 0 1 1 0 1 1 0 1 1
116.000 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1
117.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
118.000 1 0 0 0 2 0 1 0 0 0 0 0 0 1 0 0 1 0 0 0
119.000 1 2 1 0 1 1 0 0 0 0 0 0 2 0 0 2 1 0 1 1
120.000 2 3 3 2 0 2 1 1 1 4 1 2 1 1 3 1 1 1 4 8
121.000 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0
122.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
123.000 1 0 0 1 2 3 0 0 0 0 1 1 0 1 1 2 2 1 0 0
124.000 1 1 0 0 0 0 1 1 0 1 0 0 1 0 0 0 1 0 1 0
125.000 0 3 0 0 4 0 2 4 0 1 0 0 0 1 2 0 4 0 2 0
126.000 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
127.000 1 0 0 1 1 1 0 0 0 0 1 1 0 1 1 1 1 1 0 0
128.000 0 1 0 2 0 1 1 1 0 2 0 1 1 0 0 0 1 0 0 0
129.000 0 1 0 1 0 1 0 0 0 2 0 1 0 0 2 0 0 0 0 0
130.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0
131.000 0 0 0 0 0 0 4 0 11 0 0 0 0 0 0 0 0 0 0 0
132.000 2 0 0 4 1 5 0 4 4 2 5 1 1 4 0 4 0 0 0 0
137.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
138.000 2 1 2 1 0 1 0 0 1 0 3 2 1 1 2 0 1 2 1 1
139.000 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0
140.000 1 1 1 1 0 1 0 1 1 0 1 1 0 0 1 0 2 1 0 1
141.000 1 0 1 0 0 0 0 0 0 0 2 1 1 1 1 0 0 1 1 0
142.000 0 0 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0
143.000 5 0 0 3 0 1 1 1 1 2 0 0 1 1 0 1 1 1 7 0
144.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
145.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
146.000 1 0 0 0 0 0 0 1 0 1 0 1 2 0 0 1 1 1 0 0
147.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0
148.000 0 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 1 1 1 1
149.000 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0
150.000 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
151.000 0 1 1 1 1 2 0 1 1 0 0 0 0 0 0 0 1 1 1 1
152.000 0 1 1 1 3 3 1 0 1 0 1 0 1 2 0 1 1 1 0 1
153.000 3 4 3 2 2 1 3 1 1 3 1 2 1 1 4 1 0 1 3 3
154.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
155.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
156.000 1 0 1 0 0 2 0 1 0 0 0 0 0 0 0 0 1 0 0 0
157.000 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0
158.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.804 0.786 0.589 0.616 0.705 0.812 0.589 0.607 0.679 0.536 0.446 0.554 0.482 0.625 0.518 0.545 0.571 0.500 0.652 0.589
#Overall_Average_Reported 0.610
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 27 ILE 1HD1 :M 70 GLU 2HG : -0.558: 0
: 2639:M 53 LEU 1HD1 :M 143 LEU 1HD1 : -0.547: 0
: 2639:M 146 ILE HB :M 143 LEU HA : -0.502: 0
: 2639:M 56 ILE HB :M 53 LEU HA : -0.491: 0
: 2639:M 143 LEU HA :M 143 LEU 2HD1 : -0.466: 0
: 2639:M 53 LEU HA :M 53 LEU 2HD1 : -0.431: 0
: 2639:M 53 LEU CD2 :M 132 VAL 1HG2 : -0.422: 0
: 2639:M 42 VAL 1HG2 :M 143 LEU CD2 : -0.416: 0
: 2639:M 42 VAL CG2 :M 139 ASN 2HB : -0.412: 0
: 2639:M 132 VAL CG2 :M 49 ASN 2HB : -0.403: 0
: 2639:M 117 ILE 1HD1 :M 160 GLU 2HG : -0.544: 0
: 2639:M 120 MET SD :M 153 TYR HA : -0.517: 0
: 2639:M 156 VAL HB :M 120 MET SD : -0.509: 0
: 2639:M 153 TYR N :M 124 TYR OH : -0.456: 0
: 2639:M 150 ASP O :M 153 TYR 2HB : -0.427: 0
: 2639:M 30 MET SD :M 63 TYR HA : -0.515: 0
: 2639:M 66 VAL HB :M 30 MET SD : -0.508: 0
: 2639:M 63 TYR N :M 34 TYR OH : -0.459: 0
: 2639:M 60 ASP O :M 63 TYR 2HB : -0.430: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.502: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.480: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.495: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.480: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.494: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.489: 0
: 2639:M 138 LYS 1HG :M 140 ALA H : -0.478: 0
: 2639:M 138 LYS 2HB :M 141 VAL 3HG2 : -0.476: 0
: 2639:M 114 GLU 1HB :M 107 HIS 2HB : -0.475: 0
: 2639:M 114 GLU 1HB :M 107 HIS CB : -0.462: 0
: 2639:M 107 HIS HE1 :M 113 SER HG : -0.446: 0
: 2639:M 107 HIS CG :M 114 GLU 1HB : -0.434: 0
: 2639:M 24 GLU 1HB :M 17 HIS 2HB : -0.472: 0
: 2639:M 24 GLU 1HB :M 17 HIS CB : -0.461: 0
: 2639:M 17 HIS CG :M 24 GLU 1HB : -0.437: 0
: 2639:M 48 LYS 1HG :M 50 ALA H : -0.469: 0
: 2639:M 48 LYS 2HB :M 51 VAL 3HG2 : -0.469: 0
: 2639:M 26 LYS HA :M 18 ILE 2HG2 : -0.463: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.440: 0
: 2639:M 116 LYS HA :M 108 ILE 2HG2 : -0.460: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.443: 0
: 2639:M 123 TYR CE2 :M 127 VAL 1HG2 : -0.419: 0
: 2639:M 37 VAL 1HG2 :M 33 TYR CE2 : -0.417: 0
: 2639:M 25 ASP 1HB :M 28 HIS 1HB : -0.414: 0
: 2639:M 25 ASP O :M 29 ALA 2HB : -0.411: 0
: 2639:M 115 ASP 1HB :M 118 HIS 1HB : -0.406: 0
: 2639:M 115 ASP O :M 119 ALA 2HB : -0.402: 0
#sum2 ::17.43 clashscore : 17.43 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:296290 potential dots:18520.0 A^2:46 bumps:46 bumps B<40:827.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 163 LEU O :M 163 LEU HG : -0.713: 0
: 2639:M 163 LEU O :M 163 LEU CG : -0.485: 0
: 2639:M 73 LEU O :M 73 LEU HG : -0.711: 0
: 2639:M 120 MET SD :M 153 TYR HA : -0.615: 0
: 2639:M 120 MET CG :M 153 TYR HA : -0.438: 0
: 2639:M 150 ASP HA :M 153 TYR 2HB : -0.419: 0
: 2639:M 153 TYR HA :M 120 MET 1HG : -0.416: 0
: 2639:M 30 MET SD :M 63 TYR HA : -0.607: 0
: 2639:M 30 MET CG :M 63 TYR HA : -0.434: 0
: 2639:M 60 ASP HA :M 63 TYR 2HB : -0.423: 0
: 2639:M 63 TYR HA :M 30 MET 1HG : -0.423: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.596: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.461: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.593: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.468: 0
: 2639:M 72 LYS 2HG :M 72 LYS O : -0.561: 0
: 2639:M 162 LYS 2HG :M 162 LYS O : -0.557: 0
: 2639:M 134 ASP O :M 135 GLN 2HB : -0.518: 0
: 2639:M 134 ASP O :M 135 GLN CB : -0.432: 0
: 2639:M 44 ASP O :M 45 GLN 2HB : -0.510: 0
: 2639:M 44 ASP O :M 45 GLN CB : -0.441: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.501: 0
: 2639:M 26 LYS HA :M 18 ILE 2HG2 : -0.487: 0
: 2639:M 18 ILE CG1 :M 19 GLU N : -0.403: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.489: 0
: 2639:M 14 LEU CD1 :M 62 ALA 1HB : -0.448: 0
: 2639:M 99 TYR CE2 :M 94 LEU 1HB : -0.488: 0
: 2639:M 99 TYR CD2 :M 94 LEU 1HB : -0.434: 0
: 2639:M 116 LYS HA :M 108 ILE 2HG2 : -0.486: 0
: 2639:M 4 LEU 1HB :M 9 TYR CE2 : -0.486: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.480: 0
: 2639:M 9 TYR CD2 :M 4 LEU 1HB : -0.440: 0
: 2639:M 4 LEU 3HD2 :M 4 LEU H : -0.400: 0
: 2639:M 148 HIS O :M 151 GLU 1HG : -0.481: 0
: 2639:M 58 HIS O :M 61 GLU 1HG : -0.478: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.475: 0
: 2639:M 23 SER CB :M 22 GLN O : -0.475: 0
: 2639:M 23 SER 2HB :M 22 GLN O : -0.472: 0
: 2639:M 104 LEU CD1 :M 152 ALA 1HB : -0.448: 0
: 2639:M 113 SER 2HB :M 112 GLN O : -0.467: 0
: 2639:M 112 GLN O :M 113 SER CB : -0.463: 0
: 2639:M 35 ARG 2HB :M 126 SER HA : -0.445: 0
: 2639:M 126 SER HA :M 35 ARG 1HD : -0.439: 0
: 2639:M 35 ARG 1HG :M 129 SER CB : -0.438: 0
: 2639:M 48 LYS 1HG :M 50 ALA H : -0.435: 0
: 2639:M 125 ARG 1HD :M 36 SER HA : -0.434: 0
: 2639:M 125 ARG 2HB :M 36 SER HA : -0.425: 0
: 2639:M 39 SER CB :M 125 ARG 1HG : -0.422: 0
: 2639:M 138 LYS 1HG :M 140 ALA H : -0.431: 0
: 2639:M 149 LEU 3HD1 :M 100 PHE CD2 : -0.425: 0
: 2639:M 59 LEU 3HD1 :M 10 PHE CD2 : -0.417: 0
: 2639:M 76 HIS 1HB :M 75 HIS O : -0.408: 0
: 2639:M 166 HIS 1HB :M 165 HIS O : -0.406: 0
: 2639:M 119 ALA HA :M 114 GLU 2HG : -0.404: 0
: 2639:M 119 ALA 2HB :M 115 ASP O : -0.404: 0
: 2639:M 29 ALA 2HB :M 25 ASP O : -0.403: 0
: 2639:M 29 ALA HA :M 24 GLU 2HG : -0.400: 0
: 2639:M 38 VAL 3HG2 :M 34 TYR O : -0.401: 0
: 2639:M 41 LEU 2HD2 :M 55 ARG 2HB : -0.401: 0
: 2639:M 124 TYR O :M 128 VAL 3HG2 : -0.400: 0
#sum2 ::22.74 clashscore : 22.74 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297111 potential dots:18570.0 A^2:60 bumps:60 bumps B<40:774.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 120 MET SD :M 153 TYR HA : -0.616: 0
: 2639:M 153 TYR HA :M 120 MET 1HG : -0.412: 0
: 2639:M 120 MET CG :M 153 TYR HA : -0.404: 0
: 2639:M 30 MET SD :M 63 TYR HA : -0.614: 0
: 2639:M 63 TYR HA :M 30 MET 1HG : -0.413: 0
: 2639:M 30 MET CG :M 63 TYR HA : -0.406: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.577: 0
: 2639:M 104 LEU CD1 :M 152 ALA 1HB : -0.413: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.573: 0
: 2639:M 62 ALA 1HB :M 14 LEU CD1 : -0.409: 0
: 2639:M 93 GLU 1HG :M 94 LEU HG : -0.512: 0
: 2639:M 93 GLU O :M 94 LEU CB : -0.434: 0
: 2639:M 93 GLU O :M 94 LEU 1HB : -0.431: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.509: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.509: 0
: 2639:M 116 LYS O :M 108 ILE 2HG2 : -0.480: 0
: 2639:M 26 LYS O :M 18 ILE 2HG2 : -0.467: 0
: 2639:M 156 VAL 3HG1 :M 108 ILE 1HG2 : -0.429: 0
: 2639:M 66 VAL 3HG1 :M 18 ILE 1HG2 : -0.427: 0
: 2639:M 108 ILE CG1 :M 109 GLU N : -0.426: 0
: 2639:M 19 GLU N :M 18 ILE CG1 : -0.413: 0
: 2639:M 58 HIS O :M 61 GLU 1HG : -0.502: 0
: 2639:M 148 HIS O :M 151 GLU 1HG : -0.495: 0
: 2639:M 138 LYS 2HB :M 141 VAL 3HG2 : -0.494: 0
: 2639:M 3 GLU 1HG :M 4 LEU HG : -0.494: 0
: 2639:M 3 GLU O :M 4 LEU 1HB : -0.437: 0
: 2639:M 3 GLU O :M 4 LEU CB : -0.434: 0
: 2639:M 138 LYS 1HG :M 140 ALA H : -0.422: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.489: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.435: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.485: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.448: 0
: 2639:M 48 LYS 2HB :M 51 VAL 3HG2 : -0.478: 0
: 2639:M 48 LYS 1HG :M 50 ALA H : -0.435: 0
: 2639:M 23 SER 2HB :M 22 GLN O : -0.477: 0
: 2639:M 22 GLN O :M 23 SER CB : -0.435: 0
: 2639:M 113 SER 2HB :M 112 GLN O : -0.463: 0
: 2639:M 110 MET SD :M 106 GLN 2HG : -0.446: 0
: 2639:M 20 MET SD :M 16 GLN 2HG : -0.445: 0
: 2639:M 115 ASP O :M 119 ALA 2HB : -0.424: 0
