Detailed results of DHR29B_NMR_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 793
# INTRA-RESIDUE RESTRAINTS (I=J) : 157
# SEQUENTIAL RESTRAINTS (I-J)=1 : 225
# BACKBONE-BACKBONE : 83
# BACKBONE-SIDE CHAIN : 30
# SIDE CHAIN-SIDE CHAIN : 112
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 75
# BACKBONE-BACKBONE : 14
# BACKBONE-SIDE CHAIN : 7
# SIDE CHAIN-SIDE CHAIN : 54
# LONG RANGE RESTRAINTS (I-J)>=5 : 336
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 793
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
SER 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
GLN 3 0 0.0 0.0 0.0 0.0 0.0
THR 4 0 0.0 0.0 0.0 0.0 0.0
LEU 5 0 0.0 0.0 0.0 0.0 0.0
ASP 6 0 0.0 0.0 0.0 0.0 0.0
ARG 7 0 0.5 0.0 0.0 0.5 0.0
ASP 8 0 1.5 0.5 0.0 1.0 0.0
PRO 9 0 2.5 1.0 0.0 1.5 0.0
THR 10 2 8.0 1.5 0.5 6.0 0.0
LEU 11 6 7.5 2.5 0.0 5.0 0.0
THR 12 2 6.5 3.0 0.5 3.0 0.0
LEU 13 4 12.5 3.0 0.0 9.5 0.0
SER 14 0 4.5 2.5 0.0 2.0 0.0
LEU 15 6 15.5 3.5 0.0 12.0 0.0
ILE 16 4 12.0 5.5 0.5 6.0 0.0
ALA 17 0 12.0 3.0 1.5 7.5 0.0
LYS 18 4 7.0 1.0 1.0 5.0 0.0
ASN 19 1 2.5 1.5 0.0 1.0 0.0
THR 20 1 10.5 1.0 3.5 6.0 0.0
PRO 21 0 3.5 1.5 0.0 2.0 0.0
ALA 22 0 3.0 2.0 1.0 0.0 0.0
ASN 23 1 3.0 2.0 0.0 1.0 0.0
SER 24 0 7.0 2.0 2.5 2.5 0.0
MET 25 2 7.5 2.5 0.5 4.5 0.0
ILE 26 6 18.5 4.5 4.0 10.0 0.0
MET 27 4 6.0 4.0 0.5 1.5 0.0
THR 28 2 9.5 3.0 2.0 4.5 0.0
LYS 29 1 3.0 3.0 0.0 0.0 0.0
LEU 30 6 10.5 2.5 2.0 6.0 0.0
PRO 31 0 7.0 2.5 0.0 4.5 0.0
SER 32 0 3.0 1.5 0.0 1.5 0.0
VAL 33 2 11.5 3.5 0.0 8.0 0.0
ARG 34 3 11.5 5.0 0.0 6.5 0.0
VAL 35 2 11.5 3.0 0.0 8.5 0.0
LYS 36 2 10.5 2.5 0.0 8.0 0.0
THR 37 1 12.5 3.5 0.0 9.0 0.0
GLU 38 0 8.0 2.5 0.0 5.5 0.0
GLY 39 0 2.5 1.0 0.0 1.5 0.0
TYR 40 2 4.5 2.0 0.0 2.5 0.0
ASN 41 1 6.0 2.0 2.0 2.0 0.0
PRO 42 0 1.5 1.5 0.0 0.0 0.0
SER 43 0 3.0 2.5 0.5 0.0 0.0
ILE 44 4 9.0 4.0 3.0 2.0 0.0
ASN 45 2 4.5 3.0 1.5 0.0 0.0
VAL 46 4 9.5 2.5 6.5 0.5 0.0
ASN 47 2 4.5 2.5 2.0 0.0 0.0
GLU 48 1 4.0 2.5 1.5 0.0 0.0
LEU 49 7 10.5 3.5 5.0 2.0 0.0
PHE 50 2 8.0 2.0 0.0 6.0 0.0
ALA 51 0 9.0 0.5 0.0 8.5 0.0
TYR 52 2 11.0 2.5 0.0 8.5 0.0
VAL 53 2 14.5 4.5 2.0 8.0 0.0
ASP 54 0 5.0 3.0 0.5 1.5 0.0
LEU 55 6 15.5 1.5 2.0 12.0 0.0
SER 56 0 3.5 1.5 0.5 1.5 0.0
GLY 57 0 1.5 1.5 0.0 0.0 0.0
SER 58 0 3.0 1.5 0.0 1.5 0.0
GLU 59 1 1.5 1.5 0.0 0.0 0.0
PRO 60 0 3.0 1.0 0.0 2.0 0.0
GLY 61 0 3.0 1.0 0.0 2.0 0.0
GLU 62 1 5.0 1.5 0.0 3.5 0.0
HIS 63 0 5.0 1.5 1.0 2.5 0.0
ASP 64 0 3.5 1.0 0.0 2.5 0.0
TYR 65 3 11.5 1.0 1.0 9.5 0.0
GLU 66 2 5.5 2.0 0.0 3.5 0.0
VAL 67 1 10.5 4.0 0.5 6.0 0.0
LYS 68 3 5.5 4.0 0.0 1.5 0.0
VAL 69 2 9.0 3.5 0.5 5.0 0.0
GLU 70 1 5.5 3.0 0.0 2.5 0.0
PRO 71 0 3.0 2.0 0.0 1.0 0.0
ILE 72 3 7.0 1.5 4.0 1.5 0.0
PRO 73 0 1.5 1.0 0.5 0.0 0.0
ASN 74 1 1.0 1.0 0.0 0.0 0.0
ILE 75 5 14.5 2.5 4.5 7.5 0.0
LYS 76 3 7.5 4.0 1.0 2.5 0.0
ILE 77 4 13.5 5.5 1.5 6.5 0.0
VAL 78 2 16.5 6.0 1.0 9.5 0.0
GLU 79 1 7.5 4.0 1.5 2.0 0.0
ILE 80 3 5.5 3.5 0.5 1.5 0.0
SER 81 0 4.5 3.0 0.5 1.0 0.0
PRO 82 0 7.0 2.5 2.5 2.0 0.0
ARG 83 4 6.5 5.0 1.0 0.5 0.0
VAL 84 1 15.0 7.0 2.0 6.0 0.0
VAL 85 2 14.0 6.5 2.5 5.0 0.0
THR 86 2 9.0 4.5 1.0 3.5 0.0
LEU 87 6 14.0 3.0 1.0 10.0 0.0
GLN 88 2 8.0 2.5 0.0 5.5 0.0
LEU 89 6 19.0 3.5 0.0 15.5 0.0
GLU 90 0 6.5 3.0 0.0 3.5 0.0
HIS 91 1 2.5 1.5 0.0 1.0 0.0
HIS 92 0 3.5 1.0 0.0 2.5 0.0
HIS 93 0 0.0 0.0 0.0 0.0 0.0
HIS 94 0 0.0 0.0 0.0 0.0 0.0
HIS 95 0 0.0 0.0 0.0 0.0 0.0
HIS 96 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 157 636.0 225.0 75.0 336.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 793.0
List of conformationally-resticting NOE constraints
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 1.80 0.00 1.70
assign ((resid 23 and name HN )) ( (resid 24 and name HN )) 1.80 0.00 3.20
assign ((resid 27 and name HN )) ( (resid 28 and name HN )) 1.80 0.00 1.70
assign ((resid 28 and name HN )) ( (resid 29 and name HN )) 1.80 0.00 3.20
assign ((resid 39 and name HN )) ( (resid 40 and name HN )) 1.80 0.00 3.20
assign ((resid 40 and name HN )) ( (resid 41 and name HN )) 1.80 0.00 3.20
assign ((resid 43 and name HN )) ( (resid 44 and name HN )) 1.80 0.00 1.70
assign ((resid 44 and name HN )) ( (resid 45 and name HN )) 1.80 0.00 3.20
assign ((resid 46 and name HN )) ( (resid 47 and name HN )) 1.80 0.00 1.70
assign ((resid 47 and name HN )) ( (resid 48 and name HN )) 1.80 0.00 1.70
assign ((resid 48 and name HN )) ( (resid 49 and name HN )) 1.80 0.00 1.70
assign ((resid 54 and name HN )) ( (resid 55 and name HN )) 1.80 0.00 3.20
assign ((resid 55 and name HN )) ( (resid 56 and name HN )) 1.80 0.00 3.20
assign ((resid 56 and name HN )) ( (resid 57 and name HN )) 1.80 0.00 3.20
assign ((resid 57 and name HN )) ( (resid 58 and name HN )) 1.80 0.00 3.20
assign ((resid 58 and name HN )) ( (resid 59 and name HN )) 1.80 0.00 3.20
assign ((resid 69 and name HN )) ( (resid 70 and name HN )) 1.80 0.00 3.20
assign ((resid 74 and name HN )) ( (resid 75 and name HN )) 1.80 0.00 3.20
assign ((resid 79 and name HN )) ( (resid 80 and name HN )) 1.80 0.00 3.20
assign ((resid 83 and name HN )) ( (resid 84 and name HN )) 1.80 0.00 1.20
assign ((resid 90 and name HN )) ( (resid 91 and name HN )) 1.80 0.00 3.20
assign ((resid 91 and name HN )) ( (resid 92 and name HN )) 1.80 0.00 3.20
assign ((resid 78 and name HN )) ( (resid 79 and name HN )) 1.80 0.00 1.20
assign ((resid 46 and name HN )) ( (resid 48 and name HN )) 1.80 0.00 3.20
assign ((resid 47 and name HN )) ( (resid 49 and name HN )) 1.80 0.00 3.20
assign ((resid 9 and name HA )) ( (resid 10 and name HN )) 1.80 0.00 1.10
assign ((resid 10 and name HA )) ( (resid 11 and name HN )) 1.80 0.00 1.70
assign ((resid 11 and name HA )) ( (resid 12 and name HN )) 1.80 0.00 1.70
assign ((resid 12 and name HA )) ( (resid 13 and name HN )) 1.80 0.00 1.70
assign ((resid 13 and name HA )) ( (resid 14 and name HN )) 1.80 0.00 1.10
assign ((resid 14 and name HA )) ( (resid 15 and name HN )) 1.80 0.00 1.10
assign ((resid 15 and name HA )) ( (resid 16 and name HN )) 1.80 0.00 1.70
assign ((resid 16 and name HA )) ( (resid 17 and name HN )) 1.80 0.00 1.10
assign ((resid 18 and name HA )) ( (resid 19 and name HN )) 1.80 0.00 1.70
assign ((resid 21 and name HA )) ( (resid 22 and name HN )) 1.80 0.00 1.10
assign ((resid 23 and name HA )) ( (resid 24 and name HN )) 1.80 0.00 1.70
assign ((resid 24 and name HA )) ( (resid 25 and name HN )) 1.80 0.00 1.70
assign ((resid 25 and name HA )) ( (resid 26 and name HN )) 1.80 0.00 1.10
assign ((resid 26 and name HA )) ( (resid 27 and name HN )) 1.80 0.00 1.70
assign ((resid 28 and name HA )) ( (resid 29 and name HN )) 1.80 0.00 1.10
assign ((resid 29 and name HA )) ( (resid 30 and name HN )) 1.80 0.00 1.10
assign ((resid 31 and name HA )) ( (resid 32 and name HN )) 1.80 0.00 1.10
assign ((resid 32 and name HA )) ( (resid 33 and name HN )) 1.80 0.00 1.70
assign ((resid 33 and name HA )) ( (resid 34 and name HN )) 1.80 0.00 1.70
assign ((resid 34 and name HA )) ( (resid 35 and name HN )) 1.80 0.00 1.10
assign ((resid 35 and name HA )) ( (resid 36 and name HN )) 1.80 0.00 1.70
assign ((resid 36 and name HA )) ( (resid 37 and name HN )) 1.80 0.00 1.10
assign ((resid 37 and name HA )) ( (resid 38 and name HN )) 1.80 0.00 1.70
assign ((resid 38 and name HA )) ( (resid 39 and name HN )) 1.80 0.00 1.10
assign ((resid 40 and name HA )) ( (resid 41 and name HN )) 1.80 0.00 1.10
assign ((resid 44 and name HA )) ( (resid 45 and name HN )) 1.80 0.00 1.10
assign ((resid 45 and name HA )) ( (resid 46 and name HN )) 1.80 0.00 1.70
assign ((resid 49 and name HA )) ( (resid 50 and name HN )) 1.80 0.00 1.10
assign ((resid 50 and name HA )) ( (resid 51 and name HN )) 1.80 0.00 1.70
assign ((resid 52 and name HA )) ( (resid 53 and name HN )) 1.80 0.00 1.70
assign ((resid 53 and name HA )) ( (resid 54 and name HN )) 1.80 0.00 1.70
assign ((resid 54 and name HA )) ( (resid 55 and name HN )) 1.80 0.00 1.70
assign ((resid 56 and name HA )) ( (resid 57 and name HN )) 1.80 0.00 1.70
assign ((resid 58 and name HA )) ( (resid 59 and name HN )) 1.80 0.00 1.70
assign ((resid 60 and name HA )) ( (resid 61 and name HN )) 1.80 0.00 1.70
assign ((resid 61 and name HA# )) ( (resid 62 and name HN )) 1.80 0.00 1.70
assign ((resid 62 and name HA )) ( (resid 63 and name HN )) 1.80 0.00 1.70
assign ((resid 63 and name HA )) ( (resid 64 and name HN )) 1.80 0.00 1.10
assign ((resid 64 and name HA )) ( (resid 65 and name HN )) 1.80 0.00 1.10
assign ((resid 65 and name HA )) ( (resid 66 and name HN )) 1.80 0.00 1.70
assign ((resid 66 and name HA )) ( (resid 67 and name HN )) 1.80 0.00 1.70
assign ((resid 67 and name HA )) ( (resid 68 and name HN )) 1.80 0.00 1.70
assign ((resid 68 and name HA )) ( (resid 69 and name HN )) 1.80 0.00 1.70
assign ((resid 69 and name HA )) ( (resid 70 and name HN )) 1.80 0.00 1.10
assign ((resid 71 and name HA )) ( (resid 72 and name HN )) 1.80 0.00 1.70
assign ((resid 73 and name HA )) ( (resid 74 and name HN )) 1.80 0.00 1.10
assign ((resid 75 and name HA )) ( (resid 76 and name HN )) 1.80 0.00 1.70
assign ((resid 76 and name HA )) ( (resid 77 and name HN )) 1.80 0.00 1.10
assign ((resid 77 and name HA )) ( (resid 78 and name HN )) 1.80 0.00 1.70
assign ((resid 79 and name HA )) ( (resid 80 and name HN )) 1.80 0.00 1.10
assign ((resid 80 and name HA )) ( (resid 81 and name HN )) 1.80 0.00 1.70
assign ((resid 82 and name HA )) ( (resid 83 and name HN )) 1.80 0.00 1.70
assign ((resid 84 and name HA )) ( (resid 85 and name HN )) 1.80 0.00 1.10
assign ((resid 85 and name HA )) ( (resid 86 and name HN )) 1.80 0.00 1.70
assign ((resid 86 and name HA )) ( (resid 87 and name HN )) 1.80 0.00 1.10
assign ((resid 87 and name HA )) ( (resid 88 and name HN )) 1.80 0.00 1.70
assign ((resid 88 and name HA )) ( (resid 89 and name HN )) 1.80 0.00 1.70
assign ((resid 89 and name HA )) ( (resid 90 and name HN )) 1.80 0.00 1.70
assign ((resid 91 and name HA )) ( (resid 92 and name HN )) 1.80 0.00 1.70
assign ((resid 18 and name HA )) ( (resid 20 and name HN )) 1.80 0.00 3.20
assign ((resid 22 and name HA )) ( (resid 24 and name HN )) 1.80 0.00 3.20
assign ((resid 41 and name HA )) ( (resid 43 and name HN )) 1.80 0.00 3.20
assign ((resid 45 and name HA )) ( (resid 47 and name HN )) 1.80 0.00 3.20
assign ((resid 46 and name HA )) ( (resid 48 and name HN )) 1.80 0.00 3.20
assign ((resid 47 and name HA )) ( (resid 49 and name HN )) 1.80 0.00 3.20
assign ((resid 54 and name HA )) ( (resid 56 and name HN )) 1.80 0.00 3.20
assign ((resid 73 and name HA )) ( (resid 75 and name HN )) 1.80 0.00 3.20
assign ((resid 77 and name HA )) ( (resid 79 and name HN )) 1.80 0.00 3.20
assign ((resid 81 and name HA )) ( (resid 83 and name HN )) 1.80 0.00 3.20
assign ((resid 82 and name HA )) ( (resid 84 and name HN )) 1.80 0.00 3.20
assign ((resid 46 and name HA )) ( (resid 49 and name HN )) 1.80 0.00 3.20
assign ((resid 16 and name HB )) ( (resid 17 and name HN )) 1.80 0.00 1.70
assign ((resid 26 and name HB )) ( (resid 27 and name HN )) 1.80 0.00 3.20
assign ((resid 28 and name HB )) ( (resid 29 and name HN )) 1.80 0.00 3.20
assign ((resid 33 and name HB )) ( (resid 34 and name HN )) 1.80 0.00 3.20
assign ((resid 37 and name HB )) ( (resid 38 and name HN )) 1.80 0.00 1.70
assign ((resid 44 and name HB )) ( (resid 45 and name HN )) 1.80 0.00 3.20
assign ((resid 46 and name HB )) ( (resid 47 and name HN )) 1.80 0.00 3.20
assign ((resid 53 and name HB )) ( (resid 54 and name HN )) 1.80 0.00 3.20
assign ((resid 77 and name HB )) ( (resid 78 and name HN )) 1.80 0.00 3.20
assign ((resid 78 and name HB )) ( (resid 79 and name HN )) 1.80 0.00 3.20
assign ((resid 80 and name HB )) ( (resid 81 and name HN )) 1.80 0.00 3.20
assign ((resid 83 and name HB# )) ( (resid 84 and name HN )) 1.80 0.00 1.70
assign ((resid 84 and name HB )) ( (resid 85 and name HN )) 1.80 0.00 3.20
assign ((resid 85 and name HB )) ( (resid 86 and name HN )) 1.80 0.00 3.20
assign ((resid 86 and name HB )) ( (resid 87 and name HN )) 1.80 0.00 3.20
assign ((resid 10 and name HG2# )) ( (resid 11 and name HN )) 1.80 0.00 3.20
assign ((resid 11 and name HG )) ( (resid 12 and name HN )) 1.80 0.00 3.20
assign ((resid 11 and name HD2# )) ( (resid 12 and name HN )) 1.80 0.00 3.20
assign ((resid 12 and name HG2# )) ( (resid 13 and name HN )) 1.80 0.00 3.20
assign ((resid 13 and name HD2# )) ( (resid 14 and name HN )) 1.80 0.00 3.20
assign ((resid 15 and name HG )) ( (resid 16 and name HN )) 1.80 0.00 3.20
assign ((resid 15 and name HD1# )) ( (resid 16 and name HN )) 1.80 0.00 3.20
assign ((resid 16 and name HG1# )) ( (resid 17 and name HN )) 1.80 0.00 3.20
assign ((resid 16 and name HG2# )) ( (resid 17 and name HN )) 1.80 0.00 3.20
assign ((resid 16 and name HD1# )) ( (resid 17 and name HN )) 1.80 0.00 3.20
assign ((resid 18 and name HG# )) ( (resid 19 and name HN )) 1.80 0.00 3.20
assign ((resid 25 and name HG# )) ( (resid 26 and name HN )) 1.80 0.00 3.20
assign ((resid 26 and name HG1# )) ( (resid 27 and name HN )) 1.80 0.00 3.20
assign ((resid 26 and name HG2# )) ( (resid 27 and name HN )) 1.80 0.00 3.20
assign ((resid 28 and name HG2# )) ( (resid 29 and name HN )) 1.80 0.00 3.20
assign ((resid 29 and name HG# )) ( (resid 30 and name HN )) 1.80 0.00 3.20
assign ((resid 31 and name HG# )) ( (resid 32 and name HN )) 1.80 0.00 3.20
assign ((resid 33 and name HG1# )) ( (resid 34 and name HN )) 1.80 0.00 3.20
assign ((resid 33 and name HG2# )) ( (resid 34 and name HN )) 1.80 0.00 3.20
assign ((resid 34 and name HG# )) ( (resid 35 and name HN )) 1.80 0.00 3.20
assign ((resid 35 and name HG1# )) ( (resid 36 and name HN )) 1.80 0.00 3.20
assign ((resid 36 and name HG# )) ( (resid 37 and name HN )) 1.80 0.00 3.20
assign ((resid 36 and name HD# )) ( (resid 37 and name HN )) 1.80 0.00 3.20
assign ((resid 37 and name HG2# )) ( (resid 38 and name HN )) 1.80 0.00 3.20
assign ((resid 40 and name HD# )) ( (resid 41 and name HN )) 1.80 0.00 3.20
assign ((resid 42 and name HG# )) ( (resid 43 and name HN )) 1.80 0.00 3.20
assign ((resid 42 and name HD# )) ( (resid 43 and name HN )) 1.80 0.00 3.20
assign ((resid 44 and name HG1# )) ( (resid 45 and name HN )) 1.80 0.00 3.20
assign ((resid 44 and name HG2# )) ( (resid 45 and name HN )) 1.80 0.00 3.20
assign ((resid 46 and name HG1# )) ( (resid 47 and name HN )) 1.80 0.00 3.20
assign ((resid 46 and name HG2# )) ( (resid 47 and name HN )) 1.80 0.00 3.20
assign ((resid 48 and name HG# )) ( (resid 49 and name HN )) 1.80 0.00 3.20
assign ((resid 49 and name HD1# )) ( (resid 50 and name HN )) 1.80 0.00 3.20
assign ((resid 49 and name HD2# )) ( (resid 50 and name HN )) 1.80 0.00 3.20
assign ((resid 52 and name HD# )) ( (resid 53 and name HN )) 1.80 0.00 3.20
assign ((resid 53 and name HG1# )) ( (resid 54 and name HN )) 1.80 0.00 3.20
assign ((resid 53 and name HG2# )) ( (resid 54 and name HN )) 1.80 0.00 3.20
assign ((resid 62 and name HG# )) ( (resid 63 and name HN )) 1.80 0.00 3.20
assign ((resid 66 and name HG# )) ( (resid 67 and name HN )) 1.80 0.00 3.20
assign ((resid 67 and name HG1# )) ( (resid 68 and name HN )) 1.80 0.00 3.20
assign ((resid 67 and name HG2# )) ( (resid 68 and name HN )) 1.80 0.00 3.20
assign ((resid 68 and name HG# )) ( (resid 69 and name HN )) 1.80 0.00 3.20
assign ((resid 69 and name HG1# )) ( (resid 70 and name HN )) 1.80 0.00 3.20
assign ((resid 69 and name HG2# )) ( (resid 70 and name HN )) 1.80 0.00 3.20
assign ((resid 75 and name HG2# )) ( (resid 76 and name HN )) 1.80 0.00 3.20
assign ((resid 75 and name HD1# )) ( (resid 76 and name HN )) 1.80 0.00 3.20
assign ((resid 76 and name HG# )) ( (resid 77 and name HN )) 1.80 0.00 3.20
assign ((resid 76 and name HD# )) ( (resid 77 and name HN )) 1.80 0.00 3.20
assign ((resid 77 and name HG1# )) ( (resid 78 and name HN )) 1.80 0.00 3.20
assign ((resid 77 and name HG2# )) ( (resid 78 and name HN )) 1.80 0.00 3.20
assign ((resid 77 and name HD1# )) ( (resid 78 and name HN )) 1.80 0.00 3.20
assign ((resid 78 and name HG1# )) ( (resid 79 and name HN )) 1.80 0.00 3.20
assign ((resid 78 and name HG2# )) ( (resid 79 and name HN )) 1.80 0.00 3.20
assign ((resid 79 and name HG# )) ( (resid 80 and name HN )) 1.80 0.00 3.20
assign ((resid 80 and name HG2# )) ( (resid 81 and name HN )) 1.80 0.00 3.20
assign ((resid 84 and name HG1# )) ( (resid 85 and name HN )) 1.80 0.00 3.20
assign ((resid 84 and name HG2# )) ( (resid 85 and name HN )) 1.80 0.00 3.20
assign ((resid 85 and name HG1# )) ( (resid 86 and name HN )) 1.80 0.00 3.20
assign ((resid 85 and name HG2# )) ( (resid 86 and name HN )) 1.80 0.00 3.20
assign ((resid 86 and name HG2# )) ( (resid 87 and name HN )) 1.80 0.00 3.20
assign ((resid 87 and name HD2# )) ( (resid 88 and name HN )) 1.80 0.00 3.20
assign ((resid 88 and name HG# )) ( (resid 89 and name HN )) 1.80 0.00 3.20
assign ((resid 89 and name HG )) ( (resid 90 and name HN )) 1.80 0.00 3.20
assign ((resid 89 and name HD1# )) ( (resid 90 and name HN )) 1.80 0.00 3.20
assign ((resid 89 and name HD2# )) ( (resid 90 and name HN )) 1.80 0.00 3.20
assign ((resid 8 and name HN )) ( (resid 9 and name HD# )) 1.80 0.00 3.20
assign ((resid 15 and name HN )) ( (resid 16 and name HG2# )) 1.80 0.00 3.20
assign ((resid 24 and name HN )) ( (resid 25 and name HB# )) 1.80 0.00 3.20
assign ((resid 41 and name HN )) ( (resid 42 and name HD# )) 1.80 0.00 3.20
assign ((resid 43 and name HN )) ( (resid 44 and name HB )) 1.80 0.00 3.20
assign ((resid 43 and name HN )) ( (resid 44 and name HG1# )) 1.80 0.00 3.20
assign ((resid 48 and name HN )) ( (resid 49 and name HG )) 1.80 0.00 3.20
assign ((resid 48 and name HN )) ( (resid 49 and name HD2# )) 1.80 0.00 3.20
assign ((resid 52 and name HN )) ( (resid 53 and name HG1# )) 1.80 0.00 3.20
assign ((resid 83 and name HN )) ( (resid 84 and name HG2# )) 1.80 0.00 3.20
assign ((resid 84 and name HN )) ( (resid 85 and name HG1# )) 1.80 0.00 3.20
assign ((resid 22 and name HB# )) ( (resid 24 and name HN )) 1.80 0.00 3.20
assign ((resid 26 and name HB )) ( (resid 28 and name HN )) 1.80 0.00 3.20
assign ((resid 45 and name HB# )) ( (resid 47 and name HN )) 1.80 0.00 3.20
assign ((resid 82 and name HB# )) ( (resid 84 and name HN )) 1.80 0.00 3.20
assign ((resid 10 and name HG2# )) ( (resid 12 and name HN )) 1.80 0.00 3.20
assign ((resid 26 and name HG2# )) ( (resid 28 and name HN )) 1.80 0.00 3.20
assign ((resid 44 and name HG2# )) ( (resid 46 and name HN )) 1.80 0.00 3.20
assign ((resid 67 and name HG1# )) ( (resid 69 and name HN )) 1.80 0.00 3.20
assign ((resid 77 and name HG2# )) ( (resid 79 and name HN )) 1.80 0.00 3.20
assign ((resid 77 and name HD1# )) ( (resid 79 and name HN )) 1.80 0.00 3.20
assign ((resid 84 and name HG1# )) ( (resid 86 and name HN )) 1.80 0.00 3.20
assign ((resid 17 and name HB# )) ( (resid 20 and name HN )) 1.80 0.00 3.20
assign ((resid 45 and name HB# )) ( (resid 48 and name HN )) 1.80 0.00 3.20
assign ((resid 72 and name HB )) ( (resid 75 and name HN )) 1.80 0.00 3.20
assign ((resid 72 and name HG2# )) ( (resid 75 and name HN )) 1.80 0.00 3.20
assign ((resid 20 and name HG2# )) ( (resid 24 and name HN )) 1.80 0.00 3.20
assign ((resid 17 and name HA )) ( (resid 20 and name HB )) 1.80 0.00 3.20
assign ((resid 46 and name HA )) ( (resid 49 and name HB# )) 1.80 0.00 3.20
assign ((resid 46 and name HA )) ( (resid 49 and name HG )) 1.80 0.00 3.20
assign ((resid 46 and name HA )) ( (resid 49 and name HD1# )) 1.80 0.00 3.20
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assign ((resid 68 and name HA )) ( (resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((resid 70 and name HB# )) ( (resid 71 and name HD# )) 1.80 0.00 3.20
assign ((resid 70 and name HG# )) ( (resid 71 and name HD# )) 1.80 0.00 3.20
assign ((resid 71 and name HA )) ( (resid 72 and name HG1# )) 1.80 0.00 3.20
assign ((resid 72 and name HG2# )) ( (resid 73 and name HD# )) 1.80 0.00 3.20
assign ((resid 75 and name HG2# )) ( (resid 76 and name HA )) 1.80 0.00 3.20
assign ((resid 76 and name HA )) ( (resid 77 and name HG2# )) 1.80 0.00 3.20
assign ((resid 77 and name HA )) ( (resid 78 and name HG2# )) 1.80 0.00 3.20
assign ((resid 77 and name HG1# )) ( (resid 78 and name HA )) 1.80 0.00 3.20
assign ((resid 80 and name HG2# )) ( (resid 81 and name HA )) 1.80 0.00 3.20
assign ((resid 81 and name HA )) ( (resid 82 and name HA )) 1.80 0.00 1.70
assign ((resid 81 and name HB# )) ( (resid 82 and name HA )) 1.80 0.00 3.20
assign ((resid 82 and name HA )) ( (resid 83 and name HE )) 1.80 0.00 3.20
assign ((resid 82 and name HB# )) ( (resid 83 and name HB# )) 1.80 0.00 3.20
assign ((resid 83 and name HA )) ( (resid 84 and name HG2# )) 1.80 0.00 3.20
assign ((resid 83 and name HB# )) ( (resid 84 and name HB )) 1.80 0.00 3.20
assign ((resid 83 and name HB# )) ( (resid 84 and name HG2# )) 1.80 0.00 3.20
assign ((resid 83 and name HG# )) ( (resid 84 and name HG2# )) 1.80 0.00 3.20
assign ((resid 84 and name HA )) ( (resid 85 and name HG1# )) 1.80 0.00 3.20
assign ((resid 84 and name HG1# )) ( (resid 85 and name HA )) 1.80 0.00 3.20
assign ((resid 85 and name HA )) ( (resid 86 and name HB )) 1.80 0.00 3.20
assign ((resid 85 and name HG2# )) ( (resid 86 and name HA )) 1.80 0.00 3.20
assign ((resid 87 and name HA )) ( (resid 88 and name HB# )) 1.80 0.00 3.20
assign ((resid 89 and name HB# )) ( (resid 90 and name HA )) 1.80 0.00 3.20
assign ((resid 78 and name HG1# )) ( (resid 79 and name HB# )) 1.80 0.00 3.20
list of removed NOE constraints
====== TOTAL ======: 0
table of distance constraints violations
Residual Violations greater than 0.10
1-> ASN 19 HN - THR 20 HN [ 1.80 3.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.02 0.03 0.00 0.12 0.00 0.06 0.00 0.00 0.00 0.00 - 6 [ 0.00 .. 0.12]
71-> PRO 73 HA - ASN 74 HN [ 1.80 2.90] 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.11 0.00 0.08 0.00 0.00 0.00 - 4 [ 0.08 .. 0.12]
85-> LYS 18 HA - THR 20 HN [ 1.80 5.00] 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 0.00 0.00 - 1 [ 0.11 .. 0.11]
204-> ALA 17 HA - THR 20 HB [ 1.80 5.00] 0.02 0.04 0.04 0.01 0.02 0.00 0.04 0.05 0.03 0.03 0.01 0.03 0.06 0.12 0.02 0.01 0.00 0.05 0.03 0.02 - 18 [ 0.01 .. 0.12]
330-> LYS 36 HN - VAL 78 HG2* [ 1.80 5.00] 0.04 0.02 0.03 0.01 0.00 0.05 0.01 0.02 0.03 0.04 0.03 0.05 0.06 0.02 0.03 0.03 0.03 0.03 0.11 0.04 - 19 [ 0.01 .. 0.11]
539-> TYR 52 HB* - LYS 68 HD* [ 1.80 5.00] 0.04 0.03 0.00 0.05 0.04 0.00 0.00 0.00 0.06 0.00 0.04 0.03 0.03 0.00 0.01 0.10 0.07 0.00 0.03 0.12 - 13 [ 0.01 .. 0.12]
-------------------------------------------
Number of Violations greater than 0.10 0 0 0 0 0 1 0 0 0 0 0 0 0 2 1 1 1 0 1 1
-------------------------------------------
---- Summary Of Residual Distance Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 0 0 0 0 0 1 0 0 0 0 0 0 0 2 1 1 1 0 1 1 0.40
0.2 - 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
> 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 35 33 35 38 34 36 29 43 31 41 36 37 31 31 36 41 36 32 33 37 35.25
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 0.062 0.060 0.070 0.059 0.067 0.115 0.058 0.058 0.078 0.087 0.047 0.055 0.058 0.124 0.111 0.102 0.108 0.070 0.107 0.118 0.124
Max Intra Viol : 0.000 0.000 0.000 0.034 0.000 0.000 0.000 0.000 0.000 0.002 0.030 0.000 0.034 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.034