: 2639:M 135 GLN 1HG :M 135 GLN O : -0.422: 0
: 2639:M 29 ALA 2HB :M 25 ASP O : -0.413: 0
: 2639:M 45 GLN O :M 45 GLN 1HG : -0.411: 0
: 2639:M 136 LEU 3HD2 :M 142 VAL 1HG1 : -0.400: 0
#sum2 ::16.67 clashscore : 16.67 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:296815 potential dots:18550.0 A^2:44 bumps:44 bumps B<40:870.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 132 VAL O :M 132 VAL 2HG1 : -0.737: 0
: 2639:M 132 VAL O :M 132 VAL CG1 : -0.483: 0
: 2639:M 42 VAL O :M 42 VAL 2HG1 : -0.734: 0
: 2639:M 42 VAL O :M 42 VAL CG1 : -0.482: 0
: 2639:M 120 MET SD :M 153 TYR HA : -0.608: 0
: 2639:M 153 TYR HA :M 120 MET CG : -0.416: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.596: 0
: 2639:M 14 LEU CD1 :M 62 ALA 1HB : -0.453: 0
: 2639:M 30 MET SD :M 63 TYR HA : -0.594: 0
: 2639:M 30 MET CG :M 63 TYR HA : -0.414: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.593: 0
: 2639:M 104 LEU CD1 :M 152 ALA 1HB : -0.454: 0
: 2639:M 94 LEU 2HD1 :M 94 LEU O : -0.558: 0
: 2639:M 4 LEU O :M 4 LEU 2HD1 : -0.558: 0
: 2639:M 4 LEU 2HD1 :M 4 LEU C : -0.548: 0
: 2639:M 94 LEU 2HD1 :M 94 LEU C : -0.544: 0
: 2639:M 4 LEU HA :M 9 TYR CD2 : -0.409: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.499: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.470: 0
: 2639:M 98 PRO 1HD :M 96 SER 1HB : -0.420: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.495: 0
: 2639:M 26 LYS O :M 18 ILE 2HG2 : -0.462: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.493: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.469: 0
: 2639:M 8 PRO 1HD :M 6 SER 1HB : -0.432: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.489: 0
: 2639:M 116 LYS O :M 108 ILE 2HG2 : -0.472: 0
: 2639:M 113 SER 2HB :M 112 GLN O : -0.442: 0
: 2639:M 23 SER 2HB :M 22 GLN O : -0.442: 0
: 2639:M 38 VAL 2HG1 :M 128 VAL 2HG1 : -0.435: 0
: 2639:M 39 SER HA :M 128 VAL 1HG1 : -0.424: 0
: 2639:M 129 SER HA :M 38 VAL 1HG1 : -0.424: 0
: 2639:M 143 LEU 3HD1 :M 143 LEU O : -0.428: 0
: 2639:M 143 LEU N :M 142 VAL 3HG2 : -0.422: 0
: 2639:M 127 VAL 1HG2 :M 123 TYR CE1 : -0.423: 0
: 2639:M 37 VAL 1HG2 :M 33 TYR CE1 : -0.423: 0
: 2639:M 53 LEU 3HD1 :M 53 LEU O : -0.418: 0
: 2639:M 53 LEU N :M 52 VAL 3HG2 : -0.410: 0
: 2639:M 48 LYS 1HG :M 50 ALA H : -0.410: 0
: 2639:M 140 ALA H :M 138 LYS 1HG : -0.409: 0
: 2639:M 148 HIS O :M 151 GLU 1HG : -0.404: 0
#sum2 ::15.54 clashscore : 15.54 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297045 potential dots:18570.0 A^2:41 bumps:41 bumps B<40:782.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 91 MET O :M 92 SER 2HB : -0.526: 0
: 2639:M 91 MET O :M 92 SER CB : -0.401: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.521: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.462: 0
: 2639:M 1 MET O :M 2 SER 2HB : -0.520: 0
: 2639:M 1 MET O :M 2 SER CB : -0.421: 0
: 2639:M 116 LYS HA :M 108 ILE 2HG2 : -0.511: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.486: 0
: 2639:M 94 LEU 2HD1 :M 94 LEU C : -0.510: 0
: 2639:M 99 TYR CD2 :M 94 LEU HA : -0.449: 0
: 2639:M 99 TYR 2HB :M 96 SER O : -0.432: 0
: 2639:M 4 LEU 2HD1 :M 4 LEU C : -0.502: 0
: 2639:M 9 TYR CD2 :M 4 LEU HA : -0.443: 0
: 2639:M 6 SER O :M 9 TYR 2HB : -0.432: 0
: 2639:M 26 LYS HA :M 18 ILE 2HG2 : -0.501: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.476: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.499: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.450: 0
: 2639:M 25 ASP 1HB :M 28 HIS 1HB : -0.489: 0
: 2639:M 25 ASP O :M 29 ALA 2HB : -0.480: 0
: 2639:M 25 ASP CB :M 28 HIS 1HB : -0.433: 0
: 2639:M 115 ASP O :M 119 ALA 2HB : -0.487: 0
: 2639:M 115 ASP 1HB :M 118 HIS 1HB : -0.482: 0
: 2639:M 115 ASP CB :M 118 HIS 1HB : -0.429: 0
: 2639:M 63 TYR CD2 :M 63 TYR C : -0.480: 0
: 2639:M 125 ARG O :M 125 ARG 1HD : -0.480: 0
: 2639:M 125 ARG 1HD :M 125 ARG C : -0.454: 0
: 2639:M 30 MET SD :M 63 TYR CD1 : -0.402: 0
: 2639:M 35 ARG O :M 35 ARG 1HD : -0.478: 0
: 2639:M 35 ARG 1HD :M 35 ARG C : -0.463: 0
: 2639:M 153 TYR CD2 :M 153 TYR C : -0.464: 0
: 2639:M 62 ALA 1HB :M 14 LEU 2HD1 : -0.457: 0
: 2639:M 14 LEU CD1 :M 62 ALA 1HB : -0.421: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.414: 0
: 2639:M 14 LEU HG :M 10 PHE O : -0.413: 0
: 2639:M 37 VAL 1HG2 :M 33 TYR CE2 : -0.455: 0
: 2639:M 23 SER 2HB :M 22 GLN O : -0.454: 0
: 2639:M 152 ALA 1HB :M 104 LEU 2HD1 : -0.451: 0
: 2639:M 123 TYR CE2 :M 127 VAL 1HG2 : -0.447: 0
: 2639:M 104 LEU CD1 :M 152 ALA 1HB : -0.412: 0
: 2639:M 101 ILE HA :M 104 LEU 2HD1 : -0.408: 0
: 2639:M 100 PHE HA :M 123 TYR OH : -0.405: 0
: 2639:M 101 ILE 1HG1 :M 152 ALA HA : -0.403: 0
: 2639:M 104 LEU HG :M 100 PHE O : -0.403: 0
: 2639:M 113 SER 2HB :M 112 GLN O : -0.447: 0
: 2639:M 58 HIS O :M 61 GLU 1HG : -0.446: 0
: 2639:M 148 HIS O :M 151 GLU 1HG : -0.445: 0
: 2639:M 56 ILE HB :M 53 LEU 2HD1 : -0.416: 0
: 2639:M 45 GLN O :M 46 LEU C : -0.411: 0
: 2639:M 135 GLN O :M 136 LEU C : -0.410: 0
: 2639:M 132 VAL 3HG1 :M 133 GLN 2HG : -0.405: 0
#sum2 ::19.33 clashscore : 19.33 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297149 potential dots:18570.0 A^2:51 bumps:51 bumps B<40:770.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 132 VAL O :M 132 VAL 2HG1 : -0.814: 0
: 2639:M 132 VAL O :M 132 VAL CG1 : -0.607: 0
: 2639:M 132 VAL HB :M 38 VAL 1HG1 : -0.433: 0
: 2639:M 42 VAL O :M 42 VAL 2HG1 : -0.789: 0
: 2639:M 42 VAL O :M 42 VAL CG1 : -0.527: 0
: 2639:M 128 VAL 1HG1 :M 42 VAL HB : -0.428: 0
: 2639:M 94 LEU O :M 95 PHE CB : -0.646: 0
: 2639:M 4 LEU O :M 5 PHE CB : -0.646: 0
: 2639:M 94 LEU 1HB :M 130 THR 1HG2 : -0.518: 0
: 2639:M 4 LEU 1HB :M 40 THR 1HG2 : -0.514: 0
: 2639:M 5 PHE 2HB :M 4 LEU O : -0.472: 0
: 2639:M 95 PHE 2HB :M 94 LEU O : -0.468: 0
: 2639:M 95 PHE H :M 94 LEU 2HB : -0.442: 0
: 2639:M 160 GLU C :M 159 GLY O : -0.576: 0
: 2639:M 156 VAL HB :M 120 MET SD : -0.499: 0
: 2639:M 160 GLU N :M 156 VAL O : -0.485: 0
: 2639:M 153 TYR CD2 :M 120 MET SD : -0.441: 0
: 2639:M 70 GLU C :M 69 GLY O : -0.552: 0
: 2639:M 66 VAL HB :M 30 MET SD : -0.511: 0
: 2639:M 70 GLU N :M 66 VAL O : -0.492: 0
: 2639:M 63 TYR CD2 :M 30 MET SD : -0.444: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.523: 0
: 2639:M 33 TYR OH :M 10 PHE HA : -0.476: 0
: 2639:M 7 VAL HA :M 10 PHE CD2 : -0.415: 0
: 2639:M 33 TYR CB :M 29 ALA O : -0.412: 0
: 2639:M 37 VAL 1HG2 :M 33 TYR CE1 : -0.408: 0
: 2639:M 59 LEU 3HD1 :M 10 PHE CD2 : -0.400: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.517: 0
: 2639:M 123 TYR OH :M 100 PHE HA : -0.494: 0
: 2639:M 127 VAL 1HG2 :M 123 TYR CE1 : -0.415: 0
: 2639:M 123 TYR CB :M 119 ALA O : -0.411: 0
: 2639:M 100 PHE CD2 :M 97 VAL HA : -0.407: 0
: 2639:M 149 LEU 3HD1 :M 100 PHE CD2 : -0.406: 0
: 2639:M 53 LEU 2HD2 :M 143 LEU 2HD2 : -0.514: 0
: 2639:M 14 LEU CD1 :M 62 ALA 1HB : -0.507: 0
: 2639:M 62 ALA N :M 61 GLU CG : -0.481: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.478: 0
: 2639:M 58 HIS O :M 61 GLU 1HG : -0.463: 0
: 2639:M 62 ALA 1HB :M 14 LEU 2HD1 : -0.400: 0
: 2639:M 104 LEU CD1 :M 152 ALA 1HB : -0.505: 0
: 2639:M 152 ALA N :M 151 GLU CG : -0.480: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.475: 0
: 2639:M 148 HIS O :M 151 GLU 1HG : -0.454: 0
: 2639:M 152 ALA 1HB :M 104 LEU 2HD1 : -0.400: 0
: 2639:M 46 LEU N :M 44 ASP O : -0.496: 0
: 2639:M 136 LEU N :M 134 ASP O : -0.496: 0
: 2639:M 46 LEU 3HD2 :M 52 VAL 1HG1 : -0.407: 0
: 2639:M 136 LEU 3HD2 :M 142 VAL 1HG1 : -0.406: 0
: 2639:M 23 SER 2HB :M 22 GLN O : -0.483: 0
: 2639:M 22 GLN O :M 23 SER CB : -0.402: 0
: 2639:M 113 SER 2HB :M 112 GLN O : -0.475: 0
: 2639:M 112 GLN O :M 113 SER CB : -0.403: 0
: 2639:M 17 HIS 2HB :M 24 GLU 2HB : -0.452: 0
: 2639:M 107 HIS 2HB :M 114 GLU 2HB : -0.446: 0
: 2639:M 150 ASP 1HB :M 147 GLN O : -0.431: 0
: 2639:M 60 ASP 1HB :M 57 GLN O : -0.423: 0
: 2639:M 138 LYS 1HG :M 140 ALA H : -0.413: 0
: 2639:M 39 SER 1HB :M 129 SER 1HB : -0.412: 0
: 2639:M 48 LYS 1HG :M 50 ALA H : -0.411: 0
#sum2 ::22.36 clashscore : 22.36 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297232 potential dots:18580.0 A^2:59 bumps:59 bumps B<40:845.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 94 LEU 3HD2 :M 94 LEU O : -0.908: 0
: 2639:M 94 LEU O :M 94 LEU CD2 : -0.612: 0
: 2639:M 4 LEU 3HD2 :M 4 LEU O : -0.905: 0
: 2639:M 4 LEU CD2 :M 4 LEU O : -0.622: 0
: 2639:M 136 LEU 3HD2 :M 136 LEU O : -0.648: 0
: 2639:M 153 TYR CD1 :M 153 TYR C : -0.647: 0
: 2639:M 120 MET SD :M 153 TYR HA : -0.604: 0
: 2639:M 63 TYR C :M 63 TYR CD1 : -0.646: 0
: 2639:M 30 MET SD :M 63 TYR HA : -0.601: 0
: 2639:M 46 LEU 3HD2 :M 46 LEU O : -0.630: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.623: 0
: 2639:M 104 LEU CD1 :M 152 ALA 1HB : -0.401: 0
: 2639:M 26 LYS O :M 18 ILE 2HG2 : -0.607: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.607: 0
: 2639:M 19 GLU N :M 18 ILE 2HG1 : -0.414: 0
: 2639:M 131 LEU 3HD2 :M 131 LEU O : -0.596: 0
: 2639:M 131 LEU C :M 131 LEU CD2 : -0.400: 0
: 2639:M 116 LYS O :M 108 ILE 2HG2 : -0.589: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.407: 0
: 2639:M 41 LEU 3HD2 :M 41 LEU O : -0.579: 0
: 2639:M 41 LEU C :M 41 LEU CD2 : -0.409: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.525: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.440: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.513: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.442: 0
: 2639:M 115 ASP CB :M 118 HIS 1HB : -0.484: 0
: 2639:M 125 ARG O :M 125 ARG 1HD : -0.481: 0
: 2639:M 35 ARG O :M 35 ARG 1HD : -0.478: 0
: 2639:M 25 ASP CB :M 28 HIS 1HB : -0.475: 0
: 2639:M 100 PHE N :M 100 PHE CD1 : -0.457: 0
: 2639:M 79 HIS O :M 80 HIS 1HB : -0.435: 0
: 2639:M 99 TYR 2HB :M 96 SER O : -0.435: 0
: 2639:M 10 PHE N :M 10 PHE CD1 : -0.434: 0
: 2639:M 6 SER O :M 9 TYR 2HB : -0.434: 0
: 2639:M 169 HIS O :M 170 HIS 1HB : -0.432: 0
: 2639:M 111 ASN 2HB :M 110 MET O : -0.431: 0
: 2639:M 107 HIS O :M 111 ASN HA : -0.426: 0
: 2639:M 21 ASN 2HB :M 20 MET O : -0.429: 0
: 2639:M 17 HIS O :M 21 ASN HA : -0.427: 0
: 2639:M 20 MET O :M 21 ASN CB : -0.401: 0
: 2639:M 53 LEU N :M 52 VAL 3HG2 : -0.426: 0
: 2639:M 143 LEU N :M 142 VAL 3HG2 : -0.421: 0
: 2639:M 67 LYS 1HE :M 67 LYS 2HB : -0.415: 0
: 2639:M 38 VAL 1HG2 :M 34 TYR CE1 : -0.410: 0
: 2639:M 128 VAL 1HG2 :M 124 TYR CE1 : -0.407: 0
#sum2 ::17.05 clashscore : 17.05 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297195 potential dots:18570.0 A^2:45 bumps:45 bumps B<40:813.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 42 VAL O :M 42 VAL 2HG1 : -0.784: 0
: 2639:M 42 VAL O :M 42 VAL CG1 : -0.595: 0
: 2639:M 132 VAL O :M 132 VAL 2HG1 : -0.758: 0
: 2639:M 132 VAL O :M 132 VAL CG1 : -0.525: 0
: 2639:M 125 ARG 1HD :M 125 ARG C : -0.571: 0
: 2639:M 125 ARG O :M 125 ARG 1HD : -0.537: 0
: 2639:M 30 MET SD :M 63 TYR HA : -0.570: 0
: 2639:M 120 MET SD :M 153 TYR HA : -0.563: 0
: 2639:M 35 ARG 1HD :M 35 ARG C : -0.559: 0
: 2639:M 35 ARG O :M 35 ARG 1HD : -0.537: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.545: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.536: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.525: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.505: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.512: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.508: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.500: 0
: 2639:M 116 LYS O :M 108 ILE 2HG2 : -0.431: 0
: 2639:M 109 GLU N :M 108 ILE CG1 : -0.404: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.495: 0
: 2639:M 26 LYS O :M 18 ILE 2HG2 : -0.429: 0
: 2639:M 19 GLU N :M 18 ILE CG1 : -0.400: 0
: 2639:M 58 HIS O :M 61 GLU 1HG : -0.476: 0
: 2639:M 113 SER 2HB :M 112 GLN O : -0.467: 0
: 2639:M 148 HIS O :M 151 GLU 1HG : -0.467: 0
: 2639:M 23 SER 2HB :M 22 GLN O : -0.455: 0
: 2639:M 50 ALA HA :M 139 ASN 2HB : -0.434: 0
: 2639:M 160 GLU 1HG :M 156 VAL O : -0.431: 0
: 2639:M 70 GLU 1HG :M 66 VAL O : -0.427: 0
: 2639:M 140 ALA HA :M 49 ASN 2HB : -0.420: 0
: 2639:M 143 LEU HA :M 146 ILE 2HD1 : -0.420: 0
: 2639:M 128 VAL 1HG2 :M 124 TYR CE2 : -0.418: 0
: 2639:M 53 LEU HA :M 56 ILE 2HD1 : -0.417: 0
: 2639:M 38 VAL 1HG2 :M 34 TYR CE2 : -0.412: 0
: 2639:M 17 HIS 2HB :M 24 GLU 2HB : -0.404: 0
: 2639:M 107 HIS 2HB :M 114 GLU 2HB : -0.404: 0
#sum2 ::13.64 clashscore : 13.64 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:296800 potential dots:18550.0 A^2:36 bumps:36 bumps B<40:898.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 132 VAL O :M 132 VAL 2HG1 : -0.815: 0
: 2639:M 132 VAL O :M 132 VAL CG1 : -0.643: 0
: 2639:M 42 VAL O :M 42 VAL 2HG1 : -0.813: 0
: 2639:M 42 VAL O :M 42 VAL CG1 : -0.638: 0
: 2639:M 131 LEU CD2 :M 131 LEU O : -0.748: 0
: 2639:M 131 LEU CD2 :M 131 LEU C : -0.745: 0
: 2639:M 131 LEU O :M 131 LEU 2HD2 : -0.654: 0
: 2639:M 131 LEU 2HD2 :M 131 LEU C : -0.623: 0
: 2639:M 131 LEU 3HD2 :M 131 LEU O : -0.523: 0
: 2639:M 145 ARG 1HB :M 131 LEU 1HD1 : -0.408: 0
: 2639:M 41 LEU CD2 :M 41 LEU O : -0.743: 0
: 2639:M 41 LEU CD2 :M 41 LEU C : -0.723: 0
: 2639:M 41 LEU O :M 41 LEU 2HD2 : -0.653: 0
: 2639:M 41 LEU 2HD2 :M 41 LEU C : -0.637: 0
: 2639:M 41 LEU 3HD2 :M 41 LEU O : -0.528: 0
: 2639:M 55 ARG 1HB :M 41 LEU 1HD1 : -0.415: 0
: 2639:M 49 ASN 2HB :M 139 ASN 2HB : -0.663: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.603: 0
: 2639:M 104 LEU CD1 :M 152 ALA 1HB : -0.426: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.597: 0
: 2639:M 14 LEU CD1 :M 62 ALA 1HB : -0.416: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.523: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.471: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.509: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.482: 0
: 2639:M 120 MET SD :M 153 TYR HA : -0.494: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.492: 0
: 2639:M 116 LYS O :M 108 ILE 2HG2 : -0.468: 0
: 2639:M 109 GLU N :M 108 ILE CG1 : -0.412: 0
: 2639:M 30 MET SD :M 63 TYR HA : -0.485: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.483: 0
: 2639:M 26 LYS O :M 18 ILE 2HG2 : -0.483: 0
: 2639:M 19 GLU N :M 18 ILE CG1 : -0.407: 0
: 2639:M 148 HIS O :M 151 GLU 1HG : -0.416: 0
: 2639:M 61 GLU 1HG :M 58 HIS O : -0.412: 0
: 2639:M 143 LEU N :M 142 VAL 3HG2 : -0.408: 0
: 2639:M 140 ALA H :M 138 LYS 1HG : -0.406: 0
: 2639:M 72 LYS O :M 73 LEU C : -0.404: 0
: 2639:M 50 ALA H :M 48 LYS 1HG : -0.403: 0
: 2639:M 162 LYS O :M 163 LEU C : -0.401: 0
: 2639:M 166 HIS 1HB :M 165 HIS O : -0.401: 0
#sum2 ::15.54 clashscore : 15.54 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:296812 potential dots:18550.0 A^2:41 bumps:41 bumps B<40:920.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.571: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.570: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.566: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.445: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.559: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.444: 0
: 2639:M 39 SER 1HB :M 129 SER 1HB : -0.532: 0
: 2639:M 39 SER 2HB :M 125 ARG 1HB : -0.447: 0
: 2639:M 129 SER 2HB :M 35 ARG 1HB : -0.440: 0
: 2639:M 49 ASN 2HB :M 143 LEU 1HD2 : -0.523: 0
: 2639:M 139 ASN 2HB :M 53 LEU 1HD2 : -0.507: 0
: 2639:M 53 LEU 2HD2 :M 143 LEU 2HD2 : -0.504: 0
: 2639:M 38 VAL 2HG1 :M 128 VAL 2HG1 : -0.522: 0
: 2639:M 56 ILE 1HD1 :M 42 VAL 3HG2 : -0.451: 0
: 2639:M 128 VAL 1HG1 :M 42 VAL HB : -0.448: 0
: 2639:M 132 VAL HB :M 38 VAL 1HG1 : -0.438: 0
: 2639:M 146 ILE 1HD1 :M 132 VAL 3HG2 : -0.423: 0
: 2639:M 63 TYR HA :M 30 MET 1HG : -0.501: 0
: 2639:M 30 MET SD :M 63 TYR HA : -0.439: 0
: 2639:M 63 TYR HA :M 30 MET CG : -0.404: 0
: 2639:M 153 TYR HA :M 120 MET 1HG : -0.492: 0
: 2639:M 120 MET SD :M 153 TYR HA : -0.429: 0
: 2639:M 120 MET O :M 124 TYR N : -0.413: 0
: 2639:M 153 TYR HA :M 120 MET CG : -0.408: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.490: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.488: 0
: 2639:M 75 HIS O :M 76 HIS C : -0.475: 0
: 2639:M 75 HIS O :M 76 HIS O : -0.401: 0
: 2639:M 113 SER 2HB :M 112 GLN O : -0.472: 0
: 2639:M 165 HIS O :M 166 HIS C : -0.467: 0
: 2639:M 23 SER 2HB :M 22 GLN O : -0.463: 0
: 2639:M 17 HIS 2HB :M 24 GLU 2HB : -0.450: 0
: 2639:M 107 HIS 2HB :M 114 GLU 2HB : -0.435: 0
: 2639:M 6 SER O :M 9 TYR 2HB : -0.427: 0
: 2639:M 99 TYR 2HB :M 96 SER O : -0.414: 0
#sum2 ::13.26 clashscore : 13.26 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:296886 potential dots:18560.0 A^2:35 bumps:35 bumps B<40:935.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 132 VAL O :M 132 VAL 2HG1 : -0.790: 0
: 2639:M 132 VAL O :M 132 VAL CG1 : -0.598: 0
: 2639:M 56 ILE 1HG2 :M 132 VAL 1HG1 : -0.403: 0
: 2639:M 42 VAL O :M 42 VAL 2HG1 : -0.781: 0
: 2639:M 42 VAL O :M 42 VAL CG1 : -0.561: 0
: 2639:M 120 MET SD :M 153 TYR HA : -0.611: 0
: 2639:M 30 MET SD :M 63 TYR HA : -0.595: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.590: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.582: 0
: 2639:M 152 ALA 1HB :M 104 LEU CD1 : -0.408: 0
: 2639:M 95 PHE H :M 99 TYR CB : -0.532: 0
: 2639:M 5 PHE H :M 9 TYR CB : -0.532: 0
: 2639:M 26 LYS O :M 18 ILE 2HG2 : -0.517: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.432: 0
: 2639:M 116 LYS O :M 108 ILE 2HG2 : -0.515: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.443: 0
: 2639:M 44 ASP O :M 45 GLN 2HB : -0.500: 0
: 2639:M 44 ASP O :M 45 GLN CB : -0.443: 0
: 2639:M 134 ASP O :M 135 GLN 2HB : -0.496: 0
: 2639:M 134 ASP O :M 135 GLN CB : -0.413: 0
: 2639:M 37 VAL 1HG2 :M 33 TYR CE1 : -0.465: 0
: 2639:M 127 VAL 1HG2 :M 123 TYR CE1 : -0.462: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.459: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.453: 0
: 2639:M 138 LYS 2HB :M 141 VAL CG2 : -0.439: 0
: 2639:M 48 LYS 2HB :M 51 VAL CG2 : -0.439: 0
: 2639:M 48 LYS 2HB :M 51 VAL 3HG2 : -0.437: 0
: 2639:M 138 LYS 2HB :M 141 VAL 3HG2 : -0.426: 0
: 2639:M 138 LYS 1HG :M 140 ALA H : -0.409: 0
: 2639:M 48 LYS 1HG :M 50 ALA H : -0.406: 0
#sum2 ::11.37 clashscore : 11.37 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297013 potential dots:18560.0 A^2:30 bumps:30 bumps B<40:882.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.618: 0
: 2639:M 120 MET SD :M 153 TYR HA : -0.612: 0
: 2639:M 120 MET CG :M 153 TYR HA : -0.435: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.611: 0
: 2639:M 30 MET SD :M 63 TYR HA : -0.595: 0
: 2639:M 30 MET CG :M 63 TYR HA : -0.439: 0
: 2639:M 46 LEU O :M 46 LEU 2HD1 : -0.568: 0
: 2639:M 46 LEU 2HD1 :M 46 LEU C : -0.493: 0
: 2639:M 45 GLN O :M 46 LEU 2HB : -0.448: 0
: 2639:M 136 LEU O :M 136 LEU 2HD1 : -0.559: 0
: 2639:M 136 LEU 2HD1 :M 136 LEU C : -0.499: 0
: 2639:M 135 GLN O :M 136 LEU 2HB : -0.453: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.508: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.461: 0
: 2639:M 8 PRO 1HD :M 6 SER 1HB : -0.431: 0
: 2639:M 6 SER O :M 9 TYR 2HB : -0.407: 0
: 2639:M 116 LYS O :M 108 ILE 2HG2 : -0.505: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.488: 0
: 2639:M 109 GLU N :M 108 ILE CG1 : -0.407: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.501: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.457: 0
: 2639:M 98 PRO 1HD :M 96 SER 1HB : -0.418: 0
: 2639:M 96 SER O :M 99 TYR 2HB : -0.402: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.495: 0
: 2639:M 26 LYS O :M 18 ILE 2HG2 : -0.492: 0
: 2639:M 19 GLU N :M 18 ILE CG1 : -0.403: 0
: 2639:M 23 SER 2HB :M 22 GLN O : -0.480: 0
: 2639:M 22 GLN O :M 23 SER CB : -0.442: 0
: 2639:M 113 SER 2HB :M 112 GLN O : -0.476: 0
: 2639:M 37 VAL 1HG2 :M 33 TYR CE1 : -0.476: 0