Max Seque Viol : 0.062 0.060 0.044 0.059 0.064 0.115 0.058 0.058 0.040 0.087 0.029 0.055 0.036 0.124 0.111 0.065 0.079 0.070 0.059 0.059 0.124
Max Medium Viol : 0.042 0.039 0.070 0.026 0.022 0.078 0.039 0.058 0.078 0.032 0.017 0.036 0.058 0.117 0.082 0.047 0.108 0.054 0.035 0.039 0.117
Max Long Viol : 0.054 0.044 0.045 0.049 0.067 0.052 0.036 0.040 0.058 0.039 0.047 0.052 0.056 0.031 0.048 0.102 0.067 0.032 0.107 0.118 0.118
Average Violation : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.00092
Avge Intra Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.00004
Avge Seque Viol : 0.001 0.001 0.001 0.000 0.000 0.001 0.001 0.001 0.001 0.001 0.000 0.000 0.001 0.001 0.001 0.000 0.001 0.001 0.001 0.000 0.00059
Avge Mediu Viol : 0.003 0.004 0.003 0.002 0.002 0.003 0.001 0.004 0.003 0.005 0.001 0.003 0.001 0.003 0.005 0.005 0.003 0.002 0.004 0.002 0.00298
Avge Long Viol : 0.001 0.001 0.001 0.001 0.002 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.00106
RMS Violation : 0.005 0.005 0.005 0.005 0.006 0.007 0.004 0.006 0.005 0.006 0.004 0.005 0.005 0.007 0.007 0.007 0.007 0.005 0.007 0.006 0.00591
RMS Intra : 0.000 0.000 0.000 0.003 0.000 0.000 0.000 0.000 0.000 0.000 0.002 0.000 0.003 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.00108
RMS Sequential : 0.004 0.004 0.006 0.003 0.001 0.007 0.004 0.005 0.007 0.004 0.001 0.003 0.006 0.008 0.006 0.004 0.009 0.005 0.004 0.003 0.00504
RMS Medium range : 0.010 0.014 0.009 0.010 0.011 0.015 0.007 0.012 0.009 0.017 0.005 0.011 0.005 0.015 0.017 0.016 0.013 0.009 0.014 0.009 0.01189
RMS Long range : 0.005 0.004 0.005 0.005 0.008 0.005 0.004 0.006 0.005 0.004 0.006 0.005 0.005 0.003 0.005 0.007 0.007 0.004 0.008 0.008 0.00574
Final --global-- Summary for 20 models, 841 NOEs/model, 16820 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 15.464
Summ sq. viol : 0.588
Maximum viol : 0.124
Average viol : 0.00092
RMSD viol : 0.00591
Std. Dev. viol : 0.00584
RMS Intra : 0.00108
RMS Seque : 0.00504
RMS Medi : 0.01189
RMS Long : 0.00574
table of dihedral angle constraints violations
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
> 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 4 2 0 2 1 4 1 3 1 3 1 2 2 2 2 2 2 3 2 2.10
Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Maximum Violation : 0.2 0.2 0.4 0.0 0.2 0.2 0.3 0.2 0.3 0.2 0.2 0.1 0.3 0.3 0.5 0.1 0.2 0.1 0.3 0.3 0.50
Max PHI Viol : 0.2 0.2 0.4 0.0 0.2 0.2 0.3 0.2 0.3 0.2 0.2 0.1 0.1 0.3 0.5 0.1 0.2 0.1 0.3 0.3 0.50
Max PSI Viol : 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.3 0.0 0.1 0.0 0.0 0.0 0.2 0.0 0.30
Average Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.005
Avge PHI Viol : 0.079 0.090 0.111 0.000 0.080 0.077 0.154 0.074 0.099 0.077 0.085 0.052 0.067 0.122 0.124 0.061 0.104 0.085 0.094 0.094 0.092
Avge PSI Viol : 0.000 0.075 0.000 0.000 0.000 0.000 0.000 0.000 0.061 0.000 0.032 0.000 0.095 0.000 0.046 0.000 0.000 0.000 0.099 0.000 0.040
RMS Violation : 0.024 0.035 0.046 0.000 0.025 0.024 0.053 0.022 0.042 0.024 0.024 0.011 0.041 0.043 0.063 0.011 0.033 0.021 0.046 0.033 0.034
RMS PHI Viol : 0.034 0.038 0.065 0.000 0.036 0.034 0.074 0.032 0.057 0.034 0.033 0.015 0.026 0.061 0.088 0.015 0.047 0.030 0.051 0.047 0.046
RMS PSI Viol : 0.000 0.032 0.000 0.000 0.000 0.000 0.000 0.000 0.018 0.000 0.006 0.000 0.052 0.000 0.012 0.000 0.000 0.000 0.040 0.000 0.017
Final --global-- Summary for 20 models, 66 ACOs/model, 1320 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 6.59
Summ. Sq. Viol. : 1.57
Max. Viol. : 0.504
Avg. Viol. : 0.00499
RMS Viol. : 0.03449
Std. Dev. Viol. : 0.03413
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
# -----------------------------------------------------------------------------------
SER A 1 0.174 0.457
SER A 2 0.854 0.395 0.448
GLN A 3 0.755 0.273 0.563 0.570 0.787
THR A 4 0.898 0.316 0.744
LEU A 5 0.954 0.247 0.610 0.404
ASP A 6 0.962 0.264 0.360 0.479
ARG A 7 0.758 0.615 0.646 0.905 0.492 0.712 0.999
ASP A 8 0.629 0.976 0.496 0.515
PRO A 9 0.988 0.937 0.947 0.897 9 9
THR A 10 0.989 0.981 0.997 10 10
LEU A 11 0.985 0.984 0.598 0.582 11 11
THR A 12 0.985 0.989 0.920 12 12
LEU A 13 0.988 0.965 0.998 0.912 13 13
SER A 14 0.975 0.996 0.459 14 14
LEU A 15 0.996 0.993 0.999 0.999 15 15
ILE A 16 0.991 0.992 0.999 0.999 16 16
ALA A 17 0.988 0.986 17 17
LYS A 18 0.965 0.529 0.929 0.730 0.996 0.579
ASN A 19 0.527 0.857 0.624 0.845
THR A 20 0.883 0.988 0.793 20
PRO A 21 0.992 0.980 0.955 0.915 21 21
ALA A 22 0.987 0.526
ASN A 23 0.512 0.943 0.778 0.607
SER A 24 0.966 0.961 0.871 24 24
MET A 25 0.979 0.991 0.998 0.990 0.848 25 25
ILE A 26 0.991 0.988 0.999 0.999 26 26
MET A 27 0.989 0.969 0.664 0.728 0.478 27 27
THR A 28 0.987 0.980 0.827 28 28
LYS A 29 0.990 0.990 0.690 0.769 0.927 0.521 29 29
LEU A 30 0.990 0.996 0.996 0.756 30 30
PRO A 31 0.989 0.981 0.952 0.921 31 31
SER A 32 0.976 0.985 0.539 32 32
VAL A 33 0.989 0.992 0.510 33 33
ARG A 34 0.990 0.984 0.625 0.973 0.103 0.630 0.998 34 34
VAL A 35 0.984 0.973 0.997 35 35
LYS A 36 0.983 0.993 0.845 0.789 0.742 0.303 36 36
THR A 37 0.991 0.963 0.999 37 37
GLU A 38 0.958 0.969 0.560 0.856 0.383 38 38
GLY A 39 0.979 0.893 39
TYR A 40 0.943 0.962 0.723 0.185 40 40
ASN A 41 0.930 0.961 0.723 0.450 41 41
PRO A 42 0.990 0.931 0.965 0.926 42 42
SER A 43 0.926 0.644 0.325
ILE A 44 0.741 0.968 0.997 0.788
ASN A 45 0.977 0.854 0.459 0.288 45
VAL A 46 0.993 0.982 0.592 46 46
ASN A 47 0.990 0.987 0.663 0.356 47 47
GLU A 48 0.986 0.989 0.569 0.768 0.315 48 48
LEU A 49 0.993 0.996 0.998 0.998 49 49
PHE A 50 0.990 0.988 0.997 0.994 50 50
ALA A 51 0.992 0.987 51 51
TYR A 52 0.985 0.992 0.852 0.230 52 52
VAL A 53 0.998 0.990 0.998 53 53
ASP A 54 0.990 0.990 0.732 0.332 54 54
LEU A 55 0.989 0.932 0.981 0.777 55 55
SER A 56 0.989 0.523 0.428
GLY A 57 0.416 0.598
SER A 58 0.752 0.705 0.546
GLU A 59 0.956 0.972 0.705 0.610 0.194 59 59
PRO A 60 0.988 0.900 0.946 0.888 60
GLY A 61 0.879 0.976 61
GLU A 62 0.974 0.995 0.582 0.944 0.429 62 62
HIS A 63 0.990 0.989 0.843 0.314 63 63
ASP A 64 0.994 0.986 0.712 0.715 64 64
TYR A 65 0.987 0.983 0.995 0.995 65 65
GLU A 66 0.989 0.993 0.548 0.986 0.298 66 66
VAL A 67 0.993 0.990 1.000 67 67
LYS A 68 0.988 0.970 0.686 0.922 0.932 0.380 68 68
VAL A 69 0.982 0.991 0.999 69 69
GLU A 70 0.994 0.989 0.718 0.479 0.296 70 70
PRO A 71 0.992 0.978 0.938 0.858 71 71
ILE A 72 0.974 0.993 0.999 0.545 72 72
PRO A 73 0.988 0.730 0.935 0.868
ASN A 74 0.626 0.917 0.591 0.557
ILE A 75 0.940 0.990 0.997 0.486 75 75
LYS A 76 0.995 0.976 0.525 0.990 0.788 0.420 76 76
ILE A 77 0.980 0.989 0.998 0.999 77 77
VAL A 78 0.987 0.995 1.000 78 78
GLU A 79 0.980 0.977 0.581 0.625 0.453 79 79
ILE A 80 0.966 0.849 0.793 1.000 80
SER A 81 0.927 0.985 0.611 81 81
PRO A 82 0.990 0.963 0.959 0.918 82 82
ARG A 83 0.966 0.984 0.896 0.994 0.874 0.907 0.998 83 83
VAL A 84 0.992 0.990 0.999 84 84
VAL A 85 0.994 0.994 0.999 85 85
THR A 86 0.992 0.996 0.998 86 86
LEU A 87 0.993 0.990 0.999 1.000 87 87
GLN A 88 0.994 0.987 0.552 0.878 0.809 88 88
LEU A 89 0.984 0.982 0.998 0.997 89 89
GLU A 90 0.974 0.971 0.728 0.340 0.285 90 90
HIS A 91 0.988 0.944 0.856 0.144 91 91
HIS A 92 0.947 0.458 0.883 0.416
HIS A 93 0.915 0.556 0.765 0.261
HIS A 94 0.640 0.200 0.554 0.363
HIS A 95 0.868 0.171 0.445 0.134
HIS A 96 0.585 0.542 0.364
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 `DHR29B_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 1 is: 0.601
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 2 is: 0.499
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 3 is: 0.491
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 4 is: 0.847
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 5 is: 0.488
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 6 is: 0.776
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 7 is: 0.646
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 8 is: 0.830
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 9 is: 0.598
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 10 is: 0.550
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 11 is: 0.533
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 12 is: 0.585
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 13 is: 0.597
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 14 is: 0.423 (*)
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 15 is: 0.504
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 16 is: 0.517
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 17 is: 0.466
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 18 is: 0.501
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 19 is: 0.472
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 20 is: 0.709
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[9..17],[24..38],[40..42],[46..55],[62..72],[75..79],[81..91], is: 0.582
> Range of RMSD values to reference struct. is 0.423 to 0.847
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 1 is: 1.132
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 2 is: 0.958
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 3 is: 0.882
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 4 is: 1.245
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 5 is: 0.939
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 6 is: 1.154
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 7 is: 1.212
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 8 is: 1.302
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 9 is: 1.016
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 10 is: 1.007
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 11 is: 1.022
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 12 is: 1.002
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 13 is: 1.123
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 14 is: 0.924
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 15 is: 0.873 (*)
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 16 is: 1.102
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 17 is: 0.899
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 18 is: 1.003
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 19 is: 0.905
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..38],A[40..42],A[46..55],A[62..72],A[75..79],A[81..91],for model 20 is: 1.169
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[9..17],[24..38],[40..42],[46..55],[62..72],[75..79],[81..91], is: 1.043
> Range of RMSD values to reference struct. is 0.873 to 1.302
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..96],for model 1 is: 2.222
> Kabsch RMSD of backb atoms in res. *[1..96],for model 2 is: 1.216 (*)
> Kabsch RMSD of backb atoms in res. *[1..96],for model 3 is: 2.337
> Kabsch RMSD of backb atoms in res. *[1..96],for model 4 is: 2.139
> Kabsch RMSD of backb atoms in res. *[1..96],for model 5 is: 2.483
> Kabsch RMSD of backb atoms in res. *[1..96],for model 6 is: 1.395
> Kabsch RMSD of backb atoms in res. *[1..96],for model 7 is: 2.244
> Kabsch RMSD of backb atoms in res. *[1..96],for model 8 is: 2.682
> Kabsch RMSD of backb atoms in res. *[1..96],for model 9 is: 2.006
> Kabsch RMSD of backb atoms in res. *[1..96],for model 10 is: 1.692
> Kabsch RMSD of backb atoms in res. *[1..96],for model 11 is: 1.719
> Kabsch RMSD of backb atoms in res. *[1..96],for model 12 is: 1.939
> Kabsch RMSD of backb atoms in res. *[1..96],for model 13 is: 1.863
> Kabsch RMSD of backb atoms in res. *[1..96],for model 14 is: 1.523
> Kabsch RMSD of backb atoms in res. *[1..96],for model 15 is: 2.404