: 2639:M 112 GLN O :M 113 SER CB : -0.447: 0
: 2639:M 127 VAL 1HG2 :M 123 TYR CE1 : -0.475: 0
: 2639:M 48 LYS 2HB :M 51 VAL 3HG2 : -0.441: 0
: 2639:M 48 LYS 1HG :M 50 ALA H : -0.414: 0
: 2639:M 138 LYS 2HB :M 141 VAL 3HG2 : -0.427: 0
: 2639:M 138 LYS 1HG :M 140 ALA H : -0.423: 0
: 2639:M 146 ILE 1HG2 :M 42 VAL 1HG1 : -0.419: 0
: 2639:M 129 SER HA :M 38 VAL 1HG1 : -0.414: 0
: 2639:M 39 SER HA :M 128 VAL 1HG1 : -0.410: 0
: 2639:M 56 ILE 1HG2 :M 132 VAL 1HG1 : -0.404: 0
: 2639:M 62 ALA N :M 61 GLU CG : -0.400: 0
#sum2 ::15.54 clashscore : 15.54 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297070 potential dots:18570.0 A^2:41 bumps:41 bumps B<40:835.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 30 MET SD :M 63 TYR HA : -0.604: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.599: 0
: 2639:M 14 LEU CD1 :M 62 ALA 1HB : -0.418: 0
: 2639:M 120 MET SD :M 153 TYR HA : -0.596: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.595: 0
: 2639:M 104 LEU CD1 :M 152 ALA 1HB : -0.423: 0
: 2639:M 133 GLN 1HG :M 132 VAL 3HG1 : -0.530: 0
: 2639:M 128 VAL 2HG2 :M 146 ILE 3HG2 : -0.521: 0
: 2639:M 38 VAL 2HG2 :M 56 ILE 3HG2 : -0.521: 0
: 2639:M 143 LEU HA :M 146 ILE 2HD1 : -0.510: 0
: 2639:M 53 LEU HA :M 56 ILE 2HD1 : -0.497: 0
: 2639:M 43 GLN 1HG :M 42 VAL 3HG1 : -0.519: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.515: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.513: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.406: 0
: 2639:M 162 LYS CB :M 161 SER O : -0.510: 0
: 2639:M 161 SER 1HB :M 160 GLU O : -0.407: 0
: 2639:M 116 LYS O :M 108 ILE 2HG2 : -0.498: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.413: 0
: 2639:M 26 LYS O :M 18 ILE 2HG2 : -0.496: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.428: 0
: 2639:M 72 LYS CB :M 71 SER O : -0.494: 0
: 2639:M 70 GLU O :M 71 SER 1HB : -0.410: 0
: 2639:M 70 GLU O :M 71 SER CB : -0.401: 0
: 2639:M 45 GLN O :M 46 LEU C : -0.490: 0
: 2639:M 44 ASP O :M 45 GLN 2HB : -0.412: 0
: 2639:M 135 GLN O :M 136 LEU C : -0.478: 0
: 2639:M 134 ASP O :M 135 GLN 2HB : -0.429: 0
: 2639:M 138 LYS 2HB :M 141 VAL 3HG2 : -0.439: 0
: 2639:M 48 LYS 2HB :M 51 VAL 3HG2 : -0.434: 0
: 2639:M 157 LYS 1HE :M 157 LYS 2HB : -0.432: 0
: 2639:M 115 ASP O :M 119 ALA 2HB : -0.421: 0
: 2639:M 25 ASP O :M 29 ALA 2HB : -0.421: 0
: 2639:M 119 ALA HA :M 114 GLU 2HG : -0.412: 0
: 2639:M 29 ALA HA :M 24 GLU 2HG : -0.406: 0
: 2639:M 59 LEU 1HD2 :M 34 TYR HA : -0.408: 0
: 2639:M 149 LEU 1HD2 :M 124 TYR HA : -0.406: 0
#sum2 ::14.02 clashscore : 14.02 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:296511 potential dots:18530.0 A^2:37 bumps:37 bumps B<40:890.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 42 VAL O :M 42 VAL 2HG1 : -0.827: 0
: 2639:M 42 VAL O :M 42 VAL CG1 : -0.683: 0
: 2639:M 42 VAL 3HG1 :M 143 LEU 1HD1 : -0.402: 0
: 2639:M 132 VAL O :M 132 VAL 2HG1 : -0.825: 0
: 2639:M 132 VAL O :M 132 VAL CG1 : -0.680: 0
: 2639:M 116 LYS HA :M 108 ILE 2HG2 : -0.601: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.462: 0
: 2639:M 26 LYS HA :M 18 ILE 2HG2 : -0.597: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.457: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.560: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.455: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.545: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.467: 0
: 2639:M 107 HIS CG :M 114 GLU 1HB : -0.510: 0
: 2639:M 17 HIS CG :M 24 GLU 1HB : -0.509: 0
: 2639:M 14 LEU 1HD1 :M 62 ALA 1HB : -0.500: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.463: 0
: 2639:M 14 LEU CD1 :M 62 ALA 1HB : -0.462: 0
: 2639:M 59 LEU O :M 62 ALA 3HB : -0.409: 0
: 2639:M 104 LEU 1HD1 :M 152 ALA 1HB : -0.491: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.464: 0
: 2639:M 104 LEU CD1 :M 152 ALA 1HB : -0.455: 0
: 2639:M 37 VAL 1HG2 :M 33 TYR CE2 : -0.480: 0
: 2639:M 123 TYR CE2 :M 127 VAL 1HG2 : -0.476: 0
: 2639:M 35 ARG 2HH1 :M 121 ASN HA : -0.450: 0
: 2639:M 125 ARG 2HH1 :M 31 ASN HA : -0.447: 0
: 2639:M 31 ASN 2HB :M 121 ASN 2HB : -0.404: 0
: 2639:M 45 GLN 2HG :M 45 GLN O : -0.444: 0
: 2639:M 135 GLN 2HG :M 135 GLN O : -0.440: 0
: 2639:M 138 LYS 2HB :M 141 VAL 3HG2 : -0.430: 0
: 2639:M 48 LYS 2HB :M 51 VAL 3HG2 : -0.426: 0
: 2639:M 48 LYS 1HG :M 50 ALA H : -0.425: 0
: 2639:M 120 MET CE :M 153 TYR HA : -0.420: 0
: 2639:M 115 ASP 1HB :M 118 HIS 1HB : -0.411: 0
: 2639:M 25 ASP 1HB :M 28 HIS 1HB : -0.411: 0
: 2639:M 30 MET CE :M 63 TYR HA : -0.410: 0
: 2639:M 6 SER O :M 9 TYR 2HB : -0.410: 0
: 2639:M 99 TYR 2HB :M 96 SER O : -0.400: 0
#sum2 ::14.40 clashscore : 14.40 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297157 potential dots:18570.0 A^2:38 bumps:38 bumps B<40:898.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 120 MET SD :M 153 TYR HA : -0.677: 0
: 2639:M 153 TYR CD1 :M 153 TYR C : -0.605: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.562: 0
: 2639:M 120 MET CG :M 153 TYR HA : -0.417: 0
: 2639:M 120 MET SD :M 104 LEU CD1 : -0.410: 0
: 2639:M 30 MET SD :M 63 TYR HA : -0.675: 0
: 2639:M 63 TYR C :M 63 TYR CD1 : -0.612: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.553: 0
: 2639:M 30 MET CG :M 63 TYR HA : -0.424: 0
: 2639:M 30 MET SD :M 14 LEU CD1 : -0.416: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.522: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.479: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.516: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.479: 0
: 2639:M 26 LYS O :M 18 ILE 2HG2 : -0.515: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.461: 0
: 2639:M 116 LYS O :M 108 ILE 2HG2 : -0.512: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.471: 0
: 2639:M 129 SER 2HB :M 35 ARG HA : -0.486: 0
: 2639:M 129 SER CB :M 35 ARG HA : -0.427: 0
: 2639:M 125 ARG HA :M 39 SER 2HB : -0.473: 0
: 2639:M 125 ARG HA :M 39 SER CB : -0.419: 0
: 2639:M 48 LYS 2HB :M 51 VAL 3HG2 : -0.467: 0
: 2639:M 48 LYS 1HG :M 50 ALA H : -0.434: 0
: 2639:M 127 VAL 1HG2 :M 123 TYR CE1 : -0.461: 0
: 2639:M 138 LYS 2HB :M 141 VAL 3HG2 : -0.459: 0
: 2639:M 138 LYS 1HG :M 140 ALA H : -0.442: 0
: 2639:M 37 VAL 1HG2 :M 33 TYR CE1 : -0.454: 0
: 2639:M 23 SER 2HB :M 22 GLN O : -0.452: 0
: 2639:M 113 SER 2HB :M 112 GLN O : -0.452: 0
: 2639:M 46 LEU CD2 :M 46 LEU O : -0.407: 0
: 2639:M 136 LEU CD2 :M 136 LEU O : -0.406: 0
#sum2 ::12.13 clashscore : 12.13 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:296770 potential dots:18550.0 A^2:32 bumps:32 bumps B<40:788.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 42 VAL O :M 42 VAL 2HG1 : -0.829: 0
: 2639:M 42 VAL O :M 42 VAL CG1 : -0.691: 0
: 2639:M 42 VAL CG1 :M 147 GLN 1HG : -0.400: 0
: 2639:M 132 VAL O :M 132 VAL 2HG1 : -0.821: 0
: 2639:M 132 VAL O :M 132 VAL CG1 : -0.699: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.617: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.616: 0
: 2639:M 104 LEU CD1 :M 152 ALA 1HB : -0.410: 0
: 2639:M 116 LYS O :M 108 ILE 2HG2 : -0.580: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.466: 0
: 2639:M 109 GLU N :M 108 ILE CG1 : -0.408: 0
: 2639:M 26 LYS O :M 18 ILE 2HG2 : -0.574: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.488: 0
: 2639:M 19 GLU N :M 18 ILE CG1 : -0.410: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.526: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.442: 0
: 2639:M 99 TYR HH :M 91 MET N : -0.524: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.517: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.449: 0
: 2639:M 120 MET SD :M 153 TYR HA : -0.498: 0
: 2639:M 30 MET SD :M 63 TYR HA : -0.489: 0
: 2639:M 95 PHE 2HB :M 94 LEU O : -0.456: 0
: 2639:M 5 PHE 2HB :M 4 LEU O : -0.448: 0
: 2639:M 56 ILE HB :M 53 LEU 2HD1 : -0.438: 0
: 2639:M 146 ILE HB :M 143 LEU 2HD1 : -0.433: 0
: 2639:M 29 ALA HA :M 24 GLU 2HG : -0.431: 0
: 2639:M 37 VAL 1HG2 :M 33 TYR CE1 : -0.431: 0
: 2639:M 33 TYR OH :M 10 PHE HA : -0.410: 0
: 2639:M 25 ASP O :M 29 ALA 2HB : -0.408: 0
: 2639:M 127 VAL 1HG2 :M 123 TYR CE1 : -0.423: 0
: 2639:M 123 TYR OH :M 100 PHE HA : -0.411: 0
: 2639:M 119 ALA HA :M 114 GLU 2HG : -0.421: 0
: 2639:M 44 ASP O :M 45 GLN 2HB : -0.421: 0
: 2639:M 115 ASP O :M 119 ALA 2HB : -0.418: 0
: 2639:M 134 ASP O :M 135 GLN 2HB : -0.419: 0
#sum2 ::13.26 clashscore : 13.26 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297111 potential dots:18570.0 A^2:35 bumps:35 bumps B<40:883.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.560: 0
: 2639:M 104 LEU CD1 :M 152 ALA 1HB : -0.476: 0
: 2639:M 127 VAL 1HG2 :M 123 TYR CE1 : -0.445: 0
: 2639:M 104 LEU 1HD2 :M 123 TYR CD1 : -0.407: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.536: 0
: 2639:M 14 LEU CD1 :M 62 ALA 1HB : -0.471: 0
: 2639:M 37 VAL 1HG2 :M 33 TYR CE1 : -0.457: 0
: 2639:M 14 LEU 1HD2 :M 33 TYR CD1 : -0.403: 0
: 2639:M 164 GLU 1HB :M 163 LEU O : -0.507: 0
: 2639:M 74 GLU 1HB :M 73 LEU O : -0.505: 0
: 2639:M 66 VAL HB :M 30 MET SD : -0.486: 0
: 2639:M 156 VAL HB :M 120 MET SD : -0.485: 0
: 2639:M 6 SER O :M 9 TYR 2HB : -0.479: 0
: 2639:M 5 PHE O :M 6 SER CB : -0.475: 0
: 2639:M 5 PHE O :M 6 SER 2HB : -0.452: 0
: 2639:M 125 ARG O :M 125 ARG 1HD : -0.473: 0
: 2639:M 125 ARG 1HD :M 125 ARG C : -0.466: 0
: 2639:M 99 TYR 2HB :M 96 SER O : -0.472: 0
: 2639:M 96 SER CB :M 95 PHE O : -0.464: 0
: 2639:M 95 PHE O :M 96 SER 2HB : -0.453: 0
: 2639:M 35 ARG O :M 35 ARG 1HD : -0.468: 0
: 2639:M 35 ARG 1HD :M 35 ARG C : -0.462: 0
: 2639:M 58 HIS O :M 61 GLU 1HG : -0.467: 0
: 2639:M 29 ALA HA :M 24 GLU 2HG : -0.466: 0
: 2639:M 148 HIS O :M 151 GLU 1HG : -0.461: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.461: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.459: 0
: 2639:M 119 ALA HA :M 114 GLU 2HG : -0.458: 0
: 2639:M 25 ASP CB :M 28 HIS 2HB : -0.456: 0
: 2639:M 115 ASP CB :M 118 HIS 2HB : -0.453: 0
: 2639:M 38 VAL 1HG2 :M 34 TYR CE2 : -0.418: 0
: 2639:M 140 ALA H :M 138 LYS 1HG : -0.417: 0
: 2639:M 140 ALA O :M 144 LYS 2HG : -0.404: 0
: 2639:M 128 VAL 1HG2 :M 124 TYR CE2 : -0.413: 0
: 2639:M 48 LYS 1HG :M 50 ALA H : -0.409: 0
: 2639:M 54 LYS 2HG :M 50 ALA O : -0.403: 0
: 2639:M 53 LEU HA :M 56 ILE 2HD1 : -0.407: 0
: 2639:M 56 ILE HB :M 53 LEU 2HD1 : -0.400: 0
: 2639:M 143 LEU HA :M 146 ILE 2HD1 : -0.405: 0
#sum2 ::14.78 clashscore : 14.78 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297374 potential dots:18590.0 A^2:39 bumps:39 bumps B<40:866.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 136 LEU O :M 136 LEU 2HD1 : -0.722: 0
: 2639:M 46 LEU O :M 46 LEU 2HD1 : -0.718: 0
: 2639:M 163 LEU C :M 163 LEU 2HD1 : -0.613: 0
: 2639:M 163 LEU C :M 163 LEU CD1 : -0.408: 0
: 2639:M 120 MET SD :M 153 TYR HA : -0.608: 0
: 2639:M 30 MET SD :M 63 TYR HA : -0.603: 0
: 2639:M 73 LEU C :M 73 LEU 2HD1 : -0.598: 0
: 2639:M 73 LEU C :M 73 LEU CD1 : -0.401: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.577: 0
: 2639:M 104 LEU CD1 :M 152 ALA 1HB : -0.410: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.554: 0
: 2639:M 62 ALA 1HB :M 14 LEU CD1 : -0.418: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.539: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.511: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.533: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.508: 0
: 2639:M 26 LYS O :M 18 ILE 2HG2 : -0.505: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.455: 0
: 2639:M 19 GLU 2HG :M 18 ILE 2HG1 : -0.402: 0
: 2639:M 116 LYS O :M 108 ILE 2HG2 : -0.491: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.451: 0
: 2639:M 109 GLU 2HG :M 108 ILE 2HG1 : -0.404: 0
: 2639:M 48 LYS 1HG :M 50 ALA H : -0.474: 0
: 2639:M 48 LYS 2HB :M 51 VAL 3HG2 : -0.426: 0
: 2639:M 6 SER O :M 9 TYR 2HB : -0.473: 0
: 2639:M 138 LYS 1HG :M 140 ALA H : -0.470: 0
: 2639:M 99 TYR 2HB :M 96 SER O : -0.470: 0
: 2639:M 138 LYS 2HB :M 141 VAL 3HG2 : -0.427: 0
: 2639:M 37 VAL 1HG2 :M 33 TYR CE2 : -0.466: 0
: 2639:M 123 TYR CE2 :M 127 VAL 1HG2 : -0.466: 0
: 2639:M 2 SER O :M 3 GLU 1HB : -0.438: 0
: 2639:M 93 GLU 1HB :M 92 SER O : -0.431: 0
: 2639:M 53 LEU HA :M 56 ILE 2HD1 : -0.416: 0
: 2639:M 134 ASP N :M 130 THR O : -0.411: 0
: 2639:M 151 GLU 1HG :M 148 HIS O : -0.409: 0
: 2639:M 143 LEU HA :M 146 ILE 2HD1 : -0.407: 0
: 2639:M 58 HIS O :M 61 GLU 1HG : -0.402: 0
: 2639:M 44 ASP N :M 40 THR O : -0.400: 0
#sum2 ::14.40 clashscore : 14.40 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:296878 potential dots:18550.0 A^2:38 bumps:38 bumps B<40:843.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 53 LEU 3HD1 :M 53 LEU O : -0.775: 0
: 2639:M 143 LEU 3HD1 :M 143 LEU O : -0.763: 0
: 2639:M 53 LEU C :M 53 LEU 3HD1 : -0.571: 0
: 2639:M 143 LEU C :M 143 LEU 3HD1 : -0.568: 0
: 2639:M 143 LEU C :M 143 LEU CD1 : -0.410: 0
: 2639:M 53 LEU C :M 53 LEU CD1 : -0.403: 0
: 2639:M 53 LEU 3HD2 :M 143 LEU 3HD2 : -0.402: 0
: 2639:M 164 GLU O :M 164 GLU OE1 : -0.604: 0
: 2639:M 74 GLU O :M 74 GLU OE1 : -0.595: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.562: 0
: 2639:M 116 LYS HA :M 108 ILE 2HG2 : -0.557: 0
: 2639:M 108 ILE 2HG1 :M 109 GLU N : -0.518: 0
: 2639:M 108 ILE CG1 :M 109 GLU N : -0.416: 0
: 2639:M 26 LYS HA :M 18 ILE 2HG2 : -0.554: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.505: 0
: 2639:M 19 GLU N :M 18 ILE CG1 : -0.412: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.551: 0
: 2639:M 35 ARG 2HB :M 125 ARG 2HB : -0.537: 0
: 2639:M 122 SER O :M 125 ARG 1HG : -0.402: 0
: 2639:M 30 MET SD :M 63 TYR HA : -0.527: 0
: 2639:M 63 TYR HA :M 30 MET 1HG : -0.464: 0
: 2639:M 30 MET CG :M 63 TYR HA : -0.409: 0
: 2639:M 60 ASP O :M 63 TYR 2HB : -0.405: 0
: 2639:M 120 MET SD :M 153 TYR HA : -0.524: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.524: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.464: 0
: 2639:M 153 TYR HA :M 120 MET 1HG : -0.451: 0
: 2639:M 120 MET O :M 124 TYR N : -0.402: 0
: 2639:M 153 TYR HA :M 120 MET CG : -0.402: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.513: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.454: 0
: 2639:M 148 HIS O :M 151 GLU 1HG : -0.490: 0
: 2639:M 58 HIS O :M 61 GLU 1HG : -0.481: 0
: 2639:M 110 MET SD :M 106 GLN 2HG : -0.443: 0
: 2639:M 20 MET SD :M 16 GLN 2HG : -0.441: 0
: 2639:M 48 LYS 2HB :M 51 VAL 3HG2 : -0.421: 0
: 2639:M 25 ASP O :M 29 ALA 2HB : -0.419: 0
: 2639:M 115 ASP O :M 119 ALA 2HB : -0.412: 0
: 2639:M 141 VAL 3HG2 :M 138 LYS 2HB : -0.411: 0
#sum2 ::14.78 clashscore : 14.78 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:296807 potential dots:18550.0 A^2:39 bumps:39 bumps B<40:828.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 30 MET 3HE :M 30 MET HA : -0.698: 0
: 2639:M 30 MET CE :M 30 MET HA : -0.697: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.601: 0
: 2639:M 63 TYR C :M 63 TYR CD1 : -0.581: 0
: 2639:M 30 MET SD :M 63 TYR HA : -0.511: 0
: 2639:M 30 MET SD :M 14 LEU 2HD2 : -0.483: 0
: 2639:M 11 ILE 1HG1 :M 62 ALA HA : -0.470: 0
: 2639:M 30 MET CA :M 30 MET CE : -0.454: 0
: 2639:M 120 MET CE :M 120 MET HA : -0.697: 0
: 2639:M 120 MET 3HE :M 120 MET HA : -0.695: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.591: 0
: 2639:M 153 TYR CD1 :M 153 TYR C : -0.583: 0
: 2639:M 120 MET SD :M 153 TYR HA : -0.497: 0
: 2639:M 120 MET SD :M 104 LEU 2HD2 : -0.484: 0
: 2639:M 101 ILE 1HG1 :M 152 ALA HA : -0.479: 0
: 2639:M 120 MET CA :M 120 MET CE : -0.434: 0
: 2639:M 116 LYS O :M 108 ILE 2HG2 : -0.497: 0
: 2639:M 109 GLU N :M 108 ILE 2HG1 : -0.436: 0
: 2639:M 26 LYS O :M 18 ILE 2HG2 : -0.485: 0
: 2639:M 134 ASP O :M 135 GLN 2HB : -0.485: 0
: 2639:M 18 ILE 2HG1 :M 19 GLU N : -0.434: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.479: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.468: 0
: 2639:M 44 ASP O :M 45 GLN 2HB : -0.470: 0
: 2639:M 21 ASN 2HB :M 20 MET O : -0.470: 0
: 2639:M 17 HIS 2HB :M 24 GLU 2HB : -0.468: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.467: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.464: 0
: 2639:M 111 ASN 2HB :M 110 MET O : -0.461: 0
: 2639:M 107 HIS 2HB :M 114 GLU 2HB : -0.457: 0
: 2639:M 110 MET O :M 111 ASN CB : -0.411: 0
: 2639:M 111 ASN CA :M 107 HIS O : -0.407: 0
: 2639:M 25 ASP O :M 29 ALA 2HB : -0.418: 0
: 2639:M 138 LYS 1HG :M 140 ALA H : -0.417: 0
: 2639:M 48 LYS 1HG :M 50 ALA H : -0.413: 0
: 2639:M 115 ASP O :M 119 ALA 2HB : -0.411: 0
: 2639:M 148 HIS O :M 151 GLU 1HG : -0.410: 0
: 2639:M 61 GLU 1HG :M 58 HIS O : -0.405: 0
#sum2 ::14.40 clashscore : 14.40 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297001 potential dots:18560.0 A^2:38 bumps:38 bumps B<40:832.6 score
Output from PDB validation software
Summary from PDB validation
May. 14, 14:32:30 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
Chain Atom Res Seq Chain Atom Res Seq Mol_ID Distance
-------------------------------------------------------------------------
A O LEU 53 - A H GLN 57 7 Dist = 1.55
B O LEU 53 - B H GLN 57 7 Dist = 1.55
A O LEU 53 - A H GLN 57 17 Dist = 1.57
B O LEU 53 - B H GLN 57 17 Dist = 1.57
B O LEU 53 - B H GLN 57 16 Dist = 1.57
A O LEU 53 - A H GLN 57 16 Dist = 1.57
A O LEU 53 - A H GLN 57 1 Dist = 1.58
B O LEU 53 - B H GLN 57 1 Dist = 1.58
A O LEU 53 - A H GLN 57 5 Dist = 1.58
B O LEU 53 - B H GLN 57 5 Dist = 1.59
B O LEU 53 - B H GLN 57 8 Dist = 1.59
A O LEU 53 - A H GLN 57 8 Dist = 1.59
B O MET 30 - B H TYR 34 15 Dist = 1.59
A O MET 30 - A H TYR 34 15 Dist = 1.59
B O VAL 37 - B H LEU 41 9 Dist = 1.60
A O VAL 37 - A H LEU 41 9 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 0.010 Angstroms
The following table contains a list of the covalent bonds
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 Bond Dictionary
Name ID Number Distance Value
------------------------------------------------------------------------
0.069 GLN A 45 12 N - CA 1.527 1.458
0.068 GLN B 45 12 N - CA 1.526 1.458
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.8 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-4.8 MET A 20 2 CA - CB - CG 109.3 114.1
-4.6 TYR A 33 2 CA - CB - CG 109.3 113.9
-4.8 MET B 20 2 CA - CB - CG 109.3 114.1
-6.6 LEU A 14 3 CA - CB - CG 109.7 116.3
-4.9 TYR A 33 3 CA - CB - CG 109.0 113.9
-6.6 LEU B 14 3 CA - CB - CG 109.7 116.3
-4.9 TYR B 33 3 CA - CB - CG 109.0 113.9
-6.4 LEU A 14 4 CA - CB - CG 109.9 116.3
-4.7 TYR A 33 4 CA - CB - CG 109.2 113.9
-5.2 LEU A 53 4 CA - CB - CG 111.1 116.3
-5.1 LYS A 67 4 CA - CB - CG 109.0 114.1
-6.5 LEU B 14 4 CA - CB - CG 109.8 116.3
-4.7 TYR B 33 4 CA - CB - CG 109.2 113.9
-5.2 LEU B 53 4 CA - CB - CG 111.1 116.3
-5.2 LYS B 67 4 CA - CB - CG 108.9 114.1
-4.6 LEU A 53 5 CA - CB - CG 111.7 116.3
-4.7 TYR A 33 6 CA - CB - CG 109.2 113.9
-5.6 LYS A 67 6 CA - CB - CG 108.5 114.1
-4.8 TYR B 33 6 CA - CB - CG 109.1 113.9
-5.6 LYS B 67 6 CA - CB - CG 108.5 114.1
-6.5 LEU A 14 7 CA - CB - CG 109.8 116.3
-6.5 LEU B 14 7 CA - CB - CG 109.8 116.3
-6.6 LEU A 14 8 CA - CB - CG 109.7 116.3
-6.6 LEU B 14 8 CA - CB - CG 109.7 116.3
-6.4 LEU A 14 9 CA - CB - CG 109.9 116.3
-6.0 LEU A 59 9 CA - CB - CG 110.3 116.3
-5.0 LYS A 67 9 CA - CB - CG 109.1 114.1
-6.5 LEU B 14 9 CA - CB - CG 109.8 116.3
-6.0 LEU B 59 9 CA - CB - CG 110.3 116.3
-5.0 LYS B 67 9 CA - CB - CG 109.1 114.1
-6.7 LEU A 14 10 CA - CB - CG 109.6 116.3
-4.8 MET A 20 10 CA - CB - CG 109.3 114.1
-6.7 LEU B 14 10 CA - CB - CG 109.6 116.3
-4.8 MET B 20 10 CA - CB - CG 109.3 114.1
-6.3 LEU A 14 11 CA - CB - CG 110.0 116.3
-4.8 TYR A 33 11 CA - CB - CG 109.1 113.9
-5.3 LYS A 67 11 CA - CB - CG 108.8 114.1
-6.2 LEU B 14 11 CA - CB - CG 110.1 116.3
-4.8 TYR B 33 11 CA - CB - CG 109.1 113.9