> Kabsch RMSD of backb atoms in res. *[1..96],for model 16 is: 2.062
> Kabsch RMSD of backb atoms in res. *[1..96],for model 17 is: 2.277
> Kabsch RMSD of backb atoms in res. *[1..96],for model 18 is: 2.042
> Kabsch RMSD of backb atoms in res. *[1..96],for model 19 is: 1.742
> Kabsch RMSD of backb atoms in res. *[1..96],for model 20 is: 2.091
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..96], is: 2.004
> Range of RMSD values to reference struct. is 1.216 to 2.682
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 1 is: 2.731
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 2 is: 1.891 (*)
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 3 is: 2.677
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 4 is: 2.700
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 5 is: 2.900
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 6 is: 1.929
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 7 is: 2.537
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 8 is: 2.844
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 9 is: 2.329
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 10 is: 2.117
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 11 is: 2.173
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 12 is: 2.297
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 13 is: 2.349
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 14 is: 1.987
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 15 is: 2.537
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 16 is: 2.633
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 17 is: 2.850
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 18 is: 2.549
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 19 is: 2.240
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 20 is: 2.492
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..96], is: 2.438
> Range of RMSD values to reference struct. is 1.891 to 2.900
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 2.0 0.6 0.6
All heavy atoms 2.4 1.1 1.1
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 >>>----------+
| |
| DHR29B_NMR_em_bcr3_020.rin 0.0 1400 residues |
| |
| Ramachandran plot: 91.1% core 8.9% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 39 labelled residues (out of1400) |
+| Chi1-chi2 plots: 5 labelled residues (out of 840) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
9 -1.03
10 -0.69
11 -0.20
12 -1.03
13 -0.62
14 -0.13
15 -0.22
16 -0.54
17 -1.52
24 -0.92
25 -0.46
26 -0.80
27 -0.02
28 -1.29
29 -0.45
30 -0.99
31 -2.58
32 -0.31
33 -0.52
34 -0.93
35 -0.09
36 -0.40
37 0.09
38 -1.09
39 -1.39
40 -0.15
41 -0.95
42 -3.33
45 -0.82
46 -0.73
47 0.23
48 -1.03
49 -0.18
50 -0.17
51 -0.91
52 0.24
53 0.38
54 -0.13
55 -2.14
59 -0.83
60 -0.92
61 -0.81
62 -1.20
63 -0.26
64 -0.23
65 0.20
66 -0.44
67 -1.02
68 -0.70
69 -0.40
70 -0.80
71 -0.47
72 -0.29
75 -0.25
76 -0.45
77 -0.19
78 -2.44
79 -0.60
80 -1.01
81 -0.81
82 -1.13
83 -0.96
84 0.26
85 0.19
86 -1.63
87 -0.03
88 -0.92
89 -0.18
90 -1.22
91 -0.72
#Reported_Model_Average -0.687
#Overall_Average_Reported -0.687
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
9 -1.03
10 -0.34
11 0.21
12 -0.73
13 -0.03
14 -0.18
15 0.10
16 -0.28
17 -1.52
24 -0.54
25 -0.10
26 -0.56
27 0.36
28 -0.77
29 0.14
30 -0.27
31 -2.58
32 -0.23
33 -0.61
34 -0.18
35 -0.25
36 -0.10
37 -0.12
38 -0.33
39 -1.39
40 0.00
41 -1.42
42 -3.33
45 -0.45
46 -0.54
47 0.12
48 -0.13
49 0.30
50 0.23
51 -0.91
52 -0.28
53 -0.20
54 -0.58
55 -0.88
59 -0.20
60 -0.92
61 -0.81
62 -0.21
63 0.01
64 -0.52
65 0.42
66 0.07
67 -0.20
68 -0.03
69 -0.07
70 -0.11
71 -0.47
72 -0.61
75 -0.01
76 0.07
77 -0.37
78 -1.10
79 -0.01
80 -0.40
81 -0.45
82 -1.13
83 -0.41
84 0.27
85 -0.21
86 -1.01
87 0.42
88 -0.18
89 0.32
90 -0.77
91 -0.42
#Reported_Model_Average -0.406
#Overall_Average_Reported -0.406
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
9 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.64 0.44 0.44 0.44 0.44 -0.11 0.44 0.44 0.44 0.44 0.44 0.44 0.44
10 0.79 0.95 0.79 0.95 0.95 0.79 0.79 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.79 0.79 0.95 0.95 0.79
11 0.36 0.36 0.36 0.36 0.36 0.36 0.36 1.07 1.07 1.07 1.07 0.36 0.36 1.07 0.36 0.36 1.07 0.36 0.36 0.14
12 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
13 1.07 1.07 1.07 1.07 1.07 0.36 0.36 1.07 1.07 1.07 0.36 1.07 1.07 1.07 0.36 1.07 1.07 1.07 1.07 0.36
14 0.65 0.65 0.65 0.49 0.65 0.65 0.65 0.65 0.65 0.49 0.49 0.49 0.65 0.49 0.65 0.65 0.65 0.49 0.65 0.49
15 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
16 0.09 -0.35 -0.35 -0.35 0.09 -0.35 -0.35 -0.35 -0.35 -0.35 0.09 -0.35 -0.35 -0.35 -0.35 0.09 -0.35 -0.35 -0.35 -0.35
17 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
24 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
25 -0.76 -0.76 -0.76 -0.76 -0.68 -0.76 -0.68 -0.68 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.68 -0.76
26 1.50 1.50 1.50 1.50 1.07 1.50 1.50 1.07 1.50 1.50 1.07 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07
27 -0.83 -0.83 -0.83 -0.83 0.23 -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
28 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
29 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
30 -0.33 -0.33 0.77 0.77 -0.33 0.77 0.77 1.06 0.77 -0.33 0.77 -0.33 -0.33 0.77 0.77 -0.33 0.77 0.77 -0.33 0.77
31 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.64 0.44 0.44 0.44 0.44 0.44 0.44 0.64
32 0.49 0.49 0.49 0.65 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.65 0.49 0.65 0.49 0.65 0.49 0.49 0.49 0.49
33 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
34 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19
35 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
36 0.55 0.55 0.55 0.35 0.35 0.55 0.35 0.55 0.55 0.35 0.55 0.35 0.55 0.55 0.55 0.35 0.55 0.55 0.35 0.55
37 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
38 0.41 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
39 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
40 -0.43 -0.43 -0.43 -1.04 -0.43 -0.43 -1.04 -1.04 -0.43 -0.43 -1.04 -0.43 -0.43 -0.43 1.25 -0.43 -0.43 -0.43 -0.43 -0.43
41 -0.26 -0.26 -2.61 -0.26 -2.61 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -2.61 -0.56 -0.26 -0.26 -0.26 -0.26 -0.26
42 0.25 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44
45 0.41 0.51 0.51 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.41 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
46 -0.74 -0.74 -0.09 -0.09 -0.74 0.66 -0.09 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 0.66 -0.74 -0.74 -0.74 -0.74 0.66
47 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
48 0.28 0.28 0.04 0.04 0.28 0.28 0.28 0.04 0.04 0.28 0.28 0.28 0.04 0.28 0.04 0.04 0.28 0.28 0.28 0.28
49 1.06 1.06 1.06 0.77 0.77 -0.33 0.29 1.06 1.06 0.77 0.77 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 -0.33
50 0.71 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84
51 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
52 1.30 1.30 1.30 1.30 1.09 1.09 1.30 1.09 1.09 1.30 1.09 1.09 1.30 1.09 1.30 1.09 1.09 1.09 1.30 1.09
53 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
54 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.61 -0.03 -0.61 -0.03 -0.03 -0.61 -0.03 -0.03 -0.03
55 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
59 0.28 0.28 0.28 0.04 0.04 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
60 0.44 0.44 0.44 0.64 0.64 0.64 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.64
61 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
62 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
63 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 0.80 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49
64 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.30 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03
65 1.09 1.09 1.09 1.09 1.09 1.30 1.30 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.30 1.09 1.30 1.09 1.09 1.30
66 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 -0.37 0.41 -0.37 -0.37 0.41 -0.37 0.41 0.41 -0.37 0.41 0.41 0.41 -0.37
67 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
68 0.55 0.55 0.55 0.55 0.55 0.55 0.35 -1.54 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
69 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
70 0.28 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 -0.59 0.28
71 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
72 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
75 0.81 -0.54 -0.54 0.81 0.81 0.81 -0.54 -0.54 0.81 0.81 -0.54 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81
76 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
77 0.09 0.09 0.09 1.07 0.09 1.07 0.09 0.09 1.07 0.09 0.09 1.07 0.09 1.07 0.09 0.09 0.09 1.07 1.07 1.07
78 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09
79 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
80 0.81 -0.28 -0.28 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 -0.94 -0.28 0.81 0.81 0.81 -0.28 0.81 -0.54
81 0.34 0.34 0.17 0.34 0.17 0.17 0.17 0.17 0.34 0.17 0.34 0.17 0.17 0.34 0.34 0.17 0.34 0.17 0.34 0.17
82 0.44 0.64 0.64 0.64 0.64 0.64 0.44 0.44 0.44 0.44 0.64 0.44 0.64 0.64 0.44 0.44 0.44 0.44 0.44 0.64
83 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 -0.41 0.24 0.24 0.24 0.24 0.24 0.24
84 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
85 1.18 0.44 0.44 1.18 0.44 1.18 0.44 1.18 1.18 1.18 1.18 0.44 0.44 0.44 1.18 1.18 1.18 0.44 0.44 1.18
86 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
87 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
88 0.10 0.10 0.10 0.10 0.10 0.10 0.10 -2.38 -2.38 0.10 0.10 -2.38 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
89 0.36 0.36 0.36 1.07 0.36 0.36 0.36 0.36 1.07 1.07 0.36 1.07 0.36 0.36 0.36 1.07 0.36 0.36 0.36 0.36
90 0.41 0.41 0.41 0.41 -0.68 0.41 -0.68 0.41 -0.68 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 0.41 0.41 -0.42 0.41
91 -0.49 -0.49 0.80 -0.49 -0.49 -0.49 -0.49 -0.49 0.80 -0.49 -0.49 -0.49 -0.49 -0.49 -0.53 -0.49 -0.49 -0.49 -0.49 0.80
#Reported_Model_Average 0.465 0.398 0.375 0.497 0.388 0.464 0.374 0.398 0.461 0.438 0.421 0.420 0.374 0.412 0.487 0.434 0.458 0.420 0.420 0.452
#Overall_Average_Reported 0.428
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
9 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.64 0.44 0.44 0.44 0.44 -0.11 0.44 0.44 0.44 0.44 0.44 0.44 0.44
10 0.79 0.95 0.79 0.95 0.95 0.79 0.79 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.79 0.79 0.95 0.95 0.79
11 0.36 0.36 0.36 0.36 0.36 0.36 0.36 1.07 1.07 1.07 1.07 0.36 0.36 1.07 0.36 0.36 1.07 0.36 0.36 0.14
12 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
13 1.07 1.07 1.07 1.07 1.07 0.36 0.36 1.07 1.07 1.07 0.36 1.07 1.07 1.07 0.36 1.07 1.07 1.07 1.07 0.36
14 0.65 0.65 0.65 0.49 0.65 0.65 0.65 0.65 0.65 0.49 0.49 0.49 0.65 0.49 0.65 0.65 0.65 0.49 0.65 0.49
15 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
16 0.09 -0.35 -0.35 -0.35 0.09 -0.35 -0.35 -0.35 -0.35 -0.35 0.09 -0.35 -0.35 -0.35 -0.35 0.09 -0.35 -0.35 -0.35 -0.35
17 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
24 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
25 -0.76 -0.76 -0.76 -0.76 -0.68 -0.76 -0.68 -0.68 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.68 -0.76
26 1.50 1.50 1.50 1.50 1.07 1.50 1.50 1.07 1.50 1.50 1.07 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07
27 -0.83 -0.83 -0.83 -0.83 0.23 -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
28 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
29 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
30 -0.33 -0.33 0.77 0.77 -0.33 0.77 0.77 1.06 0.77 -0.33 0.77 -0.33 -0.33 0.77 0.77 -0.33 0.77 0.77 -0.33 0.77
31 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.64 0.44 0.44 0.44 0.44 0.44 0.44 0.64
32 0.49 0.49 0.49 0.65 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.65 0.49 0.65 0.49 0.65 0.49 0.49 0.49 0.49
33 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
34 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19
35 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
36 0.55 0.55 0.55 0.35 0.35 0.55 0.35 0.55 0.55 0.35 0.55 0.35 0.55 0.55 0.55 0.35 0.55 0.55 0.35 0.55
37 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
38 0.41 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
39 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
40 -0.43 -0.43 -0.43 -1.04 -0.43 -0.43 -1.04 -1.04 -0.43 -0.43 -1.04 -0.43 -0.43 -0.43 1.25 -0.43 -0.43 -0.43 -0.43 -0.43
41 -0.26 -0.26 -2.61 -0.26 -2.61 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -0.26 -2.61 -0.56 -0.26 -0.26 -0.26 -0.26 -0.26
42 0.25 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44
45 0.41 0.51 0.51 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.41 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
46 -0.74 -0.74 -0.09 -0.09 -0.74 0.66 -0.09 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 0.66 -0.74 -0.74 -0.74 -0.74 0.66
47 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
48 0.28 0.28 0.04 0.04 0.28 0.28 0.28 0.04 0.04 0.28 0.28 0.28 0.04 0.28 0.04 0.04 0.28 0.28 0.28 0.28
49 1.06 1.06 1.06 0.77 0.77 -0.33 0.29 1.06 1.06 0.77 0.77 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 -0.33
50 0.71 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84
51 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
52 1.30 1.30 1.30 1.30 1.09 1.09 1.30 1.09 1.09 1.30 1.09 1.09 1.30 1.09 1.30 1.09 1.09 1.09 1.30 1.09
53 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
54 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.61 -0.03 -0.61 -0.03 -0.03 -0.61 -0.03 -0.03 -0.03
55 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
59 0.28 0.28 0.28 0.04 0.04 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
60 0.44 0.44 0.44 0.64 0.64 0.64 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.64
61 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
62 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
63 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 0.80 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49
64 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.30 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03
65 1.09 1.09 1.09 1.09 1.09 1.30 1.30 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.30 1.09 1.30 1.09 1.09 1.30
66 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 -0.37 0.41 -0.37 -0.37 0.41 -0.37 0.41 0.41 -0.37 0.41 0.41 0.41 -0.37
67 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
68 0.55 0.55 0.55 0.55 0.55 0.55 0.35 -1.54 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
69 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
70 0.28 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 -0.59 0.28
71 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
72 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
75 0.81 -0.54 -0.54 0.81 0.81 0.81 -0.54 -0.54 0.81 0.81 -0.54 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81
76 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
77 0.09 0.09 0.09 1.07 0.09 1.07 0.09 0.09 1.07 0.09 0.09 1.07 0.09 1.07 0.09 0.09 0.09 1.07 1.07 1.07
78 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09
79 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
80 0.81 -0.28 -0.28 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 -0.94 -0.28 0.81 0.81 0.81 -0.28 0.81 -0.54
81 0.34 0.34 0.17 0.34 0.17 0.17 0.17 0.17 0.34 0.17 0.34 0.17 0.17 0.34 0.34 0.17 0.34 0.17 0.34 0.17
82 0.44 0.64 0.64 0.64 0.64 0.64 0.44 0.44 0.44 0.44 0.64 0.44 0.64 0.64 0.44 0.44 0.44 0.44 0.44 0.64
83 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 -0.41 0.24 0.24 0.24 0.24 0.24 0.24
84 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
85 1.18 0.44 0.44 1.18 0.44 1.18 0.44 1.18 1.18 1.18 1.18 0.44 0.44 0.44 1.18 1.18 1.18 0.44 0.44 1.18
86 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
87 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
88 0.10 0.10 0.10 0.10 0.10 0.10 0.10 -2.38 -2.38 0.10 0.10 -2.38 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
89 0.36 0.36 0.36 1.07 0.36 0.36 0.36 0.36 1.07 1.07 0.36 1.07 0.36 0.36 0.36 1.07 0.36 0.36 0.36 0.36
90 0.41 0.41 0.41 0.41 -0.68 0.41 -0.68 0.41 -0.68 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 0.41 0.41 -0.42 0.41
91 -0.49 -0.49 0.80 -0.49 -0.49 -0.49 -0.49 -0.49 0.80 -0.49 -0.49 -0.49 -0.49 -0.49 -0.53 -0.49 -0.49 -0.49 -0.49 0.80
#Reported_Model_Average 0.465 0.398 0.375 0.497 0.388 0.464 0.374 0.398 0.461 0.438 0.421 0.420 0.374 0.412 0.487 0.434 0.458 0.420 0.420 0.452
#Overall_Average_Reported 0.428
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
9.000 1 0 0 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 1 1
10.000 0 1 1 2 0 0 0 0 0 1 0 0 1 0 0 1 0 1 0 1
11.000 1 0 0 0 3 0 1 0 0 1 1 0 0 2 1 0 2 0 1 0
12.000 0 0 2 0 0 1 1 1 1 0 0 0 0 0 0 1 1 2 0 0
13.000 0 2 0 2 0 1 0 1 0 0 0 0 0 3 0 0 0 2 0 0
14.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
15.000 4 3 4 3 3 1 1 1 1 1 4 2 3 2 1 5 1 1 2 1
16.000 0 0 0 1 0 2 0 1 0 0 0 0 0 0 0 1 0 1 0 0
17.000 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1
24.000 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0
25.000 0 1 0 1 0 0 1 2 1 0 0 1 0 0 0 0 0 2 1 0
26.000 2 2 1 1 2 0 1 0 3 1 0 1 1 1 1 0 2 0 1 0
27.000 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 1 0 0
28.000 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
29.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
30.000 0 0 1 2 1 1 0 1 0 1 2 0 0 0 1 1 0 0 0 0
31.000 1 1 0 1 1 0 0 1 0 1 1 0 1 0 0 0 0 0 0 0
32.000 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0
33.000 0 1 2 2 0 3 0 2 1 0 0 2 1 2 1 1 2 3 2 2
34.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
35.000 1 1 1 1 2 1 2 1 2 3 1 2 1 1 1 1 1 1 1 2
36.000 1 3 1 1 1 3 1 0 2 2 0 1 1 1 1 1 0 2 2 1
37.000 1 1 0 1 1 2 2 2 2 2 0 3 2 1 1 0 2 2 1 1
38.000 2 1 2 2 3 1 2 1 1 2 1 1 0 2 1 3 0 2 1 2
39.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
40.000 0 0 1 0 0 1 0 0 1 0 1 1 3 2 1 0 0 0 1 0
41.000 3 3 1 0 0 0 1 1 0 0 0 2 0 2 3 1 1 0 1 2
42.000 0 0 0 0 0 1 1 0 0 1 1 1 0 2 0 0 0 0 1 2
45.000 2 0 1 1 0 1 2 1 1 0 1 0 0 0 1 0 3 0 0 0
46.000 0 0 0 3 2 1 1 1 0 0 1 0 0 1 1 0 1 0 0 1
47.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
48.000 2 0 1 1 0 0 2 1 1 0 1 0 0 0 1 0 2 0 0 0
49.000 0 1 0 1 0 2 0 0 0 1 0 1 0 1 0 0 3 4 0 0
50.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
51.000 3 1 2 1 4 1 0 1 0 0 2 3 1 1 0 2 1 0 1 1
52.000 0 1 0 1 0 3 0 3 0 0 2 1 2 1 0 2 0 4 0 1
53.000 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1
54.000 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0
55.000 2 2 0 0 0 1 1 2 1 2 1 1 2 1 1 1 1 0 1 3
59.000 0 1 1 0 0 1 0 0 0 0 0 2 0 0 0 1 0 1 1 0
60.000 0 1 0 2 0 0 0 0 1 0 1 2 0 0 0 1 0 0 0 0
61.000 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0
62.000 2 1 1 0 0 2 1 0 0 1 0 1 1 0 1 1 0 0 1 1
63.000 0 0 1 1 2 2 0 0 0 0 0 0 0 0 1 0 0 1 0 0
64.000 1 0 1 2 1 0 1 1 0 1 0 0 2 0 0 1 2 1 1 2
65.000 0 0 0 2 2 1 0 0 0 0 0 0 0 0 2 0 0 0 2 0
66.000 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1
67.000 1 0 1 0 0 2 0 2 0 0 1 0 1 0 1 1 2 1 1 2
68.000 0 1 0 0 0 0 0 0 0 0 1 0 1 0 0 3 0 1 0 1
69.000 2 0 0 0 2 0 1 0 0 1 1 0 0 0 0 1 1 0 0 2
70.000 0 0 0 0 0 0 0 2 2 1 1 0 0 1 0 0 0 1 0 0
71.000 0 0 0 0 0 0 0 0 2 1 1 0 0 1 0 0 0 0 0 0
72.000 0 1 0 1 1 2 2 1 0 2 5 2 2 2 3 1 0 1 1 1
75.000 2 2 0 0 3 2 2 0 1 3 1 3 2 1 3 2 1 1 0 3
76.000 1 0 0 1 1 0 1 1 0 1 1 1 0 0 1 0 0 0 1 2
77.000 0 1 0 0 0 0 0 2 1 0 2 1 1 1 0 0 1 1 1 1
78.000 1 0 0 1 3 1 1 0 1 1 1 0 0 3 1 1 1 1 2 0
79.000 1 2 0 0 0 1 1 0 2 0 1 1 0 1 0 0 1 0 2 0
80.000 2 2 1 1 5 2 5 2 1 3 5 3 1 1 4 3 1 1 1 1
81.000 2 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1
82.000 1 0 1 2 0 2 1 2 1 2 1 1 3 1 1 2 1 2 2 1
83.000 2 1 0 0 2 1 2 0 0 2 2 2 0 0 3 2 0 0 0 0
84.000 1 0 2 2 0 0 0 1 0 1 0 0 1 0 0 1 2 1 0 3
85.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0
86.000 1 0 0 0 1 1 2 1 0 0 0 0 2 0 0 0 0 0 1 0
87.000 0 0 0 1 1 2 0 2 0 1 0 0 0 0 1 0 0 0 1 0
88.000 1 1 1 0 0 1 0 0 0 1 1 2 1 0 1 1 0 0 1 1
89.000 2 1 1 2 3 0 2 0 3 2 1 3 1 1 2 0 2 0 1 0
90.000 0 0 0 0 2 0 0 0 0 0 1 1 0 0 0 0 2 2 0 0
91.000 0 0 0 1 3 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0
#Reported_Model_Average 0.743 0.629 0.543 0.743 0.857 0.786 0.671 0.700 0.529 0.686 0.771 0.757 0.614 0.586 0.643 0.686 0.686 0.686 0.571 0.671
#Overall_Average_Reported 0.678
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 76 LYS 1HB :A 38 GLU 1HB : -0.889: 0
: 1508:A 78 VAL CG2 :A 38 GLU 2HG : -0.404: 0
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.830: 0
: 1508:A 15 LEU 3HD2 :A 31 PRO 1HD : -0.553: 0
: 1508:A 51 ALA HA :A 69 VAL HA : -0.505: 0
: 1508:A 67 VAL 3HG1 :A 15 LEU 3HD1 : -0.499: 0
: 1508:A 51 ALA O :A 15 LEU HA : -0.450: 0
: 1508:A 69 VAL 2HG2 :A 51 ALA 2HB : -0.426: 0
: 1508:A 41 ASN 1HB :A 44 ILE HB : -0.630: 0
: 1508:A 75 ILE 1HD1 :A 41 ASN 2HB : -0.526: 0
: 1508:A 75 ILE CG2 :A 37 THR HB : -0.520: 0
: 1508:A 41 ASN 1HD2 :A 11 LEU 1HD2 : -0.503: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.616: 0
: 1508:A 82 PRO C :A 81 SER HA : -0.562: 0
: 1508:A 81 SER HA :A 83 ARG N : -0.541: 0
: 1508:A 80 ILE 3HG2 :A 83 ARG 1HG : -0.498: 0
: 1508:A 64 ASP 2HB :A 84 VAL CG1 : -0.554: 0
: 1508:A 9 PRO 2HD :A 7 ARG O : -0.535: 0
: 1508:A 36 LYS H :A 79 GLU 1HB : -0.514: 0
: 1508:A 17 ALA 1HB :A 20 THR OG1 : -0.514: 0
: 1508:A 20 THR CG2 :A 55 LEU 2HD1 : -0.486: 0
: 1508:A 89 LEU CD2 :A 26 ILE 1HG1 : -0.467: 0
: 1508:A 55 LEU 2HD2 :A 89 LEU 1HD1 : -0.454: 0
: 1508:A 26 ILE 2HG2 :A 28 THR H : -0.418: 0
: 1508:A 96 HIS 1HB :A 95 HIS O : -0.491: 0
: 1508:A 62 GLU 1HG :A 86 THR 2HG2 : -0.478: 0
: 1508:A 62 GLU HA :A 88 GLN HA : -0.444: 0
: 1508:A 45 ASN 1HB :A 48 GLU 1HB : -0.465: 0
: 1508:A 48 GLU CB :A 45 ASN 1HB : -0.438: 0
#sum2 ::19.23 clashscore : 19.23 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168802 potential dots:10550.0 A^2:29 bumps:29 bumps B<40:228.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.850: 0
: 1508:A 15 LEU 3HD2 :A 31 PRO 1HD : -0.506: 0
: 1508:A 51 ALA O :A 15 LEU HA : -0.466: 0
: 1508:A 25 MET 1HB :A 92 HIS 1HB : -0.790: 0
: 1508:A 55 LEU 2HB :A 58 SER 2HB : -0.627: 0
: 1508:A 58 SER 2HB :A 55 LEU O : -0.412: 0
: 1508:A 36 LYS 2HB :A 79 GLU 1HG : -0.621: 0
: 1508:A 10 THR HA :A 36 LYS HA : -0.606: 0
: 1508:A 36 LYS H :A 79 GLU 1HB : -0.529: 0
: 1508:A 18 LYS 1HB :A 52 TYR 1HB : -0.595: 0
: 1508:A 83 ARG 2HG :A 80 ILE O : -0.575: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.563: 0
: 1508:A 41 ASN 2HD2 :A 41 ASN N : -0.568: 0
: 1508:A 72 ILE HB :A 75 ILE HB : -0.493: 0
: 1508:A 75 ILE 1HD1 :A 41 ASN 2HB : -0.415: 0
: 1508:A 37 THR 2HG2 :A 77 ILE HA : -0.552: 0
: 1508:A 89 LEU CD2 :A 26 ILE 1HG1 : -0.530: 0
: 1508:A 26 ILE 2HG2 :A 28 THR H : -0.470: 0
: 1508:A 33 VAL CG1 :A 13 LEU 1HB : -0.479: 0
: 1508:A 13 LEU 2HD2 :A 49 LEU 1HB : -0.451: 0
: 1508:A 8 ASP 2HB :A 38 GLU HA : -0.439: 0
: 1508:A 68 LYS 1HD :A 54 ASP 1HB : -0.434: 0
: 1508:A 62 GLU HA :A 88 GLN HA : -0.417: 0
: 1508:A 17 ALA 1HB :A 20 THR OG1 : -0.417: 0