-5.3 LYS B 67 11 CA - CB - CG 108.8 114.1
-6.5 LEU A 14 12 CA - CB - CG 109.8 116.3
-4.8 MET A 20 12 CA - CB - CG 109.3 114.1
-4.8 TYR A 33 12 CA - CB - CG 109.1 113.9
-5.0 LYS A 67 12 CA - CB - CG 109.1 114.1
-6.6 LEU A 73 12 CA - CB - CG 109.7 116.3
-6.5 LEU B 14 12 CA - CB - CG 109.8 116.3
-4.8 MET B 20 12 CA - CB - CG 109.3 114.1
-4.8 TYR B 33 12 CA - CB - CG 109.1 113.9
-5.0 LYS B 67 12 CA - CB - CG 109.1 114.1
-6.6 LEU B 73 12 CA - CB - CG 109.7 116.3
-6.4 LEU A 14 13 CA - CB - CG 109.9 116.3
-4.8 TYR A 33 13 CA - CB - CG 109.1 113.9
-5.3 LEU A 53 13 CA - CB - CG 111.0 116.3
-6.4 LEU B 14 13 CA - CB - CG 109.9 116.3
-4.8 TYR B 33 13 CA - CB - CG 109.1 113.9
-5.3 LEU B 53 13 CA - CB - CG 111.0 116.3
-4.8 GLU A 70 14 CA - CB - CG 109.3 114.1
-4.8 GLU B 70 14 CA - CB - CG 109.3 114.1
-4.6 TYR A 33 15 CA - CB - CG 109.3 113.9
-4.6 TYR B 33 15 CA - CB - CG 109.3 113.9
-6.5 LEU A 14 16 CA - CB - CG 109.8 116.3
-4.8 MET A 20 16 CA - CB - CG 109.3 114.1
-6.5 LEU B 14 16 CA - CB - CG 109.8 116.3
-4.8 MET B 20 16 CA - CB - CG 109.3 114.1
-6.3 LEU A 14 17 CA - CB - CG 110.0 116.3
-4.7 TYR A 33 17 CA - CB - CG 109.2 113.9
-6.3 LEU B 14 17 CA - CB - CG 110.0 116.3
-4.6 TYR B 33 17 CA - CB - CG 109.3 113.9
-5.6 LEU A 73 18 CA - CB - CG 110.7 116.3
-5.6 LEU B 73 18 CA - CB - CG 110.7 116.3
-6.7 LEU A 14 19 CA - CB - CG 109.6 116.3
-4.8 MET A 20 19 CA - CB - CG 109.3 114.1
-5.1 LEU A 53 19 CA - CB - CG 111.2 116.3
-6.7 LEU B 14 19 CA - CB - CG 109.6 116.3
-4.8 MET B 20 19 CA - CB - CG 109.3 114.1
-5.0 LEU B 53 19 CA - CB - CG 111.3 116.3
-6.0 LEU A 14 20 CA - CB - CG 110.3 116.3
-6.1 LEU B 14 20 CA - CB - CG 110.2 116.3
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 13 1HD2
1 A ASN 13 2HD2
1 A GLN 16 1HE2
1 A GLN 16 2HE2
1 A ASN 21 1HD2
1 A ASN 21 2HD2
1 A GLN 22 1HE2
1 A GLN 22 2HE2
1 A ASN 31 1HD2
1 A ASN 31 2HD2
1 A GLN 43 1HE2
1 A GLN 43 2HE2
1 A GLN 45 1HE2
1 A GLN 45 2HE2
1 A ASN 49 1HD2
1 A ASN 49 2HD2
1 A GLN 57 1HE2
1 A GLN 57 2HE2
1 A ASN 64 1HD2
1 A ASN 64 2HD2
1 B ASN 13 1HD2
1 B ASN 13 2HD2
1 B GLN 16 1HE2
1 B GLN 16 2HE2
1 B ASN 21 1HD2
1 B ASN 21 2HD2
1 B GLN 22 1HE2
1 B GLN 22 2HE2
1 B ASN 31 1HD2
1 B ASN 31 2HD2
1 B GLN 43 1HE2
1 B GLN 43 2HE2
1 B GLN 45 1HE2
1 B GLN 45 2HE2
1 B ASN 49 1HD2
1 B ASN 49 2HD2
1 B GLN 57 1HE2
1 B GLN 57 2HE2
1 B ASN 64 1HD2
1 B ASN 64 2HD2
2 A ASN 13 1HD2
2 A ASN 13 2HD2
2 A GLN 16 1HE2
2 A GLN 16 2HE2
2 A ASN 21 1HD2
2 A ASN 21 2HD2
2 A GLN 22 1HE2
2 A GLN 22 2HE2
2 A ASN 31 1HD2
2 A ASN 31 2HD2
2 A GLN 43 1HE2
2 A GLN 43 2HE2
2 A GLN 45 1HE2
2 A GLN 45 2HE2
2 A ASN 49 1HD2
2 A ASN 49 2HD2
2 A GLN 57 1HE2
2 A GLN 57 2HE2
2 A ASN 64 1HD2
2 A ASN 64 2HD2
2 B ASN 13 1HD2
2 B ASN 13 2HD2
2 B GLN 16 1HE2
2 B GLN 16 2HE2
2 B ASN 21 1HD2
2 B ASN 21 2HD2
2 B GLN 22 1HE2
2 B GLN 22 2HE2
2 B ASN 31 1HD2
2 B ASN 31 2HD2
2 B GLN 43 1HE2
2 B GLN 43 2HE2
2 B GLN 45 1HE2
2 B GLN 45 2HE2
2 B ASN 49 1HD2
2 B ASN 49 2HD2
2 B GLN 57 1HE2
2 B GLN 57 2HE2
2 B ASN 64 1HD2
2 B ASN 64 2HD2
3 A ASN 13 1HD2
3 A ASN 13 2HD2
3 A GLN 16 1HE2
3 A GLN 16 2HE2
3 A ASN 21 1HD2
3 A ASN 21 2HD2
3 A GLN 22 1HE2
3 A GLN 22 2HE2
3 A ASN 31 1HD2
3 A ASN 31 2HD2
3 A GLN 43 1HE2
3 A GLN 43 2HE2
3 A GLN 45 1HE2
3 A GLN 45 2HE2
3 A ASN 49 1HD2
3 A ASN 49 2HD2
3 A GLN 57 1HE2
3 A GLN 57 2HE2
3 A ASN 64 1HD2
3 A ASN 64 2HD2
3 B ASN 13 1HD2
3 B ASN 13 2HD2
3 B GLN 16 1HE2
3 B GLN 16 2HE2
3 B ASN 21 1HD2
3 B ASN 21 2HD2
3 B GLN 22 1HE2
3 B GLN 22 2HE2
3 B ASN 31 1HD2
3 B ASN 31 2HD2
3 B GLN 43 1HE2
3 B GLN 43 2HE2
3 B GLN 45 1HE2
3 B GLN 45 2HE2
3 B ASN 49 1HD2
3 B ASN 49 2HD2
3 B GLN 57 1HE2
3 B GLN 57 2HE2
3 B ASN 64 1HD2
3 B ASN 64 2HD2
4 A ASN 13 1HD2
4 A ASN 13 2HD2
4 A GLN 16 1HE2
4 A GLN 16 2HE2
4 A ASN 21 1HD2
4 A ASN 21 2HD2
4 A GLN 22 1HE2
4 A GLN 22 2HE2
4 A ASN 31 1HD2
4 A ASN 31 2HD2
4 A GLN 43 1HE2
4 A GLN 43 2HE2
4 A GLN 45 1HE2
4 A GLN 45 2HE2
4 A ASN 49 1HD2
4 A ASN 49 2HD2
4 A GLN 57 1HE2
4 A GLN 57 2HE2
4 A ASN 64 1HD2
4 A ASN 64 2HD2
4 B ASN 13 1HD2
4 B ASN 13 2HD2
4 B GLN 16 1HE2
4 B GLN 16 2HE2
4 B ASN 21 1HD2
4 B ASN 21 2HD2
4 B GLN 22 1HE2
4 B GLN 22 2HE2
4 B ASN 31 1HD2
4 B ASN 31 2HD2
4 B GLN 43 1HE2
4 B GLN 43 2HE2
4 B GLN 45 1HE2
4 B GLN 45 2HE2
4 B ASN 49 1HD2
4 B ASN 49 2HD2
4 B GLN 57 1HE2
4 B GLN 57 2HE2
4 B ASN 64 1HD2
4 B ASN 64 2HD2
5 A ASN 13 1HD2
5 A ASN 13 2HD2
5 A GLN 16 1HE2
5 A GLN 16 2HE2
5 A ASN 21 1HD2
5 A ASN 21 2HD2
5 A GLN 22 1HE2
5 A GLN 22 2HE2
5 A ASN 31 1HD2
5 A ASN 31 2HD2
5 A GLN 43 1HE2
5 A GLN 43 2HE2
5 A GLN 45 1HE2
5 A GLN 45 2HE2
5 A ASN 49 1HD2
5 A ASN 49 2HD2
5 A GLN 57 1HE2
5 A GLN 57 2HE2
5 A ASN 64 1HD2
5 A ASN 64 2HD2
5 B ASN 13 1HD2
5 B ASN 13 2HD2
5 B GLN 16 1HE2
5 B GLN 16 2HE2
5 B ASN 21 1HD2
5 B ASN 21 2HD2
5 B GLN 22 1HE2
5 B GLN 22 2HE2
5 B ASN 31 1HD2
5 B ASN 31 2HD2
5 B GLN 43 1HE2
5 B GLN 43 2HE2
5 B GLN 45 1HE2
5 B GLN 45 2HE2
5 B ASN 49 1HD2
5 B ASN 49 2HD2
5 B GLN 57 1HE2
5 B GLN 57 2HE2
5 B ASN 64 1HD2
5 B ASN 64 2HD2
6 A ASN 13 1HD2
6 A ASN 13 2HD2
6 A GLN 16 1HE2
6 A GLN 16 2HE2
6 A ASN 21 1HD2
6 A ASN 21 2HD2
6 A GLN 22 1HE2
6 A GLN 22 2HE2
6 A ASN 31 1HD2
6 A ASN 31 2HD2
6 A GLN 43 1HE2
6 A GLN 43 2HE2
6 A GLN 45 1HE2
6 A GLN 45 2HE2
6 A ASN 49 1HD2
6 A ASN 49 2HD2
6 A GLN 57 1HE2
6 A GLN 57 2HE2
6 A ASN 64 1HD2
6 A ASN 64 2HD2
6 B ASN 13 1HD2
6 B ASN 13 2HD2
6 B GLN 16 1HE2
6 B GLN 16 2HE2
6 B ASN 21 1HD2
6 B ASN 21 2HD2
6 B GLN 22 1HE2
6 B GLN 22 2HE2
6 B ASN 31 1HD2
6 B ASN 31 2HD2
6 B GLN 43 1HE2
6 B GLN 43 2HE2
6 B GLN 45 1HE2
6 B GLN 45 2HE2
6 B ASN 49 1HD2
6 B ASN 49 2HD2
6 B GLN 57 1HE2
6 B GLN 57 2HE2
6 B ASN 64 1HD2
6 B ASN 64 2HD2
7 A ASN 13 1HD2
7 A ASN 13 2HD2
7 A GLN 16 1HE2
7 A GLN 16 2HE2
7 A ASN 21 1HD2
7 A ASN 21 2HD2
7 A GLN 22 1HE2
7 A GLN 22 2HE2
7 A ASN 31 1HD2
7 A ASN 31 2HD2
7 A GLN 43 1HE2
7 A GLN 43 2HE2
7 A GLN 45 1HE2
7 A GLN 45 2HE2
7 A ASN 49 1HD2
7 A ASN 49 2HD2
7 A GLN 57 1HE2
7 A GLN 57 2HE2
7 A ASN 64 1HD2
7 A ASN 64 2HD2
7 B ASN 13 1HD2
7 B ASN 13 2HD2
7 B GLN 16 1HE2
7 B GLN 16 2HE2
7 B ASN 21 1HD2
7 B ASN 21 2HD2
7 B GLN 22 1HE2
7 B GLN 22 2HE2
7 B ASN 31 1HD2
7 B ASN 31 2HD2
7 B GLN 43 1HE2
7 B GLN 43 2HE2
7 B GLN 45 1HE2
7 B GLN 45 2HE2
7 B ASN 49 1HD2
7 B ASN 49 2HD2
7 B GLN 57 1HE2
7 B GLN 57 2HE2
7 B ASN 64 1HD2
7 B ASN 64 2HD2
8 A ASN 13 1HD2
8 A ASN 13 2HD2
8 A GLN 16 1HE2
8 A GLN 16 2HE2
8 A ASN 21 1HD2
8 A ASN 21 2HD2
8 A GLN 22 1HE2
8 A GLN 22 2HE2
8 A ASN 31 1HD2
8 A ASN 31 2HD2
8 A GLN 43 1HE2
8 A GLN 43 2HE2
8 A GLN 45 1HE2
8 A GLN 45 2HE2
8 A ASN 49 1HD2
8 A ASN 49 2HD2
8 A GLN 57 1HE2
8 A GLN 57 2HE2
8 A ASN 64 1HD2
8 A ASN 64 2HD2
8 B ASN 13 1HD2
8 B ASN 13 2HD2
8 B GLN 16 1HE2
8 B GLN 16 2HE2
8 B ASN 21 1HD2
8 B ASN 21 2HD2
8 B GLN 22 1HE2
8 B GLN 22 2HE2
8 B ASN 31 1HD2
8 B ASN 31 2HD2
8 B GLN 43 1HE2
8 B GLN 43 2HE2
8 B GLN 45 1HE2
8 B GLN 45 2HE2
8 B ASN 49 1HD2
8 B ASN 49 2HD2
8 B GLN 57 1HE2
8 B GLN 57 2HE2
8 B ASN 64 1HD2
8 B ASN 64 2HD2
9 A ASN 13 1HD2
9 A ASN 13 2HD2
9 A GLN 16 1HE2
9 A GLN 16 2HE2
9 A ASN 21 1HD2
9 A ASN 21 2HD2
9 A GLN 22 1HE2
9 A GLN 22 2HE2
9 A ASN 31 1HD2
9 A ASN 31 2HD2
9 A GLN 43 1HE2
9 A GLN 43 2HE2
9 A GLN 45 1HE2
9 A GLN 45 2HE2
9 A ASN 49 1HD2
9 A ASN 49 2HD2
9 A GLN 57 1HE2
9 A GLN 57 2HE2
9 A ASN 64 1HD2
9 A ASN 64 2HD2
9 B ASN 13 1HD2
9 B ASN 13 2HD2
9 B GLN 16 1HE2
9 B GLN 16 2HE2
9 B ASN 21 1HD2
9 B ASN 21 2HD2
9 B GLN 22 1HE2
9 B GLN 22 2HE2
9 B ASN 31 1HD2
9 B ASN 31 2HD2
9 B GLN 43 1HE2
9 B GLN 43 2HE2
9 B GLN 45 1HE2
9 B GLN 45 2HE2
9 B ASN 49 1HD2
9 B ASN 49 2HD2
9 B GLN 57 1HE2
9 B GLN 57 2HE2
9 B ASN 64 1HD2
9 B ASN 64 2HD2
10 A ASN 13 1HD2
10 A ASN 13 2HD2
10 A GLN 16 1HE2
10 A GLN 16 2HE2
10 A ASN 21 1HD2
10 A ASN 21 2HD2
10 A GLN 22 1HE2
10 A GLN 22 2HE2
10 A ASN 31 1HD2
10 A ASN 31 2HD2
10 A GLN 43 1HE2
10 A GLN 43 2HE2
10 A GLN 45 1HE2
10 A GLN 45 2HE2
10 A ASN 49 1HD2
10 A ASN 49 2HD2
10 A GLN 57 1HE2
10 A GLN 57 2HE2
10 A ASN 64 1HD2
10 A ASN 64 2HD2
10 B ASN 13 1HD2
10 B ASN 13 2HD2
10 B GLN 16 1HE2
10 B GLN 16 2HE2
10 B ASN 21 1HD2
10 B ASN 21 2HD2
10 B GLN 22 1HE2
10 B GLN 22 2HE2
10 B ASN 31 1HD2
10 B ASN 31 2HD2
10 B GLN 43 1HE2
10 B GLN 43 2HE2
10 B GLN 45 1HE2
10 B GLN 45 2HE2
10 B ASN 49 1HD2
10 B ASN 49 2HD2
10 B GLN 57 1HE2
10 B GLN 57 2HE2
10 B ASN 64 1HD2
10 B ASN 64 2HD2
11 A ASN 13 1HD2
11 A ASN 13 2HD2
11 A GLN 16 1HE2
11 A GLN 16 2HE2
11 A ASN 21 1HD2
11 A ASN 21 2HD2
11 A GLN 22 1HE2
11 A GLN 22 2HE2
11 A ASN 31 1HD2
11 A ASN 31 2HD2
11 A GLN 43 1HE2
11 A GLN 43 2HE2
11 A GLN 45 1HE2
11 A GLN 45 2HE2
11 A ASN 49 1HD2
11 A ASN 49 2HD2
11 A GLN 57 1HE2
11 A GLN 57 2HE2
11 A ASN 64 1HD2
11 A ASN 64 2HD2
11 B ASN 13 1HD2
11 B ASN 13 2HD2
11 B GLN 16 1HE2
11 B GLN 16 2HE2
11 B ASN 21 1HD2
11 B ASN 21 2HD2
11 B GLN 22 1HE2
11 B GLN 22 2HE2
11 B ASN 31 1HD2
11 B ASN 31 2HD2
11 B GLN 43 1HE2
11 B GLN 43 2HE2
11 B GLN 45 1HE2
11 B GLN 45 2HE2
11 B ASN 49 1HD2
11 B ASN 49 2HD2
11 B GLN 57 1HE2
11 B GLN 57 2HE2
11 B ASN 64 1HD2
11 B ASN 64 2HD2
12 A ASN 13 1HD2
12 A ASN 13 2HD2
12 A GLN 16 1HE2
12 A GLN 16 2HE2
12 A ASN 21 1HD2
12 A ASN 21 2HD2
12 A GLN 22 1HE2
12 A GLN 22 2HE2
12 A ASN 31 1HD2
12 A ASN 31 2HD2
12 A GLN 43 1HE2
12 A GLN 43 2HE2
12 A GLN 45 1HE2
12 A GLN 45 2HE2
12 A ASN 49 1HD2
12 A ASN 49 2HD2
12 A GLN 57 1HE2
12 A GLN 57 2HE2
12 A ASN 64 1HD2
12 A ASN 64 2HD2
12 B ASN 13 1HD2
12 B ASN 13 2HD2
12 B GLN 16 1HE2
12 B GLN 16 2HE2
12 B ASN 21 1HD2
12 B ASN 21 2HD2
12 B GLN 22 1HE2
12 B GLN 22 2HE2
12 B ASN 31 1HD2
12 B ASN 31 2HD2
12 B GLN 43 1HE2
12 B GLN 43 2HE2
12 B GLN 45 1HE2
12 B GLN 45 2HE2
12 B ASN 49 1HD2
12 B ASN 49 2HD2
12 B GLN 57 1HE2
12 B GLN 57 2HE2
12 B ASN 64 1HD2
12 B ASN 64 2HD2
13 A ASN 13 1HD2
13 A ASN 13 2HD2
13 A GLN 16 1HE2
13 A GLN 16 2HE2
13 A ASN 21 1HD2
13 A ASN 21 2HD2
13 A GLN 22 1HE2
13 A GLN 22 2HE2
13 A ASN 31 1HD2
13 A ASN 31 2HD2
13 A GLN 43 1HE2
13 A GLN 43 2HE2