: 1508:A 60 PRO 2HD :A 59 GLU HA : -0.412: 0
#sum2 ::16.58 clashscore : 16.58 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168836 potential dots:10550.0 A^2:25 bumps:25 bumps B<40:278.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 21 PRO 1HG :A 58 SER 1HB : -0.886: 0
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.845: 0
: 1508:A 51 ALA O :A 15 LEU HA : -0.584: 0
: 1508:A 30 LEU 2HD2 :A 15 LEU 3HD2 : -0.468: 0
: 1508:A 15 LEU 2HD1 :A 51 ALA O : -0.414: 0
: 1508:A 41 ASN 1HB :A 44 ILE HB : -0.680: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.649: 0
: 1508:A 32 SER HA :A 14 SER HA : -0.640: 0
: 1508:A 33 VAL 1HG1 :A 67 VAL 1HG1 : -0.563: 0
: 1508:A 33 VAL O :A 12 THR HA : -0.408: 0
: 1508:A 12 THR 2HG2 :A 32 SER 1HB : -0.400: 0
: 1508:A 84 VAL 2HG2 :A 66 GLU 1HG : -0.544: 0
: 1508:A 64 ASP 2HB :A 84 VAL CG1 : -0.433: 0
: 1508:A 10 THR HA :A 36 LYS HA : -0.530: 0
: 1508:A 62 GLU 2HG :A 88 GLN 1HG : -0.526: 0
: 1508:A 8 ASP 2HB :A 38 GLU 1HG : -0.498: 0
: 1508:A 38 GLU 1HG :A 8 ASP CB : -0.459: 0
: 1508:A 7 ARG 1HG :A 40 TYR OH : -0.490: 0
: 1508:A 92 HIS 2HB :A 22 ALA O : -0.483: 0
: 1508:A 82 PRO HA :A 81 SER HA : -0.470: 0
: 1508:A 89 LEU CD2 :A 26 ILE 1HG1 : -0.456: 0
: 1508:A 48 GLU 2HG :A 45 ASN ND2 : -0.418: 0
: 1508:A 59 GLU 2HB :A 63 HIS CE1 : -0.404: 0
#sum2 ::15.25 clashscore : 15.25 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168847 potential dots:10550.0 A^2:23 bumps:23 bumps B<40:297.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 19 ASN 2HB :A 56 SER 2HB : -0.747: 0
: 1508:A 19 ASN CB :A 56 SER 2HB : -0.642: 0
: 1508:A 38 GLU 2HB :A 76 LYS 2HB : -0.628: 0
: 1508:A 78 VAL CG2 :A 38 GLU 1HB : -0.459: 0
: 1508:A 10 THR HA :A 36 LYS HA : -0.584: 0
: 1508:A 10 THR CG2 :A 34 ARG 2HG : -0.495: 0
: 1508:A 60 PRO HA :A 89 LEU 1HB : -0.577: 0
: 1508:A 89 LEU CD2 :A 26 ILE 1HG1 : -0.517: 0
: 1508:A 91 HIS CE1 :A 60 PRO 1HG : -0.479: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.571: 0
: 1508:A 25 MET 1HB :A 92 HIS 1HB : -0.563: 0
: 1508:A 33 VAL CG2 :A 13 LEU 1HB : -0.551: 0
: 1508:A 82 PRO 1HD :A 33 VAL 2HG1 : -0.440: 0
: 1508:A 46 VAL O :A 46 VAL 2HG1 : -0.425: 0
: 1508:A 13 LEU CD2 :A 46 VAL 3HG1 : -0.409: 0
: 1508:A 82 PRO HA :A 81 SER HA : -0.405: 0
: 1508:A 64 ASP 2HB :A 84 VAL CG1 : -0.525: 0
: 1508:A 64 ASP 2HB :A 84 VAL 2HG1 : -0.400: 0
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.521: 0
: 1508:A 51 ALA O :A 15 LEU HA : -0.470: 0
: 1508:A 31 PRO 2HD :A 30 LEU HA : -0.467: 0
: 1508:A 30 LEU 2HB :A 15 LEU 2HB : -0.406: 0
: 1508:A 63 HIS 1HB :A 65 TYR CZ : -0.490: 0
: 1508:A 65 TYR HD2 :A 87 LEU 1HB : -0.426: 0
: 1508:A 17 ALA 1HB :A 20 THR OG1 : -0.483: 0
: 1508:A 45 ASN ND2 :A 48 GLU 1HG : -0.465: 0
: 1508:A 16 ILE 2HG1 :A 52 TYR 2HB : -0.461: 0
: 1508:A 5 LEU O :A 5 LEU HG : -0.435: 0
: 1508:A 49 LEU 3HD1 :A 72 ILE 2HD1 : -0.433: 0
: 1508:A 9 PRO 2HD :A 8 ASP HA : -0.432: 0
: 1508:A 8 ASP 1HB :A 37 THR O : -0.416: 0
: 1508:A 74 ASN 1HB :A 73 PRO O : -0.418: 0
#sum2 ::21.22 clashscore : 21.22 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168631 potential dots:10540.0 A^2:32 bumps:32 bumps B<40:293.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 91 HIS H :A 90 GLU 1HG : -0.745: 0
: 1508:A 93 HIS H :A 91 HIS C : -0.479: 0
: 1508:A 90 GLU 1HG :A 91 HIS N : -0.426: 0
: 1508:A 80 ILE 3HG2 :A 83 ARG 1HG : -0.658: 0
: 1508:A 83 ARG 1HG :A 80 ILE CG2 : -0.643: 0
: 1508:A 11 LEU 1HB :A 35 VAL 3HG2 : -0.634: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.554: 0
: 1508:A 46 VAL 1HG1 :A 11 LEU 2HD2 : -0.473: 0
: 1508:A 80 ILE 1HG1 :A 80 ILE O : -0.438: 0
: 1508:A 46 VAL CG1 :A 11 LEU 2HD2 : -0.414: 0
: 1508:A 38 GLU 2HG :A 78 VAL CG2 : -0.617: 0
: 1508:A 78 VAL HB :A 36 LYS 1HB : -0.563: 0
: 1508:A 38 GLU 1HB :A 76 LYS 2HB : -0.431: 0
: 1508:A 38 GLU 2HG :A 78 VAL 2HG2 : -0.404: 0
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.606: 0
: 1508:A 51 ALA O :A 15 LEU HA : -0.481: 0
: 1508:A 51 ALA O :A 15 LEU 2HD1 : -0.457: 0
: 1508:A 51 ALA HA :A 69 VAL HA : -0.430: 0
: 1508:A 53 VAL 1HG2 :A 87 LEU 1HD1 : -0.418: 0
: 1508:A 69 VAL 2HG2 :A 51 ALA 2HB : -0.404: 0
: 1508:A 89 LEU CD2 :A 26 ILE 1HG1 : -0.582: 0
: 1508:A 61 GLY H :A 89 LEU 1HB : -0.446: 0
: 1508:A 89 LEU 3HD2 :A 26 ILE HA : -0.410: 0
: 1508:A 86 THR HA :A 64 ASP HA : -0.560: 0
: 1508:A 63 HIS 1HB :A 65 TYR CZ : -0.527: 0
: 1508:A 65 TYR CE2 :A 63 HIS 1HB : -0.496: 0
: 1508:A 75 ILE CG2 :A 37 THR HB : -0.514: 0
: 1508:A 39 GLY 2HA :A 75 ILE 3HG2 : -0.478: 0
: 1508:A 72 ILE CG2 :A 75 ILE HB : -0.451: 0
: 1508:A 31 PRO 2HD :A 30 LEU HA : -0.438: 0
: 1508:A 17 ALA 1HB :A 20 THR OG1 : -0.438: 0
#sum2 ::20.56 clashscore : 20.56 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168867 potential dots:10550.0 A^2:31 bumps:31 bumps B<40:274.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 33 VAL 1HG1 :A 67 VAL 1HG1 : -0.850: 0
: 1508:A 82 PRO 1HD :A 33 VAL 2HG1 : -0.558: 0
: 1508:A 82 PRO HA :A 81 SER HA : -0.432: 0
: 1508:A 12 THR HA :A 33 VAL O : -0.421: 0
: 1508:A 51 ALA 1HB :A 67 VAL CG1 : -0.401: 0
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.768: 0
: 1508:A 83 ARG 2HG :A 80 ILE HB : -0.729: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.556: 0
: 1508:A 62 GLU 1HG :A 88 GLN 1HB : -0.622: 0
: 1508:A 62 GLU HA :A 87 LEU O : -0.481: 0
: 1508:A 87 LEU 1HB :A 65 TYR CE2 : -0.431: 0
: 1508:A 42 PRO 2HD :A 40 TYR O : -0.596: 0
: 1508:A 44 ILE HB :A 46 VAL 3HG1 : -0.594: 0
: 1508:A 45 ASN N :A 44 ILE 2HG2 : -0.411: 0
: 1508:A 52 TYR 2HB :A 16 ILE CG1 : -0.557: 0
: 1508:A 18 LYS 1HB :A 52 TYR 1HB : -0.517: 0
: 1508:A 16 ILE 2HG1 :A 52 TYR 2HB : -0.418: 0
: 1508:A 72 ILE HB :A 75 ILE O : -0.554: 0
: 1508:A 37 THR O :A 9 PRO 1HD : -0.497: 0
: 1508:A 49 LEU CD1 :A 72 ILE 1HG1 : -0.461: 0
: 1508:A 75 ILE CG2 :A 37 THR HB : -0.427: 0
: 1508:A 49 LEU O :A 13 LEU 2HD2 : -0.408: 0
: 1508:A 78 VAL CG2 :A 38 GLU 1HB : -0.536: 0
: 1508:A 59 GLU 1HB :A 63 HIS NE2 : -0.497: 0
: 1508:A 63 HIS O :A 86 THR HA : -0.487: 0
: 1508:A 21 PRO 2HD :A 55 LEU O : -0.449: 0
: 1508:A 21 PRO 1HD :A 24 SER OG : -0.422: 0
: 1508:A 21 PRO 2HD :A 20 THR HA : -0.405: 0
: 1508:A 36 LYS 1HB :A 79 GLU 2HB : -0.439: 0
: 1508:A 36 LYS 2HB :A 36 LYS 2HE : -0.418: 0
: 1508:A 30 LEU 1HD1 :A 17 ALA 2HB : -0.410: 0
#sum2 ::20.56 clashscore : 20.56 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168532 potential dots:10530.0 A^2:31 bumps:31 bumps B<40:278.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 80 ILE 3HG2 :A 83 ARG 1HG : -0.858: 0
: 1508:A 83 ARG 1HG :A 80 ILE CG2 : -0.574: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.573: 0
: 1508:A 69 VAL 1HG2 :A 35 VAL 1HG1 : -0.413: 0
: 1508:A 80 ILE 1HG1 :A 80 ILE O : -0.408: 0
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.831: 0
: 1508:A 46 VAL 1HG1 :A 11 LEU 2HD2 : -0.697: 0
: 1508:A 25 MET 1HB :A 92 HIS 1HB : -0.623: 0
: 1508:A 75 ILE CG2 :A 37 THR HB : -0.572: 0
: 1508:A 37 THR HB :A 75 ILE 2HG2 : -0.433: 0
: 1508:A 45 ASN 1HB :A 48 GLU 2HG : -0.562: 0
: 1508:A 45 ASN 1HB :A 48 GLU CG : -0.423: 0
: 1508:A 36 LYS H :A 79 GLU 1HB : -0.553: 0
: 1508:A 24 SER 2HB :A 89 LEU 2HD2 : -0.544: 0
: 1508:A 89 LEU CD2 :A 26 ILE 1HG1 : -0.464: 0
: 1508:A 62 GLU 2HB :A 86 THR 2HG2 : -0.532: 0
: 1508:A 86 THR HA :A 64 ASP HA : -0.441: 0
: 1508:A 17 ALA 1HB :A 20 THR OG1 : -0.479: 0
: 1508:A 20 THR OG1 :A 55 LEU 2HD1 : -0.478: 0
: 1508:A 21 PRO 2HD :A 20 THR HA : -0.441: 0
: 1508:A 38 GLU 2HG :A 78 VAL CG2 : -0.459: 0
: 1508:A 76 LYS 1HB :A 38 GLU 1HB : -0.430: 0
: 1508:A 82 PRO C :A 81 SER HA : -0.442: 0
: 1508:A 42 PRO 2HD :A 41 ASN HA : -0.420: 0
: 1508:A 72 ILE 2HD1 :A 72 ILE H : -0.400: 0
: 1508:A 12 THR 2HG2 :A 32 SER 2HB : -0.400: 0
#sum2 ::17.24 clashscore : 17.24 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168857 potential dots:10550.0 A^2:26 bumps:26 bumps B<40:288.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.916: 0
: 1508:A 52 TYR HE1 :A 70 GLU 1HB : -0.685: 0
: 1508:A 70 GLU 1HB :A 52 TYR CE1 : -0.425: 0
: 1508:A 52 TYR CE2 :A 16 ILE 1HD1 : -0.419: 0
: 1508:A 33 VAL 1HG1 :A 67 VAL 1HG1 : -0.683: 0
: 1508:A 82 PRO 1HD :A 33 VAL 2HG1 : -0.552: 0
: 1508:A 67 VAL 3HG1 :A 51 ALA 1HB : -0.469: 0
: 1508:A 81 SER HA :A 82 PRO HA : -0.423: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.641: 0
: 1508:A 9 PRO 1HG :A 37 THR OG1 : -0.603: 0
: 1508:A 37 THR 2HG2 :A 77 ILE HA : -0.574: 0
: 1508:A 41 ASN 2HB :A 9 PRO 2HG : -0.455: 0
: 1508:A 77 ILE 1HD1 :A 80 ILE 1HG1 : -0.404: 0
: 1508:A 17 ALA 1HB :A 20 THR OG1 : -0.565: 0
: 1508:A 93 HIS H :A 91 HIS C : -0.548: 0
: 1508:A 48 GLU 1HB :A 45 ASN ND2 : -0.540: 0
: 1508:A 84 VAL 2HG2 :A 66 GLU 1HG : -0.539: 0
: 1508:A 55 LEU 1HD2 :A 87 LEU 2HD1 : -0.521: 0
: 1508:A 87 LEU CD1 :A 55 LEU 1HD2 : -0.404: 0
: 1508:A 76 LYS 2HD :A 38 GLU 2HB : -0.479: 0
: 1508:A 25 MET 1HB :A 92 HIS 1HB : -0.468: 0
: 1508:A 25 MET 1HB :A 92 HIS CB : -0.411: 0
: 1508:A 13 LEU 3HD2 :A 46 VAL 3HG1 : -0.444: 0
: 1508:A 86 THR HA :A 64 ASP HA : -0.420: 0
: 1508:A 31 PRO 2HD :A 30 LEU HA : -0.418: 0
: 1508:A 12 THR 2HG2 :A 32 SER 2HB : -0.409: 0
: 1508:A 73 PRO 2HD :A 72 ILE HA : -0.403: 0
#sum2 ::17.90 clashscore : 17.90 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168982 potential dots:10560.0 A^2:27 bumps:27 bumps B<40:275.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.743: 0
: 1508:A 38 GLU 2HG :A 78 VAL CG2 : -0.597: 0
: 1508:A 37 THR 2HG2 :A 77 ILE HA : -0.557: 0
: 1508:A 75 ILE CG2 :A 37 THR HB : -0.491: 0
: 1508:A 89 LEU CD2 :A 26 ILE 1HG1 : -0.546: 0
: 1508:A 89 LEU 3HD2 :A 26 ILE HA : -0.420: 0
: 1508:A 26 ILE 1HG1 :A 89 LEU 1HD2 : -0.418: 0
: 1508:A 40 TYR HE1 :A 7 ARG HA : -0.545: 0
: 1508:A 55 LEU 2HD1 :A 20 THR 3HG2 : -0.526: 0
: 1508:A 17 ALA 1HB :A 20 THR OG1 : -0.430: 0
: 1508:A 21 PRO 2HD :A 20 THR HA : -0.430: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.478: 0
: 1508:A 36 LYS 2HE :A 8 ASP 2HB : -0.442: 0
: 1508:A 79 GLU O :A 35 VAL HA : -0.422: 0
: 1508:A 79 GLU 1HB :A 36 LYS H : -0.407: 0
: 1508:A 91 HIS 1HB :A 60 PRO 2HB : -0.467: 0
: 1508:A 25 MET 1HB :A 92 HIS NE2 : -0.466: 0
: 1508:A 82 PRO HA :A 81 SER HA : -0.457: 0
: 1508:A 48 GLU 2HG :A 45 ASN ND2 : -0.436: 0
: 1508:A 70 GLU OE1 :A 71 PRO 1HD : -0.435: 0
: 1508:A 71 PRO 1HD :A 70 GLU HA : -0.403: 0
: 1508:A 12 THR HA :A 33 VAL O : -0.427: 0
#sum2 ::14.59 clashscore : 14.59 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168796 potential dots:10550.0 A^2:22 bumps:22 bumps B<40:311.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 88 GLN 1HG :A 62 GLU 1HG : -0.903: 0
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.886: 0
: 1508:A 44 ILE 2HG1 :A 75 ILE 1HD1 : -0.774: 0
: 1508:A 42 PRO 1HD :A 44 ILE 1HG1 : -0.596: 0
: 1508:A 75 ILE 2HG2 :A 37 THR HB : -0.524: 0
: 1508:A 75 ILE CG2 :A 37 THR HB : -0.437: 0
: 1508:A 44 ILE 3HG2 :A 49 LEU 1HD1 : -0.418: 0
: 1508:A 76 LYS 1HB :A 38 GLU 1HB : -0.659: 0
: 1508:A 38 GLU 2HG :A 78 VAL CG2 : -0.427: 0
: 1508:A 83 ARG 2HG :A 80 ILE O : -0.609: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.582: 0
: 1508:A 11 LEU 1HB :A 35 VAL 3HG2 : -0.530: 0
: 1508:A 69 VAL 1HG2 :A 35 VAL 1HG1 : -0.452: 0
: 1508:A 83 ARG 1HG :A 80 ILE HB : -0.408: 0
: 1508:A 64 ASP 2HB :A 84 VAL CG1 : -0.578: 0
: 1508:A 20 THR OG1 :A 55 LEU 2HD1 : -0.546: 0
: 1508:A 17 ALA 1HB :A 20 THR OG1 : -0.429: 0
: 1508:A 55 LEU 1HD2 :A 87 LEU 2HD1 : -0.402: 0
: 1508:A 10 THR HA :A 36 LYS HA : -0.534: 0
: 1508:A 8 ASP OD2 :A 36 LYS 1HE : -0.404: 0
: 1508:A 82 PRO 1HG :A 85 VAL 2HG1 : -0.506: 0
: 1508:A 81 SER HA :A 82 PRO HA : -0.430: 0
: 1508:A 89 LEU CD2 :A 26 ILE 1HG1 : -0.460: 0