13 A GLN 45 1HE2
13 A GLN 45 2HE2
13 A ASN 49 1HD2
13 A ASN 49 2HD2
13 A GLN 57 1HE2
13 A GLN 57 2HE2
13 A ASN 64 1HD2
13 A ASN 64 2HD2
13 B ASN 13 1HD2
13 B ASN 13 2HD2
13 B GLN 16 1HE2
13 B GLN 16 2HE2
13 B ASN 21 1HD2
13 B ASN 21 2HD2
13 B GLN 22 1HE2
13 B GLN 22 2HE2
13 B ASN 31 1HD2
13 B ASN 31 2HD2
13 B GLN 43 1HE2
13 B GLN 43 2HE2
13 B GLN 45 1HE2
13 B GLN 45 2HE2
13 B ASN 49 1HD2
13 B ASN 49 2HD2
13 B GLN 57 1HE2
13 B GLN 57 2HE2
13 B ASN 64 1HD2
13 B ASN 64 2HD2
14 A ASN 13 1HD2
14 A ASN 13 2HD2
14 A GLN 16 1HE2
14 A GLN 16 2HE2
14 A ASN 21 1HD2
14 A ASN 21 2HD2
14 A GLN 22 1HE2
14 A GLN 22 2HE2
14 A ASN 31 1HD2
14 A ASN 31 2HD2
14 A GLN 43 1HE2
14 A GLN 43 2HE2
14 A GLN 45 1HE2
14 A GLN 45 2HE2
14 A ASN 49 1HD2
14 A ASN 49 2HD2
14 A GLN 57 1HE2
14 A GLN 57 2HE2
14 A ASN 64 1HD2
14 A ASN 64 2HD2
14 B ASN 13 1HD2
14 B ASN 13 2HD2
14 B GLN 16 1HE2
14 B GLN 16 2HE2
14 B ASN 21 1HD2
14 B ASN 21 2HD2
14 B GLN 22 1HE2
14 B GLN 22 2HE2
14 B ASN 31 1HD2
14 B ASN 31 2HD2
14 B GLN 43 1HE2
14 B GLN 43 2HE2
14 B GLN 45 1HE2
14 B GLN 45 2HE2
14 B ASN 49 1HD2
14 B ASN 49 2HD2
14 B GLN 57 1HE2
14 B GLN 57 2HE2
14 B ASN 64 1HD2
14 B ASN 64 2HD2
15 A ASN 13 1HD2
15 A ASN 13 2HD2
15 A GLN 16 1HE2
15 A GLN 16 2HE2
15 A ASN 21 1HD2
15 A ASN 21 2HD2
15 A GLN 22 1HE2
15 A GLN 22 2HE2
15 A ASN 31 1HD2
15 A ASN 31 2HD2
15 A GLN 43 1HE2
15 A GLN 43 2HE2
15 A GLN 45 1HE2
15 A GLN 45 2HE2
15 A ASN 49 1HD2
15 A ASN 49 2HD2
15 A GLN 57 1HE2
15 A GLN 57 2HE2
15 A ASN 64 1HD2
15 A ASN 64 2HD2
15 B ASN 13 1HD2
15 B ASN 13 2HD2
15 B GLN 16 1HE2
15 B GLN 16 2HE2
15 B ASN 21 1HD2
15 B ASN 21 2HD2
15 B GLN 22 1HE2
15 B GLN 22 2HE2
15 B ASN 31 1HD2
15 B ASN 31 2HD2
15 B GLN 43 1HE2
15 B GLN 43 2HE2
15 B GLN 45 1HE2
15 B GLN 45 2HE2
15 B ASN 49 1HD2
15 B ASN 49 2HD2
15 B GLN 57 1HE2
15 B GLN 57 2HE2
15 B ASN 64 1HD2
15 B ASN 64 2HD2
16 A ASN 13 1HD2
16 A ASN 13 2HD2
16 A GLN 16 1HE2
16 A GLN 16 2HE2
16 A ASN 21 1HD2
16 A ASN 21 2HD2
16 A GLN 22 1HE2
16 A GLN 22 2HE2
16 A ASN 31 1HD2
16 A ASN 31 2HD2
16 A GLN 43 1HE2
16 A GLN 43 2HE2
16 A GLN 45 1HE2
16 A GLN 45 2HE2
16 A ASN 49 1HD2
16 A ASN 49 2HD2
16 A GLN 57 1HE2
16 A GLN 57 2HE2
16 A ASN 64 1HD2
16 A ASN 64 2HD2
16 B ASN 13 1HD2
16 B ASN 13 2HD2
16 B GLN 16 1HE2
16 B GLN 16 2HE2
16 B ASN 21 1HD2
16 B ASN 21 2HD2
16 B GLN 22 1HE2
16 B GLN 22 2HE2
16 B ASN 31 1HD2
16 B ASN 31 2HD2
16 B GLN 43 1HE2
16 B GLN 43 2HE2
16 B GLN 45 1HE2
16 B GLN 45 2HE2
16 B ASN 49 1HD2
16 B ASN 49 2HD2
16 B GLN 57 1HE2
16 B GLN 57 2HE2
16 B ASN 64 1HD2
16 B ASN 64 2HD2
17 A ASN 13 1HD2
17 A ASN 13 2HD2
17 A GLN 16 1HE2
17 A GLN 16 2HE2
17 A ASN 21 1HD2
17 A ASN 21 2HD2
17 A GLN 22 1HE2
17 A GLN 22 2HE2
17 A ASN 31 1HD2
17 A ASN 31 2HD2
17 A GLN 43 1HE2
17 A GLN 43 2HE2
17 A GLN 45 1HE2
17 A GLN 45 2HE2
17 A ASN 49 1HD2
17 A ASN 49 2HD2
17 A GLN 57 1HE2
17 A GLN 57 2HE2
17 A ASN 64 1HD2
17 A ASN 64 2HD2
17 B ASN 13 1HD2
17 B ASN 13 2HD2
17 B GLN 16 1HE2
17 B GLN 16 2HE2
17 B ASN 21 1HD2
17 B ASN 21 2HD2
17 B GLN 22 1HE2
17 B GLN 22 2HE2
17 B ASN 31 1HD2
17 B ASN 31 2HD2
17 B GLN 43 1HE2
17 B GLN 43 2HE2
17 B GLN 45 1HE2
17 B GLN 45 2HE2
17 B ASN 49 1HD2
17 B ASN 49 2HD2
17 B GLN 57 1HE2
17 B GLN 57 2HE2
17 B ASN 64 1HD2
17 B ASN 64 2HD2
18 A ASN 13 1HD2
18 A ASN 13 2HD2
18 A GLN 16 1HE2
18 A GLN 16 2HE2
18 A ASN 21 1HD2
18 A ASN 21 2HD2
18 A GLN 22 1HE2
18 A GLN 22 2HE2
18 A ASN 31 1HD2
18 A ASN 31 2HD2
18 A GLN 43 1HE2
18 A GLN 43 2HE2
18 A GLN 45 1HE2
18 A GLN 45 2HE2
18 A ASN 49 1HD2
18 A ASN 49 2HD2
18 A GLN 57 1HE2
18 A GLN 57 2HE2
18 A ASN 64 1HD2
18 A ASN 64 2HD2
18 B ASN 13 1HD2
18 B ASN 13 2HD2
18 B GLN 16 1HE2
18 B GLN 16 2HE2
18 B ASN 21 1HD2
18 B ASN 21 2HD2
18 B GLN 22 1HE2
18 B GLN 22 2HE2
18 B ASN 31 1HD2
18 B ASN 31 2HD2
18 B GLN 43 1HE2
18 B GLN 43 2HE2
18 B GLN 45 1HE2
18 B GLN 45 2HE2
18 B ASN 49 1HD2
18 B ASN 49 2HD2
18 B GLN 57 1HE2
18 B GLN 57 2HE2
18 B ASN 64 1HD2
18 B ASN 64 2HD2
19 A ASN 13 1HD2
19 A ASN 13 2HD2
19 A GLN 16 1HE2
19 A GLN 16 2HE2
19 A ASN 21 1HD2
19 A ASN 21 2HD2
19 A GLN 22 1HE2
19 A GLN 22 2HE2
19 A ASN 31 1HD2
19 A ASN 31 2HD2
19 A GLN 43 1HE2
19 A GLN 43 2HE2
19 A GLN 45 1HE2
19 A GLN 45 2HE2
19 A ASN 49 1HD2
19 A ASN 49 2HD2
19 A GLN 57 1HE2
19 A GLN 57 2HE2
19 A ASN 64 1HD2
19 A ASN 64 2HD2
19 B ASN 13 1HD2
19 B ASN 13 2HD2
19 B GLN 16 1HE2
19 B GLN 16 2HE2
19 B ASN 21 1HD2
19 B ASN 21 2HD2
19 B GLN 22 1HE2
19 B GLN 22 2HE2
19 B ASN 31 1HD2
19 B ASN 31 2HD2
19 B GLN 43 1HE2
19 B GLN 43 2HE2
19 B GLN 45 1HE2
19 B GLN 45 2HE2
19 B ASN 49 1HD2
19 B ASN 49 2HD2
19 B GLN 57 1HE2
19 B GLN 57 2HE2
19 B ASN 64 1HD2
19 B ASN 64 2HD2
20 A ASN 13 1HD2
20 A ASN 13 2HD2
20 A GLN 16 1HE2
20 A GLN 16 2HE2
20 A ASN 21 1HD2
20 A ASN 21 2HD2
20 A GLN 22 1HE2
20 A GLN 22 2HE2
20 A ASN 31 1HD2
20 A ASN 31 2HD2
20 A GLN 43 1HE2
20 A GLN 43 2HE2
20 A GLN 45 1HE2
20 A GLN 45 2HE2
20 A ASN 49 1HD2
20 A ASN 49 2HD2
20 A GLN 57 1HE2
20 A GLN 57 2HE2
20 A ASN 64 1HD2
20 A ASN 64 2HD2
20 B ASN 13 1HD2
20 B ASN 13 2HD2
20 B GLN 16 1HE2
20 B GLN 16 2HE2
20 B ASN 21 1HD2
20 B ASN 21 2HD2
20 B GLN 22 1HE2
20 B GLN 22 2HE2
20 B ASN 31 1HD2
20 B ASN 31 2HD2
20 B GLN 43 1HE2
20 B GLN 43 2HE2
20 B GLN 45 1HE2
20 B GLN 45 2HE2
20 B ASN 49 1HD2
20 B ASN 49 2HD2
20 B GLN 57 1HE2
20 B GLN 57 2HE2
20 B ASN 64 1HD2
20 B ASN 64 2HD2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 3) HE2
GLU( 1 A 12) HE2
HIS( 1 A 17) HD1
GLU( 1 A 19) HE2
GLU( 1 A 24) HE2
ASP( 1 A 25) HD2
HIS( 1 A 28) HD1
ASP( 1 A 44) HD2
HIS( 1 A 58) HD1
ASP( 1 A 60) HD2
GLU( 1 A 61) HE2
GLU( 1 A 70) HE2
GLU( 1 A 74) HE2
HIS( 1 A 75) HE2
HIS( 1 A 76) HD1
HIS( 1 A 77) HD1
HIS( 1 A 78) HE2
HIS( 1 A 79) HD1
HIS( 1 A 80) HE2
GLU( 1 B 3) HE2
GLU( 1 B 12) HE2
HIS( 1 B 17) HD1
GLU( 1 B 19) HE2
GLU( 1 B 24) HE2
ASP( 1 B 25) HD2
HIS( 1 B 28) HD1
ASP( 1 B 44) HD2
HIS( 1 B 58) HD1
ASP( 1 B 60) HD2
GLU( 1 B 61) HE2
GLU( 1 B 70) HE2
GLU( 1 B 74) HE2
HIS( 1 B 75) HE2
HIS( 1 B 76) HD1
HIS( 1 B 77) HD1
HIS( 1 B 78) HE2
HIS( 1 B 79) HD1
HIS( 1 B 80) HE2
GLU( 2 A 3) HE2
GLU( 2 A 12) HE2
HIS( 2 A 17) HD1
GLU( 2 A 19) HE2
GLU( 2 A 24) HE2
ASP( 2 A 25) HD2
HIS( 2 A 28) HD1
ASP( 2 A 44) HD2
HIS( 2 A 58) HD1
ASP( 2 A 60) HD2
GLU( 2 A 61) HE2
GLU( 2 A 70) HE2
GLU( 2 A 74) HE2
HIS( 2 A 75) HE2
HIS( 2 A 76) HD1
HIS( 2 A 77) HD1
HIS( 2 A 78) HD1
HIS( 2 A 79) HD1
HIS( 2 A 80) HD1
GLU( 2 B 3) HE2
GLU( 2 B 12) HE2
HIS( 2 B 17) HD1
GLU( 2 B 19) HE2
GLU( 2 B 24) HE2
ASP( 2 B 25) HD2
HIS( 2 B 28) HD1
ASP( 2 B 44) HD2
HIS( 2 B 58) HD1
ASP( 2 B 60) HD2
GLU( 2 B 61) HE2
GLU( 2 B 70) HE2
GLU( 2 B 74) HE2
HIS( 2 B 75) HE2
HIS( 2 B 76) HD1
HIS( 2 B 77) HD1
HIS( 2 B 78) HD1
HIS( 2 B 79) HD1
HIS( 2 B 80) HD1
GLU( 3 A 3) HE2
GLU( 3 A 12) HE2
HIS( 3 A 17) HD1
GLU( 3 A 19) HE2
GLU( 3 A 24) HE2
ASP( 3 A 25) HD2
HIS( 3 A 28) HD1
ASP( 3 A 44) HD2
HIS( 3 A 58) HD1
ASP( 3 A 60) HD2
GLU( 3 A 61) HE2
GLU( 3 A 70) HE2
GLU( 3 A 74) HE2
HIS( 3 A 75) HD1
HIS( 3 A 76) HD1
HIS( 3 A 77) HE2
HIS( 3 A 78) HD1
HIS( 3 A 79) HE2
HIS( 3 A 80) HD1
GLU( 3 B 3) HE2
GLU( 3 B 12) HE2
HIS( 3 B 17) HD1
GLU( 3 B 19) HE2
GLU( 3 B 24) HE2
ASP( 3 B 25) HD2
HIS( 3 B 28) HD1
ASP( 3 B 44) HD2
HIS( 3 B 58) HD1
ASP( 3 B 60) HD2
GLU( 3 B 61) HE2
GLU( 3 B 70) HE2
GLU( 3 B 74) HE2
HIS( 3 B 75) HD1
HIS( 3 B 76) HD1
HIS( 3 B 77) HE2
HIS( 3 B 78) HD1
HIS( 3 B 79) HE2
HIS( 3 B 80) HD1
GLU( 4 A 3) HE2
GLU( 4 A 12) HE2
HIS( 4 A 17) HD1
GLU( 4 A 19) HE2
GLU( 4 A 24) HE2
ASP( 4 A 25) HD2
HIS( 4 A 28) HD1
ASP( 4 A 44) HD2
HIS( 4 A 58) HD1
ASP( 4 A 60) HD2
GLU( 4 A 61) HE2
GLU( 4 A 70) HE2
GLU( 4 A 74) HE2
HIS( 4 A 75) HE2
HIS( 4 A 76) HD1
HIS( 4 A 77) HD1
HIS( 4 A 78) HE2
HIS( 4 A 79) HE2
HIS( 4 A 80) HD1
GLU( 4 B 3) HE2
GLU( 4 B 12) HE2
HIS( 4 B 17) HD1
GLU( 4 B 19) HE2
GLU( 4 B 24) HE2
ASP( 4 B 25) HD2
HIS( 4 B 28) HD1
ASP( 4 B 44) HD2
HIS( 4 B 58) HD1
ASP( 4 B 60) HD2
GLU( 4 B 61) HE2
GLU( 4 B 70) HE2
GLU( 4 B 74) HE2
HIS( 4 B 75) HE2
HIS( 4 B 76) HD1
HIS( 4 B 77) HD1
HIS( 4 B 78) HE2
HIS( 4 B 79) HE2
HIS( 4 B 80) HD1
GLU( 5 A 3) HE2
GLU( 5 A 12) HE2
HIS( 5 A 17) HD1
GLU( 5 A 19) HE2
GLU( 5 A 24) HE2
ASP( 5 A 25) HD2
HIS( 5 A 28) HD1
ASP( 5 A 44) HD2
HIS( 5 A 58) HD1
ASP( 5 A 60) HD2
GLU( 5 A 61) HE2
GLU( 5 A 70) HE2
GLU( 5 A 74) HE2
HIS( 5 A 75) HE2
HIS( 5 A 76) HE2
HIS( 5 A 77) HE2
HIS( 5 A 78) HE2
HIS( 5 A 79) HD1
HIS( 5 A 80) HD1
GLU( 5 B 3) HE2
GLU( 5 B 12) HE2
HIS( 5 B 17) HD1
GLU( 5 B 19) HE2
GLU( 5 B 24) HE2
ASP( 5 B 25) HD2
HIS( 5 B 28) HD1
ASP( 5 B 44) HD2
HIS( 5 B 58) HD1
ASP( 5 B 60) HD2
GLU( 5 B 61) HE2
GLU( 5 B 70) HE2
GLU( 5 B 74) HE2
HIS( 5 B 75) HE2
HIS( 5 B 76) HE2
HIS( 5 B 77) HE2
HIS( 5 B 78) HE2
HIS( 5 B 79) HD1
HIS( 5 B 80) HD1
GLU( 6 A 3) HE2
GLU( 6 A 12) HE2
HIS( 6 A 17) HD1
GLU( 6 A 19) HE2
GLU( 6 A 24) HE2
ASP( 6 A 25) HD2
HIS( 6 A 28) HD1
ASP( 6 A 44) HD2
HIS( 6 A 58) HD1
ASP( 6 A 60) HD2
GLU( 6 A 61) HE2
GLU( 6 A 70) HE2
GLU( 6 A 74) HE2
HIS( 6 A 75) HD1
HIS( 6 A 76) HD1
HIS( 6 A 77) HD1
HIS( 6 A 78) HE2
HIS( 6 A 79) HE2
HIS( 6 A 80) HD1
GLU( 6 B 3) HE2
GLU( 6 B 12) HE2
HIS( 6 B 17) HD1
GLU( 6 B 19) HE2
GLU( 6 B 24) HE2
ASP( 6 B 25) HD2
HIS( 6 B 28) HD1
ASP( 6 B 44) HD2
HIS( 6 B 58) HD1
ASP( 6 B 60) HD2
GLU( 6 B 61) HE2
GLU( 6 B 70) HE2
GLU( 6 B 74) HE2
HIS( 6 B 75) HD1
HIS( 6 B 76) HD1
HIS( 6 B 77) HD1
HIS( 6 B 78) HE2
HIS( 6 B 79) HE2
HIS( 6 B 80) HD1
GLU( 7 A 3) HE2
GLU( 7 A 12) HE2
HIS( 7 A 17) HD1
GLU( 7 A 19) HE2
GLU( 7 A 24) HE2
ASP( 7 A 25) HD2
HIS( 7 A 28) HD1
ASP( 7 A 44) HD2
HIS( 7 A 58) HD1
ASP( 7 A 60) HD2
GLU( 7 A 61) HE2
GLU( 7 A 70) HE2
GLU( 7 A 74) HE2
HIS( 7 A 75) HE2
HIS( 7 A 76) HD1
HIS( 7 A 77) HD1
HIS( 7 A 78) HE2
HIS( 7 A 79) HE2
HIS( 7 A 80) HD1
GLU( 7 B 3) HE2
GLU( 7 B 12) HE2
HIS( 7 B 17) HD1
GLU( 7 B 19) HE2
GLU( 7 B 24) HE2
ASP( 7 B 25) HD2
HIS( 7 B 28) HD1
ASP( 7 B 44) HD2
HIS( 7 B 58) HD1
ASP( 7 B 60) HD2
GLU( 7 B 61) HE2
GLU( 7 B 70) HE2
GLU( 7 B 74) HE2
HIS( 7 B 75) HE2
HIS( 7 B 76) HD1
HIS( 7 B 77) HD1
HIS( 7 B 78) HE2
HIS( 7 B 79) HE2
HIS( 7 B 80) HD1
GLU( 8 A 3) HE2
GLU( 8 A 12) HE2
HIS( 8 A 17) HD1
GLU( 8 A 19) HE2
GLU( 8 A 24) HE2
ASP( 8 A 25) HD2
HIS( 8 A 28) HD1
ASP( 8 A 44) HD2
HIS( 8 A 58) HD1
ASP( 8 A 60) HD2
GLU( 8 A 61) HE2
GLU( 8 A 70) HE2
GLU( 8 A 74) HE2
HIS( 8 A 75) HD1
HIS( 8 A 76) HD1
HIS( 8 A 77) HD1
HIS( 8 A 78) HE2
HIS( 8 A 79) HD1
HIS( 8 A 80) HD1
GLU( 8 B 3) HE2
GLU( 8 B 12) HE2
HIS( 8 B 17) HD1
GLU( 8 B 19) HE2
GLU( 8 B 24) HE2
ASP( 8 B 25) HD2
HIS( 8 B 28) HD1
ASP( 8 B 44) HD2
HIS( 8 B 58) HD1
ASP( 8 B 60) HD2
GLU( 8 B 61) HE2
GLU( 8 B 70) HE2
GLU( 8 B 74) HE2
HIS( 8 B 75) HD1
HIS( 8 B 76) HD1
HIS( 8 B 77) HD1
HIS( 8 B 78) HE2
HIS( 8 B 79) HD1
HIS( 8 B 80) HD1
GLU( 9 A 3) HE2
GLU( 9 A 12) HE2
HIS( 9 A 17) HD1
GLU( 9 A 19) HE2
GLU( 9 A 24) HE2
ASP( 9 A 25) HD2
HIS( 9 A 28) HD1
ASP( 9 A 44) HD2
HIS( 9 A 58) HD1
ASP( 9 A 60) HD2
GLU( 9 A 61) HE2
GLU( 9 A 70) HE2
GLU( 9 A 74) HE2
HIS( 9 A 75) HE2
HIS( 9 A 76) HD1
HIS( 9 A 77) HE2
HIS( 9 A 78) HE2
HIS( 9 A 79) HD1
HIS( 9 A 80) HD1
GLU( 9 B 3) HE2
GLU( 9 B 12) HE2
HIS( 9 B 17) HD1
GLU( 9 B 19) HE2
GLU( 9 B 24) HE2
ASP( 9 B 25) HD2
HIS( 9 B 28) HD1
ASP( 9 B 44) HD2
HIS( 9 B 58) HD1
ASP( 9 B 60) HD2
GLU( 9 B 61) HE2
GLU( 9 B 70) HE2
GLU( 9 B 74) HE2
HIS( 9 B 75) HE2
HIS( 9 B 76) HD1
HIS( 9 B 77) HE2
HIS( 9 B 78) HE2
HIS( 9 B 79) HD1
HIS( 9 B 80) HD1
GLU( 10 A 3) HE2
GLU( 10 A 12) HE2
HIS( 10 A 17) HD1
GLU( 10 A 19) HE2
GLU( 10 A 24) HE2
ASP( 10 A 25) HD2
HIS( 10 A 28) HD1
ASP( 10 A 44) HD2
HIS( 10 A 58) HD1
ASP( 10 A 60) HD2
GLU( 10 A 61) HE2
GLU( 10 A 70) HE2
GLU( 10 A 74) HE2
HIS( 10 A 75) HE2
HIS( 10 A 76) HD1
HIS( 10 A 77) HD1
HIS( 10 A 78) HE2
HIS( 10 A 79) HE2
HIS( 10 A 80) HD1
GLU( 10 B 3) HE2
GLU( 10 B 12) HE2
HIS( 10 B 17) HD1
GLU( 10 B 19) HE2
GLU( 10 B 24) HE2
ASP( 10 B 25) HD2
HIS( 10 B 28) HD1
ASP( 10 B 44) HD2
HIS( 10 B 58) HD1
ASP( 10 B 60) HD2
GLU( 10 B 61) HE2
GLU( 10 B 70) HE2
GLU( 10 B 74) HE2
HIS( 10 B 75) HE2
HIS( 10 B 76) HD1
HIS( 10 B 77) HD1
HIS( 10 B 78) HE2
HIS( 10 B 79) HE2
HIS( 10 B 80) HD1
GLU( 11 A 3) HE2
GLU( 11 A 12) HE2
HIS( 11 A 17) HD1
GLU( 11 A 19) HE2
GLU( 11 A 24) HE2
ASP( 11 A 25) HD2
HIS( 11 A 28) HD1
ASP( 11 A 44) HD2
HIS( 11 A 58) HD1
ASP( 11 A 60) HD2
GLU( 11 A 61) HE2
GLU( 11 A 70) HE2
GLU( 11 A 74) HE2
HIS( 11 A 75) HE2
HIS( 11 A 76) HD1
HIS( 11 A 77) HE2
HIS( 11 A 78) HE2
HIS( 11 A 79) HD1
HIS( 11 A 80) HD1
GLU( 11 B 3) HE2
GLU( 11 B 12) HE2
HIS( 11 B 17) HD1
GLU( 11 B 19) HE2
GLU( 11 B 24) HE2
ASP( 11 B 25) HD2
HIS( 11 B 28) HD1
ASP( 11 B 44) HD2
HIS( 11 B 58) HD1
ASP( 11 B 60) HD2
GLU( 11 B 61) HE2
GLU( 11 B 70) HE2
GLU( 11 B 74) HE2
HIS( 11 B 75) HE2
HIS( 11 B 76) HD1
HIS( 11 B 77) HE2
HIS( 11 B 78) HE2
HIS( 11 B 79) HD1
HIS( 11 B 80) HD1
GLU( 12 A 3) HE2
GLU( 12 A 12) HE2
HIS( 12 A 17) HD1
GLU( 12 A 19) HE2
GLU( 12 A 24) HE2
ASP( 12 A 25) HD2
HIS( 12 A 28) HD1
ASP( 12 A 44) HD2
HIS( 12 A 58) HD1
ASP( 12 A 60) HD2
GLU( 12 A 61) HE2
GLU( 12 A 70) HE2
GLU( 12 A 74) HE2
HIS( 12 A 75) HE2
HIS( 12 A 76) HD1
HIS( 12 A 77) HE2
HIS( 12 A 78) HD1
HIS( 12 A 79) HD1
HIS( 12 A 80) HE2
GLU( 12 B 3) HE2
GLU( 12 B 12) HE2
HIS( 12 B 17) HD1
GLU( 12 B 19) HE2
GLU( 12 B 24) HE2
ASP( 12 B 25) HD2
HIS( 12 B 28) HD1
ASP( 12 B 44) HD2
HIS( 12 B 58) HD1
ASP( 12 B 60) HD2
GLU( 12 B 61) HE2
GLU( 12 B 70) HE2
GLU( 12 B 74) HE2
HIS( 12 B 75) HE2
HIS( 12 B 76) HD1
HIS( 12 B 77) HE2
HIS( 12 B 78) HD1
HIS( 12 B 79) HD1
HIS( 12 B 80) HE2
GLU( 13 A 3) HE2
GLU( 13 A 12) HE2
HIS( 13 A 17) HD1
GLU( 13 A 19) HE2
GLU( 13 A 24) HE2
ASP( 13 A 25) HD2
HIS( 13 A 28) HD1
ASP( 13 A 44) HD2
HIS( 13 A 58) HD1
ASP( 13 A 60) HD2
GLU( 13 A 61) HE2
GLU( 13 A 70) HE2
GLU( 13 A 74) HE2
HIS( 13 A 75) HE2
HIS( 13 A 76) HD1
HIS( 13 A 77) HE2
HIS( 13 A 78) HE2
HIS( 13 A 79) HE2
HIS( 13 A 80) HE2
GLU( 13 B 3) HE2
GLU( 13 B 12) HE2
HIS( 13 B 17) HD1
GLU( 13 B 19) HE2
GLU( 13 B 24) HE2
ASP( 13 B 25) HD2
HIS( 13 B 28) HD1
ASP( 13 B 44) HD2
HIS( 13 B 58) HD1
ASP( 13 B 60) HD2
GLU( 13 B 61) HE2
GLU( 13 B 70) HE2
GLU( 13 B 74) HE2
HIS( 13 B 75) HE2
HIS( 13 B 76) HD1
HIS( 13 B 77) HE2
HIS( 13 B 78) HE2
HIS( 13 B 79) HE2
HIS( 13 B 80) HE2
GLU( 14 A 3) HE2
GLU( 14 A 12) HE2
HIS( 14 A 17) HD1
GLU( 14 A 19) HE2
GLU( 14 A 24) HE2
ASP( 14 A 25) HD2
HIS( 14 A 28) HD1
ASP( 14 A 44) HD2
HIS( 14 A 58) HD1
ASP( 14 A 60) HD2
GLU( 14 A 61) HE2
GLU( 14 A 70) HE2
GLU( 14 A 74) HE2
HIS( 14 A 75) HD1
HIS( 14 A 76) HD1
HIS( 14 A 77) HE2
HIS( 14 A 78) HD1
HIS( 14 A 79) HD1
HIS( 14 A 80) HE2
GLU( 14 B 3) HE2
GLU( 14 B 12) HE2
HIS( 14 B 17) HD1
GLU( 14 B 19) HE2
GLU( 14 B 24) HE2
ASP( 14 B 25) HD2
HIS( 14 B 28) HD1
ASP( 14 B 44) HD2
HIS( 14 B 58) HD1
ASP( 14 B 60) HD2
GLU( 14 B 61) HE2
GLU( 14 B 70) HE2
GLU( 14 B 74) HE2
HIS( 14 B 75) HD1
HIS( 14 B 76) HD1
HIS( 14 B 77) HE2
HIS( 14 B 78) HD1
HIS( 14 B 79) HD1
HIS( 14 B 80) HE2
GLU( 15 A 3) HE2
GLU( 15 A 12) HE2
HIS( 15 A 17) HD1
GLU( 15 A 19) HE2
GLU( 15 A 24) HE2
ASP( 15 A 25) HD2
HIS( 15 A 28) HD1
ASP( 15 A 44) HD2
HIS( 15 A 58) HD1
ASP( 15 A 60) HD2
GLU( 15 A 61) HE2
GLU( 15 A 70) HE2
GLU( 15 A 74) HE2
HIS( 15 A 75) HD1
HIS( 15 A 76) HE2
HIS( 15 A 77) HD1
HIS( 15 A 78) HE2
HIS( 15 A 79) HE2
HIS( 15 A 80) HD1
GLU( 15 B 3) HE2
GLU( 15 B 12) HE2
HIS( 15 B 17) HD1
GLU( 15 B 19) HE2
GLU( 15 B 24) HE2
ASP( 15 B 25) HD2
HIS( 15 B 28) HD1
ASP( 15 B 44) HD2
HIS( 15 B 58) HD1
ASP( 15 B 60) HD2
GLU( 15 B 61) HE2
GLU( 15 B 70) HE2
GLU( 15 B 74) HE2
HIS( 15 B 75) HD1
HIS( 15 B 76) HE2
HIS( 15 B 77) HD1
HIS( 15 B 78) HE2
HIS( 15 B 79) HE2
HIS( 15 B 80) HD1
GLU( 16 A 3) HE2
GLU( 16 A 12) HE2
HIS( 16 A 17) HD1
GLU( 16 A 19) HE2
GLU( 16 A 24) HE2
ASP( 16 A 25) HD2
HIS( 16 A 28) HD1
ASP( 16 A 44) HD2
HIS( 16 A 58) HD1
ASP( 16 A 60) HD2
GLU( 16 A 61) HE2
GLU( 16 A 70) HE2
GLU( 16 A 74) HE2
HIS( 16 A 75) HD1
HIS( 16 A 76) HE2
HIS( 16 A 77) HE2
HIS( 16 A 78) HD1
HIS( 16 A 79) HE2
HIS( 16 A 80) HD1
GLU( 16 B 3) HE2
GLU( 16 B 12) HE2
HIS( 16 B 17) HD1
GLU( 16 B 19) HE2
GLU( 16 B 24) HE2
ASP( 16 B 25) HD2
HIS( 16 B 28) HD1
ASP( 16 B 44) HD2
HIS( 16 B 58) HD1
ASP( 16 B 60) HD2
GLU( 16 B 61) HE2
GLU( 16 B 70) HE2
GLU( 16 B 74) HE2
HIS( 16 B 75) HD1
HIS( 16 B 76) HE2
HIS( 16 B 77) HE2
HIS( 16 B 78) HD1
HIS( 16 B 79) HE2
HIS( 16 B 80) HD1
GLU( 17 A 3) HE2
GLU( 17 A 12) HE2
HIS( 17 A 17) HD1
GLU( 17 A 19) HE2
GLU( 17 A 24) HE2
ASP( 17 A 25) HD2
HIS( 17 A 28) HD1
ASP( 17 A 44) HD2
HIS( 17 A 58) HD1
ASP( 17 A 60) HD2
GLU( 17 A 61) HE2
GLU( 17 A 70) HE2
GLU( 17 A 74) HE2
HIS( 17 A 75) HE2
HIS( 17 A 76) HE2
HIS( 17 A 77) HD1
HIS( 17 A 78) HD1
HIS( 17 A 79) HE2
HIS( 17 A 80) HE2
GLU( 17 B 3) HE2
GLU( 17 B 12) HE2
HIS( 17 B 17) HD1
GLU( 17 B 19) HE2
GLU( 17 B 24) HE2
ASP( 17 B 25) HD2
HIS( 17 B 28) HD1
ASP( 17 B 44) HD2
HIS( 17 B 58) HD1
ASP( 17 B 60) HD2
GLU( 17 B 61) HE2
GLU( 17 B 70) HE2
GLU( 17 B 74) HE2
HIS( 17 B 75) HE2
HIS( 17 B 76) HE2
HIS( 17 B 77) HD1
HIS( 17 B 78) HD1
HIS( 17 B 79) HE2
HIS( 17 B 80) HE2
GLU( 18 A 3) HE2
GLU( 18 A 12) HE2
HIS( 18 A 17) HD1
GLU( 18 A 19) HE2
GLU( 18 A 24) HE2
ASP( 18 A 25) HD2
HIS( 18 A 28) HD1
ASP( 18 A 44) HD2
HIS( 18 A 58) HD1
ASP( 18 A 60) HD2
GLU( 18 A 61) HE2
GLU( 18 A 70) HE2
GLU( 18 A 74) HE2
HIS( 18 A 75) HE2
HIS( 18 A 76) HE2
HIS( 18 A 77) HD1
HIS( 18 A 78) HE2
HIS( 18 A 79) HD1
HIS( 18 A 80) HD1
GLU( 18 B 3) HE2
GLU( 18 B 12) HE2
HIS( 18 B 17) HD1
GLU( 18 B 19) HE2
GLU( 18 B 24) HE2
ASP( 18 B 25) HD2
HIS( 18 B 28) HD1
ASP( 18 B 44) HD2
HIS( 18 B 58) HD1
ASP( 18 B 60) HD2
GLU( 18 B 61) HE2
GLU( 18 B 70) HE2
GLU( 18 B 74) HE2
HIS( 18 B 75) HE2
HIS( 18 B 76) HE2
HIS( 18 B 77) HD1
HIS( 18 B 78) HE2
HIS( 18 B 79) HD1
HIS( 18 B 80) HD1
GLU( 19 A 3) HE2
GLU( 19 A 12) HE2
HIS( 19 A 17) HD1
GLU( 19 A 19) HE2
GLU( 19 A 24) HE2
ASP( 19 A 25) HD2
HIS( 19 A 28) HD1
ASP( 19 A 44) HD2
HIS( 19 A 58) HD1
ASP( 19 A 60) HD2
GLU( 19 A 61) HE2
GLU( 19 A 70) HE2
GLU( 19 A 74) HE2
HIS( 19 A 75) HE2
HIS( 19 A 76) HE2
HIS( 19 A 77) HE2
HIS( 19 A 78) HD1
HIS( 19 A 79) HD1
HIS( 19 A 80) HD1
GLU( 19 B 3) HE2
GLU( 19 B 12) HE2
HIS( 19 B 17) HD1
GLU( 19 B 19) HE2
GLU( 19 B 24) HE2
ASP( 19 B 25) HD2
HIS( 19 B 28) HD1
ASP( 19 B 44) HD2
HIS( 19 B 58) HD1
ASP( 19 B 60) HD2
GLU( 19 B 61) HE2
GLU( 19 B 70) HE2
GLU( 19 B 74) HE2
HIS( 19 B 75) HE2
HIS( 19 B 76) HE2
HIS( 19 B 77) HE2
HIS( 19 B 78) HD1
HIS( 19 B 79) HD1
HIS( 19 B 80) HD1
GLU( 20 A 3) HE2
GLU( 20 A 12) HE2
HIS( 20 A 17) HD1
GLU( 20 A 19) HE2
GLU( 20 A 24) HE2
ASP( 20 A 25) HD2
HIS( 20 A 28) HD1
ASP( 20 A 44) HD2
HIS( 20 A 58) HD1
ASP( 20 A 60) HD2
GLU( 20 A 61) HE2
GLU( 20 A 70) HE2
GLU( 20 A 74) HE2
HIS( 20 A 75) HD1
HIS( 20 A 76) HE2
HIS( 20 A 77) HD1
HIS( 20 A 78) HE2
HIS( 20 A 79) HE2
HIS( 20 A 80) HD1
GLU( 20 B 3) HE2
GLU( 20 B 12) HE2
HIS( 20 B 17) HD1
GLU( 20 B 19) HE2
GLU( 20 B 24) HE2
ASP( 20 B 25) HD2
HIS( 20 B 28) HD1
ASP( 20 B 44) HD2
HIS( 20 B 58) HD1
ASP( 20 B 60) HD2
GLU( 20 B 61) HE2
GLU( 20 B 70) HE2
GLU( 20 B 74) HE2
HIS( 20 B 75) HD1
HIS( 20 B 76) HE2
HIS( 20 B 77) HD1
HIS( 20 B 78) HE2
HIS( 20 B 79) HE2
HIS( 20 B 80) HD1
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 80) O2
HIS( 1 B 80) O2
HIS( 2 A 80) O2
HIS( 2 B 80) O2
HIS( 3 A 80) O2
HIS( 3 B 80) O2
HIS( 4 A 80) O2
HIS( 4 B 80) O2
HIS( 5 A 80) O2
HIS( 5 B 80) O2
HIS( 6 A 80) O2
HIS( 6 B 80) O2
HIS( 7 A 80) O2
HIS( 7 B 80) O2
HIS( 8 A 80) O2
HIS( 8 B 80) O2
HIS( 9 A 80) O2
HIS( 9 B 80) O2
HIS( 10 A 80) O2
HIS( 10 B 80) O2
HIS( 11 A 80) O2
HIS( 11 B 80) O2
HIS( 12 A 80) O2
HIS( 12 B 80) O2
HIS( 13 A 80) O2
HIS( 13 B 80) O2
HIS( 14 A 80) O2
HIS( 14 B 80) O2
HIS( 15 A 80) O2
HIS( 15 B 80) O2
HIS( 16 A 80) O2
HIS( 16 B 80) O2
HIS( 17 A 80) O2
HIS( 17 B 80) O2
HIS( 18 A 80) O2
HIS( 18 B 80) O2
HIS( 19 A 80) O2
HIS( 19 B 80) O2
HIS( 20 A 80) O2
HIS( 20 B 80) O2
SR478_R3Cons_em_bcr3.pdb: Missing KEYWDS records
SR478_R3Cons_em_bcr3.pdb: Missing TITLE record