: 1508:A 89 LEU 1HB :A 61 GLY H : -0.407: 0
: 1508:A 72 ILE C :A 74 ASN H : -0.443: 0
: 1508:A 74 ASN H :A 72 ILE 2HG2 : -0.411: 0
: 1508:A 71 PRO 2HD :A 70 GLU HA : -0.434: 0
: 1508:A 31 PRO 2HD :A 30 LEU HA : -0.403: 0
#sum2 ::18.57 clashscore : 18.57 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168763 potential dots:10550.0 A^2:28 bumps:28 bumps B<40:234.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 19 ASN 1HB :A 54 ASP HA : -0.866: 0
: 1508:A 11 LEU 1HD1 :A 46 VAL HB : -0.726: 0
: 1508:A 38 GLU 2HB :A 76 LYS 1HB : -0.710: 0
: 1508:A 79 GLU 2HG :A 78 VAL 2HG1 : -0.638: 0
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.633: 0
: 1508:A 51 ALA O :A 15 LEU 2HD1 : -0.481: 0
: 1508:A 67 VAL 3HG1 :A 15 LEU 3HD1 : -0.454: 0
: 1508:A 31 PRO 2HD :A 30 LEU HA : -0.446: 0
: 1508:A 30 LEU 2HB :A 15 LEU 2HB : -0.410: 0
: 1508:A 51 ALA HA :A 69 VAL HA : -0.410: 0
: 1508:A 18 LYS 1HB :A 52 TYR 1HB : -0.596: 0
: 1508:A 52 TYR CE2 :A 68 LYS 2HD : -0.462: 0
: 1508:A 60 PRO HA :A 89 LEU 1HB : -0.590: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.574: 0
: 1508:A 77 ILE 1HD1 :A 80 ILE 1HG1 : -0.503: 0
: 1508:A 83 ARG 1HG :A 80 ILE HB : -0.463: 0
: 1508:A 77 ILE CD1 :A 80 ILE 1HG1 : -0.435: 0
: 1508:A 83 ARG CG :A 80 ILE HB : -0.433: 0
: 1508:A 45 ASN 2HB :A 48 GLU 1HG : -0.570: 0
: 1508:A 72 ILE H :A 72 ILE 2HD1 : -0.545: 0
: 1508:A 72 ILE HB :A 75 ILE HB : -0.478: 0
: 1508:A 72 ILE N :A 72 ILE 2HD1 : -0.434: 0
: 1508:A 17 ALA 1HB :A 20 THR OG1 : -0.537: 0
: 1508:A 55 LEU 2HD1 :A 20 THR 3HG2 : -0.479: 0
: 1508:A 82 PRO HA :A 81 SER HA : -0.490: 0
: 1508:A 88 GLN HA :A 61 GLY O : -0.480: 0
: 1508:A 70 GLU 2HG :A 71 PRO 1HD : -0.451: 0
: 1508:A 27 MET SD :A 90 GLU 1HB : -0.450: 0
: 1508:A 42 PRO 2HD :A 40 TYR O : -0.426: 0
: 1508:A 5 LEU HG :A 7 ARG H : -0.422: 0
#sum2 ::19.89 clashscore : 19.89 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168882 potential dots:10560.0 A^2:30 bumps:30 bumps B<40:266.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 88 GLN 1HG :A 62 GLU 1HG : -1.009: 0
: 1508:A 88 GLN 1HB :A 27 MET 1HB : -0.589: 0
: 1508:A 25 MET 1HB :A 92 HIS 1HB : -0.781: 0
: 1508:A 72 ILE 1HG1 :A 49 LEU 3HD1 : -0.639: 0
: 1508:A 75 ILE CG2 :A 37 THR HB : -0.585: 0
: 1508:A 37 THR 2HG2 :A 77 ILE HA : -0.570: 0
: 1508:A 72 ILE CG2 :A 75 ILE HB : -0.418: 0
: 1508:A 37 THR HB :A 75 ILE 2HG2 : -0.412: 0
: 1508:A 38 GLU 1HB :A 76 LYS 2HB : -0.633: 0
: 1508:A 8 ASP 2HB :A 36 LYS 1HE : -0.621: 0
: 1508:A 83 ARG 1HG :A 80 ILE HB : -0.597: 0
: 1508:A 79 GLU O :A 35 VAL HA : -0.585: 0
: 1508:A 83 ARG 2HG :A 80 ILE O : -0.544: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.536: 0
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.559: 0
: 1508:A 33 VAL 1HG1 :A 51 ALA 2HB : -0.553: 0
: 1508:A 51 ALA CB :A 33 VAL 1HG1 : -0.492: 0
: 1508:A 51 ALA O :A 15 LEU 2HD1 : -0.446: 0
: 1508:A 91 HIS H :A 90 GLU 1HG : -0.515: 0
: 1508:A 59 GLU O :A 89 LEU 1HB : -0.499: 0
: 1508:A 89 LEU O :A 60 PRO HA : -0.478: 0
: 1508:A 60 PRO 2HD :A 59 GLU HA : -0.425: 0
: 1508:A 89 LEU CD2 :A 26 ILE 1HG1 : -0.404: 0
: 1508:A 17 ALA 1HB :A 20 THR OG1 : -0.498: 0
: 1508:A 55 LEU 2HD1 :A 20 THR 3HG2 : -0.451: 0
: 1508:A 21 PRO 2HD :A 20 THR HA : -0.447: 0
: 1508:A 41 ASN CB :A 44 ILE 2HD1 : -0.480: 0
: 1508:A 44 ILE 2HD1 :A 41 ASN 2HB : -0.458: 0
: 1508:A 82 PRO HA :A 81 SER HA : -0.446: 0
: 1508:A 18 LYS 1HB :A 52 TYR 1HB : -0.436: 0
: 1508:A 19 ASN OD1 :A 18 LYS 1HG : -0.435: 0
: 1508:A 42 PRO 2HD :A 40 TYR C : -0.434: 0
#sum2 ::21.22 clashscore : 21.22 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168783 potential dots:10550.0 A^2:32 bumps:32 bumps B<40:236.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 21 PRO 1HG :A 58 SER HA : -0.685: 0
: 1508:A 40 TYR HD1 :A 1 SER 2HB : -0.639: 0
: 1508:A 1 SER 2HB :A 40 TYR CD1 : -0.456: 0
: 1508:A 40 TYR OH :A 7 ARG 2HG : -0.418: 0
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.628: 0
: 1508:A 51 ALA O :A 15 LEU HA : -0.492: 0
: 1508:A 15 LEU 3HD2 :A 31 PRO 1HD : -0.445: 0
: 1508:A 86 THR HA :A 64 ASP HA : -0.585: 0
: 1508:A 64 ASP 1HB :A 84 VAL 2HG1 : -0.468: 0
: 1508:A 62 GLU 1HG :A 86 THR CG2 : -0.455: 0
: 1508:A 10 THR HA :A 36 LYS HA : -0.572: 0
: 1508:A 37 THR 2HG2 :A 77 ILE HA : -0.566: 0
: 1508:A 75 ILE CG2 :A 37 THR HB : -0.476: 0
: 1508:A 75 ILE H :A 73 PRO C : -0.428: 0
: 1508:A 17 ALA 1HB :A 20 THR OG1 : -0.563: 0
: 1508:A 55 LEU 1HB :A 20 THR HA : -0.462: 0
: 1508:A 55 LEU 2HD1 :A 20 THR 3HG2 : -0.452: 0
: 1508:A 82 PRO 1HD :A 33 VAL 2HG1 : -0.517: 0
: 1508:A 82 PRO C :A 81 SER HA : -0.500: 0
: 1508:A 67 VAL 1HG2 :A 82 PRO 1HG : -0.403: 0
: 1508:A 72 ILE H :A 72 ILE 2HD1 : -0.514: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.491: 0
: 1508:A 89 LEU CD2 :A 26 ILE 1HG1 : -0.478: 0
: 1508:A 68 LYS 1HB :A 52 TYR CE1 : -0.457: 0
: 1508:A 18 LYS 2HD :A 52 TYR CD1 : -0.407: 0
: 1508:A 88 GLN 2HB :A 27 MET 1HB : -0.425: 0
: 1508:A 23 ASN O :A 91 HIS HA : -0.403: 0
#sum2 ::17.90 clashscore : 17.90 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168869 potential dots:10550.0 A^2:27 bumps:27 bumps B<40:294.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.833: 0
: 1508:A 51 ALA O :A 15 LEU HA : -0.496: 0
: 1508:A 17 ALA 1HB :A 20 THR OG1 : -0.637: 0
: 1508:A 20 THR OG1 :A 55 LEU 2HD1 : -0.489: 0
: 1508:A 36 LYS 2HE :A 8 ASP 2HB : -0.611: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.563: 0
: 1508:A 37 THR 2HG2 :A 77 ILE HA : -0.562: 0
: 1508:A 41 ASN ND2 :A 11 LEU 1HD2 : -0.555: 0
: 1508:A 41 ASN 2HD2 :A 11 LEU 1HD2 : -0.471: 0
: 1508:A 72 ILE H :A 72 ILE 2HD1 : -0.538: 0
: 1508:A 42 PRO 2HD :A 40 TYR O : -0.525: 0
: 1508:A 42 PRO 2HD :A 40 TYR C : -0.458: 0
: 1508:A 89 LEU CD2 :A 26 ILE 1HG1 : -0.523: 0
: 1508:A 38 GLU 2HG :A 78 VAL CG2 : -0.508: 0
: 1508:A 79 GLU 2HG :A 78 VAL 2HG1 : -0.434: 0
: 1508:A 78 VAL 1HG2 :A 38 GLU 2HG : -0.400: 0
: 1508:A 33 VAL CG2 :A 13 LEU 1HB : -0.491: 0
: 1508:A 13 LEU 2HD2 :A 49 LEU 1HB : -0.460: 0
: 1508:A 46 VAL HB :A 13 LEU 3HD2 : -0.436: 0
: 1508:A 82 PRO 1HD :A 33 VAL 2HG1 : -0.422: 0
: 1508:A 18 LYS 1HB :A 52 TYR 1HB : -0.452: 0
: 1508:A 18 LYS 1HG :A 19 ASN ND2 : -0.410: 0
: 1508:A 71 PRO 2HD :A 70 GLU HA : -0.431: 0
: 1508:A 44 ILE 2HD1 :A 75 ILE 1HD1 : -0.409: 0
#sum2 ::15.92 clashscore : 15.92 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168825 potential dots:10550.0 A^2:24 bumps:24 bumps B<40:273.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.822: 0
: 1508:A 74 ASN 1HB :A 44 ILE 1HD1 : -0.669: 0
: 1508:A 41 ASN 1HB :A 44 ILE HB : -0.642: 0
: 1508:A 75 ILE 1HD1 :A 41 ASN 2HB : -0.560: 0
: 1508:A 72 ILE H :A 72 ILE 2HD1 : -0.532: 0
: 1508:A 44 ILE HB :A 41 ASN CB : -0.435: 0
: 1508:A 72 ILE 1HG2 :A 75 ILE 2HD1 : -0.427: 0
: 1508:A 74 ASN 1HB :A 44 ILE CD1 : -0.412: 0
: 1508:A 75 ILE 1HG2 :A 37 THR HB : -0.400: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.626: 0
: 1508:A 83 ARG 1HG :A 80 ILE HB : -0.610: 0
: 1508:A 80 ILE HB :A 83 ARG CG : -0.430: 0
: 1508:A 83 ARG 2HG :A 80 ILE O : -0.417: 0
: 1508:A 62 GLU HA :A 88 GLN HA : -0.561: 0
: 1508:A 36 LYS 2HB :A 78 VAL HB : -0.557: 0
: 1508:A 11 LEU 1HD1 :A 46 VAL HB : -0.553: 0
: 1508:A 38 GLU 2HB :A 76 LYS 2HB : -0.535: 0
: 1508:A 63 HIS 1HB :A 65 TYR CZ : -0.531: 0
: 1508:A 87 LEU 1HB :A 65 TYR CE2 : -0.428: 0
: 1508:A 55 LEU 3HD2 :A 89 LEU 1HD1 : -0.522: 0
: 1508:A 89 LEU CD2 :A 26 ILE 1HG1 : -0.463: 0
: 1508:A 40 TYR OH :A 7 ARG 2HD : -0.442: 0
: 1508:A 81 SER HA :A 82 PRO HA : -0.434: 0
: 1508:A 30 LEU 1HD1 :A 17 ALA 2HB : -0.416: 0
: 1508:A 33 VAL 1HG2 :A 67 VAL 1HG1 : -0.413: 0
: 1508:A 21 PRO 2HD :A 20 THR HA : -0.409: 0
: 1508:A 45 ASN ND2 :A 48 GLU 2HG : -0.400: 0
#sum2 ::17.90 clashscore : 17.90 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168943 potential dots:10560.0 A^2:27 bumps:27 bumps B<40:325.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 62 GLU 1HG :A 88 GLN 1HB : -0.876: 0
: 1508:A 8 ASP 2HB :A 38 GLU 2HG : -0.854: 0
: 1508:A 78 VAL CG2 :A 38 GLU 1HB : -0.451: 0
: 1508:A 38 GLU 2HG :A 8 ASP CB : -0.426: 0
: 1508:A 83 ARG 1HG :A 80 ILE HB : -0.736: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.567: 0
: 1508:A 83 ARG 2HG :A 80 ILE O : -0.495: 0
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.656: 0
: 1508:A 51 ALA O :A 15 LEU HA : -0.553: 0
: 1508:A 82 PRO 1HG :A 85 VAL 2HG1 : -0.504: 0
: 1508:A 67 VAL 3HG1 :A 15 LEU 3HD1 : -0.494: 0
: 1508:A 15 LEU O :A 30 LEU 2HB : -0.458: 0
: 1508:A 51 ALA HA :A 69 VAL HA : -0.453: 0
: 1508:A 15 LEU 1HD2 :A 85 VAL 1HG2 : -0.411: 0
: 1508:A 81 SER HA :A 82 PRO HA : -0.406: 0
: 1508:A 17 ALA 1HB :A 20 THR OG1 : -0.578: 0
: 1508:A 55 LEU 2HD1 :A 20 THR 3HG2 : -0.484: 0
: 1508:A 23 ASN 2HB :A 22 ALA O : -0.574: 0
: 1508:A 68 LYS 1HD :A 52 TYR CZ : -0.566: 0
: 1508:A 68 LYS 2HD :A 68 LYS C : -0.516: 0
: 1508:A 52 TYR HA :A 16 ILE O : -0.401: 0
: 1508:A 75 ILE 2HG1 :A 41 ASN 2HB : -0.539: 0
: 1508:A 72 ILE CG2 :A 75 ILE HB : -0.518: 0
: 1508:A 64 ASP 2HB :A 84 VAL CG1 : -0.484: 0
: 1508:A 12 THR HA :A 33 VAL O : -0.478: 0
: 1508:A 10 THR HA :A 36 LYS HA : -0.458: 0
: 1508:A 60 PRO 2HD :A 59 GLU HA : -0.419: 0
#sum2 ::17.90 clashscore : 17.90 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:169010 potential dots:10560.0 A^2:27 bumps:27 bumps B<40:261.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 79 GLU 2HG :A 78 VAL 2HG1 : -0.855: 0
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.842: 0
: 1508:A 53 VAL 2HG1 :A 66 GLU O : -0.440: 0
: 1508:A 33 VAL 1HG1 :A 67 VAL 1HG1 : -0.551: 0
: 1508:A 33 VAL 1HG1 :A 67 VAL CG1 : -0.446: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.546: 0
: 1508:A 64 ASP 2HB :A 84 VAL CG1 : -0.538: 0
: 1508:A 64 ASP 2HB :A 84 VAL 2HG1 : -0.449: 0
: 1508:A 90 GLU 1HB :A 27 MET 1HG : -0.534: 0
: 1508:A 91 HIS H :A 90 GLU CD : -0.411: 0
: 1508:A 11 LEU 1HD2 :A 49 LEU 2HD1 : -0.520: 0
: 1508:A 11 LEU 1HD1 :A 46 VAL 2HG2 : -0.491: 0
: 1508:A 49 LEU 1HD1 :A 44 ILE CG2 : -0.485: 0
: 1508:A 41 ASN 1HB :A 44 ILE HB : -0.464: 0
: 1508:A 48 GLU CB :A 45 ASN 1HB : -0.458: 0
: 1508:A 45 ASN O :A 49 LEU HG : -0.438: 0
: 1508:A 48 GLU 2HB :A 45 ASN 1HB : -0.401: 0
: 1508:A 51 ALA HA :A 69 VAL HA : -0.514: 0
: 1508:A 75 ILE CG2 :A 37 THR HB : -0.493: 0
: 1508:A 37 THR 2HG2 :A 77 ILE HA : -0.405: 0
: 1508:A 96 HIS HA :A 22 ALA 1HB : -0.472: 0
: 1508:A 22 ALA 1HB :A 96 HIS CA : -0.443: 0
: 1508:A 89 LEU 3HD2 :A 26 ILE HA : -0.436: 0
: 1508:A 89 LEU CD2 :A 26 ILE 1HG1 : -0.414: 0
: 1508:A 81 SER HA :A 82 PRO HA : -0.419: 0
: 1508:A 34 ARG 1HG :A 12 THR 3HG2 : -0.419: 0
: 1508:A 54 ASP C :A 56 SER H : -0.406: 0
: 1508:A 55 LEU O :A 21 PRO 2HD : -0.404: 0
#sum2 ::18.57 clashscore : 18.57 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168814 potential dots:10550.0 A^2:28 bumps:28 bumps B<40:256.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.868: 0
: 1508:A 33 VAL 1HG1 :A 67 VAL 1HG1 : -0.642: 0
: 1508:A 12 THR HA :A 33 VAL O : -0.458: 0
: 1508:A 82 PRO HA :A 81 SER HA : -0.426: 0
: 1508:A 82 PRO 1HD :A 33 VAL 2HG1 : -0.413: 0
: 1508:A 12 THR 2HG2 :A 32 SER 1HB : -0.404: 0
: 1508:A 25 MET 1HB :A 92 HIS 1HB : -0.641: 0
: 1508:A 25 MET 2HB :A 90 GLU 2HB : -0.530: 0
: 1508:A 27 MET SD :A 90 GLU 1HB : -0.484: 0
: 1508:A 64 ASP 2HB :A 84 VAL CG1 : -0.601: 0
: 1508:A 10 THR HA :A 36 LYS HA : -0.596: 0
: 1508:A 78 VAL 1HG2 :A 38 GLU 2HG : -0.479: 0
: 1508:A 8 ASP 2HB :A 38 GLU 1HG : -0.434: 0
: 1508:A 8 ASP O :A 36 LYS 2HE : -0.413: 0
: 1508:A 37 THR 2HG2 :A 77 ILE HA : -0.571: 0
: 1508:A 75 ILE CG2 :A 37 THR HB : -0.416: 0
: 1508:A 19 ASN 2HB :A 56 SER 2HB : -0.567: 0
: 1508:A 19 ASN CB :A 56 SER 2HB : -0.517: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.559: 0
: 1508:A 18 LYS 1HD :A 52 TYR CD2 : -0.559: 0
: 1508:A 52 TYR CE2 :A 16 ILE 1HD1 : -0.509: 0
: 1508:A 68 LYS 2HB :A 52 TYR 1HB : -0.470: 0
: 1508:A 52 TYR HE1 :A 70 GLU 1HB : -0.404: 0
: 1508:A 13 LEU 2HD2 :A 49 LEU 1HB : -0.544: 0
: 1508:A 72 ILE 1HG1 :A 49 LEU 3HD1 : -0.458: 0
: 1508:A 49 LEU 1HD1 :A 44 ILE CG2 : -0.439: 0
: 1508:A 49 LEU 1HB :A 13 LEU CD2 : -0.411: 0
: 1508:A 59 GLU 1HB :A 63 HIS CE1 : -0.475: 0
: 1508:A 17 ALA 1HB :A 20 THR OG1 : -0.454: 0
#sum2 ::19.23 clashscore : 19.23 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168934 potential dots:10560.0 A^2:29 bumps:29 bumps B<40:273.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.770: 0
: 1508:A 51 ALA O :A 15 LEU HA : -0.404: 0
: 1508:A 79 GLU 2HG :A 78 VAL 2HG1 : -0.719: 0
: 1508:A 36 LYS 2HB :A 79 GLU 1HB : -0.526: 0
: 1508:A 78 VAL HB :A 36 LYS O : -0.498: 0
: 1508:A 25 MET 1HB :A 92 HIS 1HB : -0.711: 0
: 1508:A 65 TYR OH :A 59 GLU 1HB : -0.655: 0
: 1508:A 65 TYR HD2 :A 87 LEU 1HB : -0.575: 0
: 1508:A 33 VAL 1HG1 :A 67 VAL 1HG1 : -0.622: 0
: 1508:A 82 PRO 1HD :A 33 VAL 2HG1 : -0.498: 0
: 1508:A 81 SER HA :A 82 PRO HA : -0.442: 0
: 1508:A 11 LEU 1HD1 :A 41 ASN 1HD2 : -0.577: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.575: 0
: 1508:A 42 PRO 2HD :A 40 TYR O : -0.541: 0
: 1508:A 55 LEU 2HD1 :A 20 THR 3HG2 : -0.515: 0
: 1508:A 21 PRO 2HD :A 20 THR HA : -0.420: 0
: 1508:A 62 GLU HA :A 88 GLN HA : -0.494: 0
: 1508:A 89 LEU CD2 :A 26 ILE 1HG1 : -0.481: 0
: 1508:A 37 THR 2HG2 :A 77 ILE HA : -0.474: 0
: 1508:A 86 THR HA :A 64 ASP HA : -0.452: 0
: 1508:A 38 GLU 2HB :A 76 LYS 2HB : -0.449: 0
: 1508:A 23 ASN 1HB :A 22 ALA O : -0.427: 0
: 1508:A 9 PRO 2HD :A 7 ARG O : -0.425: 0
: 1508:A 73 PRO 2HD :A 72 ILE HA : -0.416: 0
#sum2 ::15.92 clashscore : 15.92 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168567 potential dots:10540.0 A^2:24 bumps:24 bumps B<40:256.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 42 PRO 2HB :A 2 SER HA : -0.960: 0
: 1508:A 42 PRO 2HB :A 2 SER CA : -0.613: 0
: 1508:A 69 VAL 1HG2 :A 35 VAL 1HG1 : -0.719: 0
: 1508:A 35 VAL 2HG1 :A 80 ILE HA : -0.654: 0
: 1508:A 69 VAL 2HG2 :A 51 ALA 2HB : -0.492: 0
: 1508:A 15 LEU 1HD1 :A 53 VAL 3HG1 : -0.669: 0
: 1508:A 33 VAL 1HG1 :A 67 VAL 1HG1 : -0.595: 0
: 1508:A 33 VAL 1HG1 :A 67 VAL CG1 : -0.404: 0
: 1508:A 62 GLU HA :A 88 GLN HA : -0.568: 0
: 1508:A 68 LYS 2HD :A 52 TYR CZ : -0.568: 0
: 1508:A 75 ILE CD1 :A 41 ASN 2HB : -0.540: 0
: 1508:A 72 ILE CG2 :A 75 ILE HB : -0.531: 0
: 1508:A 75 ILE 1HD1 :A 41 ASN 2HB : -0.434: 0
: 1508:A 20 THR HB :A 55 LEU 2HD1 : -0.536: 0
: 1508:A 55 LEU 2HD1 :A 17 ALA 1HB : -0.430: 0
: 1508:A 20 THR HB :A 55 LEU CD1 : -0.423: 0
: 1508:A 4 THR 2HG2 :A 6 ASP H : -0.524: 0
: 1508:A 76 LYS 2HB :A 38 GLU 2HG : -0.520: 0
: 1508:A 76 LYS 2HB :A 38 GLU CG : -0.453: 0
: 1508:A 37 THR 2HG2 :A 77 ILE HA : -0.518: 0
: 1508:A 82 PRO C :A 81 SER HA : -0.504: 0
: 1508:A 9 PRO 2HD :A 7 ARG O : -0.469: 0
: 1508:A 64 ASP 2HB :A 84 VAL CG1 : -0.452: 0
: 1508:A 46 VAL 3HG2 :A 47 ASN OD1 : -0.452: 0
: 1508:A 64 ASP 2HB :A 84 VAL 1HG1 : -0.442: 0
: 1508:A 84 VAL 2HG2 :A 66 GLU 1HG : -0.441: 0
: 1508:A 10 THR HA :A 36 LYS HA : -0.440: 0
#sum2 ::17.90 clashscore : 17.90 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168716 potential dots:10540.0 A^2:27 bumps:27 bumps B<40:300.1 score
Output from PDB validation software
Summary from PDB validation
May. 10, 01:18:59 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 1HG GLU 62 - A 1HG GLN 88 12 Dist = 1.30
A HA SER 2 - A 2HB PRO 42 20 Dist = 1.39
A 1HG ARG 7 - A HH TYR 40 10 Dist = 1.40
A 1HG GLU 62 - A 1HG GLN 88 10 Dist = 1.43
A 1HG GLU 62 - A 1HB GLN 88 16 Dist = 1.45
A 1HG PRO 21 - A 2HB SER 58 3 Dist = 1.46
A 1HB ASN 19 - A HA ASP 54 11 Dist = 1.46
A 2HD1 LEU 15 - A 2HG1 VAL 53 10 Dist = 1.46
A 1HD1 LEU 15 - A 1HG1 VAL 53 8 Dist = 1.46
A 1HB GLU 38 - A 1HB LYS 76 1 Dist = 1.47
A 3HD1 LEU 15 - A 3HG1 VAL 53 18 Dist = 1.48
A 2HB ASP 8 - A 2HG GLU 38 16 Dist = 1.49
A 1HG2 ILE 80 - A 1HG ARG 83 7 Dist = 1.50
A 3HD1 LEU 15 - A 1HG1 VAL 53 17 Dist = 1.50
A 3HD1 LEU 15 - A 1HG1 VAL 53 3 Dist = 1.50
A 2HD1 LEU 15 - A 1HG1 VAL 53 2 Dist = 1.51
A 2HG1 VAL 33 - A 1HG1 VAL 67 6 Dist = 1.51
A 1HD1 LEU 15 - A 1HG1 VAL 53 15 Dist = 1.51
A HE1 TYR 52 - A 1HB GLU 70 8 Dist = 1.52
A 2HD1 LEU 5 - A 1HZ LYS 36 10 Dist = 1.53
A HH TYR 65 - A 1HD1 LEU 89 19 Dist = 1.53
A 3HD1 LEU 15 - A 3HG1 VAL 53 14 Dist = 1.54
A 3HD1 LEU 15 - A 2HG1 VAL 53 1 Dist = 1.54
A 3HZ LYS 36 - A OE2 GLU 38 12 Dist = 1.54
A HG1 THR 20 - A 1HB LEU 55 8 Dist = 1.54
A 3HD1 LEU 15 - A 1HG1 VAL 53 7 Dist = 1.54
A 1HB SER 1 - A HD1 TYR 40 13 Dist = 1.55
A 1HB MET 25 - A 1HB HIS 92 2 Dist = 1.56
A 1HD1 LEU 15 - A 3HG1 VAL 53 6 Dist = 1.56
A OD2 ASP 8 - A 3HZ LYS 36 3 Dist = 1.57
A OD2 ASP 54 - A 2HZ LYS 68 6 Dist = 1.58
A 2HD1 LEU 15 - A 3HG1 VAL 53 19 Dist = 1.58
A 1HB MET 25 - A 1HB HIS 92 12 Dist = 1.58
A 2HB ASN 19 - A 1HB SER 56 4 Dist = 1.59
A OD1 ASP 54 - A HG SER 56 2 Dist = 1.59
A 2HG1 ILE 44 - A 3HD1 ILE 75 10 Dist = 1.59
A OE2 GLU 90 - A HE2 HIS 94 10 Dist = 1.59
A HH TYR 65 - A 2HD1 LEU 89 4 Dist = 1.60
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.004 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.6 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-3.9 HIS A 95 1 N - CA - C 107.3 111.2
-4.0 HIS A 93 8 N - CA - C 107.2 111.2
-4.1 HIS A 95 16 N - CA - C 107.1 111.2
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A GLN 3 1HE2
1 A GLN 3 2HE2
1 A ASN 19 1HD2
1 A ASN 19 2HD2
1 A ASN 23 1HD2
1 A ASN 23 2HD2
1 A ASN 41 1HD2
1 A ASN 41 2HD2
1 A ASN 45 1HD2
1 A ASN 45 2HD2
1 A ASN 47 1HD2
1 A ASN 47 2HD2
1 A ASN 74 1HD2
1 A ASN 74 2HD2
1 A GLN 88 1HE2
1 A GLN 88 2HE2
2 A GLN 3 1HE2
2 A GLN 3 2HE2
2 A ASN 19 1HD2
2 A ASN 19 2HD2
2 A ASN 23 1HD2
2 A ASN 23 2HD2
2 A ASN 41 1HD2
2 A ASN 41 2HD2
2 A ASN 45 1HD2
2 A ASN 45 2HD2
2 A ASN 47 1HD2
2 A ASN 47 2HD2
2 A ASN 74 1HD2
2 A ASN 74 2HD2
2 A GLN 88 1HE2
2 A GLN 88 2HE2
3 A GLN 3 1HE2
3 A GLN 3 2HE2
3 A ASN 19 1HD2
3 A ASN 19 2HD2
3 A ASN 23 1HD2
3 A ASN 23 2HD2
3 A ASN 41 1HD2
3 A ASN 41 2HD2
3 A ASN 45 1HD2
3 A ASN 45 2HD2
3 A ASN 47 1HD2
3 A ASN 47 2HD2
3 A ASN 74 1HD2
3 A ASN 74 2HD2
3 A GLN 88 1HE2
3 A GLN 88 2HE2
4 A GLN 3 1HE2
4 A GLN 3 2HE2
4 A ASN 19 1HD2
4 A ASN 19 2HD2
4 A ASN 23 1HD2
4 A ASN 23 2HD2
4 A ASN 41 1HD2
4 A ASN 41 2HD2
4 A ASN 45 1HD2
4 A ASN 45 2HD2
4 A ASN 47 1HD2
4 A ASN 47 2HD2
4 A ASN 74 1HD2
4 A ASN 74 2HD2
4 A GLN 88 1HE2
4 A GLN 88 2HE2
5 A GLN 3 1HE2
5 A GLN 3 2HE2
5 A ASN 19 1HD2
5 A ASN 19 2HD2
5 A ASN 23 1HD2
5 A ASN 23 2HD2
5 A ASN 41 1HD2
5 A ASN 41 2HD2
5 A ASN 45 1HD2
5 A ASN 45 2HD2
5 A ASN 47 1HD2
5 A ASN 47 2HD2
5 A ASN 74 1HD2
5 A ASN 74 2HD2
5 A GLN 88 1HE2
5 A GLN 88 2HE2
6 A GLN 3 1HE2
6 A GLN 3 2HE2
6 A ASN 19 1HD2
6 A ASN 19 2HD2
6 A ASN 23 1HD2
6 A ASN 23 2HD2
6 A ASN 41 1HD2
6 A ASN 41 2HD2
6 A ASN 45 1HD2
6 A ASN 45 2HD2
6 A ASN 47 1HD2
6 A ASN 47 2HD2
6 A ASN 74 1HD2
6 A ASN 74 2HD2
6 A GLN 88 1HE2
6 A GLN 88 2HE2
7 A GLN 3 1HE2
7 A GLN 3 2HE2
7 A ASN 19 1HD2
7 A ASN 19 2HD2
7 A ASN 23 1HD2
7 A ASN 23 2HD2
7 A ASN 41 1HD2
7 A ASN 41 2HD2
7 A ASN 45 1HD2
7 A ASN 45 2HD2
7 A ASN 47 1HD2
7 A ASN 47 2HD2
7 A ASN 74 1HD2
7 A ASN 74 2HD2
7 A GLN 88 1HE2
7 A GLN 88 2HE2
8 A GLN 3 1HE2
8 A GLN 3 2HE2
8 A ASN 19 1HD2
8 A ASN 19 2HD2
8 A ASN 23 1HD2
8 A ASN 23 2HD2
8 A ASN 41 1HD2
8 A ASN 41 2HD2
8 A ASN 45 1HD2
8 A ASN 45 2HD2
8 A ASN 47 1HD2
8 A ASN 47 2HD2
8 A ASN 74 1HD2
8 A ASN 74 2HD2
8 A GLN 88 1HE2
8 A GLN 88 2HE2
9 A GLN 3 1HE2
9 A GLN 3 2HE2
9 A ASN 19 1HD2
9 A ASN 19 2HD2
9 A ASN 23 1HD2
9 A ASN 23 2HD2
9 A ASN 41 1HD2
9 A ASN 41 2HD2
9 A ASN 45 1HD2
9 A ASN 45 2HD2
9 A ASN 47 1HD2
9 A ASN 47 2HD2
9 A ASN 74 1HD2
9 A ASN 74 2HD2
9 A GLN 88 1HE2
9 A GLN 88 2HE2
10 A GLN 3 1HE2
10 A GLN 3 2HE2
10 A ASN 19 1HD2
10 A ASN 19 2HD2
10 A ASN 23 1HD2
10 A ASN 23 2HD2
10 A ASN 41 1HD2
10 A ASN 41 2HD2
10 A ASN 45 1HD2
10 A ASN 45 2HD2
10 A ASN 47 1HD2
10 A ASN 47 2HD2
10 A ASN 74 1HD2
10 A ASN 74 2HD2
10 A GLN 88 1HE2
10 A GLN 88 2HE2
11 A GLN 3 1HE2
11 A GLN 3 2HE2
11 A ASN 19 1HD2
11 A ASN 19 2HD2
11 A ASN 23 1HD2
11 A ASN 23 2HD2
11 A ASN 41 1HD2
11 A ASN 41 2HD2
11 A ASN 45 1HD2
11 A ASN 45 2HD2
11 A ASN 47 1HD2
11 A ASN 47 2HD2
11 A ASN 74 1HD2
11 A ASN 74 2HD2
11 A GLN 88 1HE2
11 A GLN 88 2HE2
12 A GLN 3 1HE2
12 A GLN 3 2HE2
12 A ASN 19 1HD2
12 A ASN 19 2HD2
12 A ASN 23 1HD2
12 A ASN 23 2HD2
12 A ASN 41 1HD2
12 A ASN 41 2HD2
12 A ASN 45 1HD2
12 A ASN 45 2HD2
12 A ASN 47 1HD2
12 A ASN 47 2HD2
12 A ASN 74 1HD2
12 A ASN 74 2HD2
12 A GLN 88 1HE2
12 A GLN 88 2HE2
13 A GLN 3 1HE2
13 A GLN 3 2HE2
13 A ASN 19 1HD2
13 A ASN 19 2HD2
13 A ASN 23 1HD2
13 A ASN 23 2HD2
13 A ASN 41 1HD2
13 A ASN 41 2HD2
13 A ASN 45 1HD2
13 A ASN 45 2HD2
13 A ASN 47 1HD2
13 A ASN 47 2HD2
13 A ASN 74 1HD2
13 A ASN 74 2HD2
13 A GLN 88 1HE2
13 A GLN 88 2HE2
14 A GLN 3 1HE2
14 A GLN 3 2HE2
14 A ASN 19 1HD2
14 A ASN 19 2HD2
14 A ASN 23 1HD2
14 A ASN 23 2HD2
14 A ASN 41 1HD2
14 A ASN 41 2HD2
14 A ASN 45 1HD2
14 A ASN 45 2HD2
14 A ASN 47 1HD2
14 A ASN 47 2HD2
14 A ASN 74 1HD2
14 A ASN 74 2HD2
14 A GLN 88 1HE2
14 A GLN 88 2HE2
15 A GLN 3 1HE2
15 A GLN 3 2HE2
15 A ASN 19 1HD2
15 A ASN 19 2HD2
15 A ASN 23 1HD2
15 A ASN 23 2HD2
15 A ASN 41 1HD2
15 A ASN 41 2HD2
15 A ASN 45 1HD2
15 A ASN 45 2HD2
15 A ASN 47 1HD2
15 A ASN 47 2HD2
15 A ASN 74 1HD2
15 A ASN 74 2HD2
15 A GLN 88 1HE2
15 A GLN 88 2HE2
16 A GLN 3 1HE2
16 A GLN 3 2HE2
16 A ASN 19 1HD2
16 A ASN 19 2HD2
16 A ASN 23 1HD2
16 A ASN 23 2HD2
16 A ASN 41 1HD2
16 A ASN 41 2HD2
16 A ASN 45 1HD2
16 A ASN 45 2HD2
16 A ASN 47 1HD2
16 A ASN 47 2HD2
16 A ASN 74 1HD2
16 A ASN 74 2HD2
16 A GLN 88 1HE2
16 A GLN 88 2HE2
17 A GLN 3 1HE2
17 A GLN 3 2HE2
17 A ASN 19 1HD2
17 A ASN 19 2HD2
17 A ASN 23 1HD2
17 A ASN 23 2HD2
17 A ASN 41 1HD2
17 A ASN 41 2HD2
17 A ASN 45 1HD2
17 A ASN 45 2HD2
17 A ASN 47 1HD2
17 A ASN 47 2HD2
17 A ASN 74 1HD2
17 A ASN 74 2HD2
17 A GLN 88 1HE2
17 A GLN 88 2HE2
18 A GLN 3 1HE2
18 A GLN 3 2HE2
18 A ASN 19 1HD2
18 A ASN 19 2HD2
18 A ASN 23 1HD2
18 A ASN 23 2HD2
18 A ASN 41 1HD2
18 A ASN 41 2HD2
18 A ASN 45 1HD2
18 A ASN 45 2HD2
18 A ASN 47 1HD2
18 A ASN 47 2HD2
18 A ASN 74 1HD2
18 A ASN 74 2HD2
18 A GLN 88 1HE2
18 A GLN 88 2HE2
19 A GLN 3 1HE2
19 A GLN 3 2HE2
19 A ASN 19 1HD2
19 A ASN 19 2HD2
19 A ASN 23 1HD2
19 A ASN 23 2HD2
19 A ASN 41 1HD2
19 A ASN 41 2HD2
19 A ASN 45 1HD2
19 A ASN 45 2HD2
19 A ASN 47 1HD2
19 A ASN 47 2HD2
19 A ASN 74 1HD2
19 A ASN 74 2HD2
19 A GLN 88 1HE2
19 A GLN 88 2HE2
20 A GLN 3 1HE2
20 A GLN 3 2HE2
20 A ASN 19 1HD2
20 A ASN 19 2HD2
20 A ASN 23 1HD2
20 A ASN 23 2HD2
20 A ASN 41 1HD2
20 A ASN 41 2HD2
20 A ASN 45 1HD2
20 A ASN 45 2HD2
20 A ASN 47 1HD2
20 A ASN 47 2HD2
20 A ASN 74 1HD2
20 A ASN 74 2HD2
20 A GLN 88 1HE2
20 A GLN 88 2HE2
OTHER IMPORTANT ISSUES
==> The following residues are missing:
(Note: The SEQ number starts from 1 for each chain according to SEQRES
sequence record.)
RES MOD#C SEQ
SER( 1 A -95 )
SER( 1 A -94 )
GLN( 1 A -93 )
THR( 1 A -92 )
LEU( 1 A -91 )
ASP( 1 A -90 )
ARG( 1 A -89 )
ASP( 1 A -88 )
PRO( 1 A -87 )
THR( 1 A -86 )
LEU( 1 A -85 )
THR( 1 A -84 )
LEU( 1 A -83 )
SER( 1 A -82 )
LEU( 1 A -81 )
ILE( 1 A -80 )
ALA( 1 A -79 )
LYS( 1 A -78 )
ASN( 1 A -77 )
THR( 1 A -76 )
PRO( 1 A -75 )
ALA( 1 A -74 )
ASN( 1 A -73 )
SER( 1 A -72 )
MET( 1 A -71 )
ILE( 1 A -70 )
MET( 1 A -69 )
THR( 1 A -68 )
LYS( 1 A -67 )
LEU( 1 A -66 )
PRO( 1 A -65 )
SER( 1 A -64 )
VAL( 1 A -63 )
ARG( 1 A -62 )
VAL( 1 A -61 )
LYS( 1 A -60 )
THR( 1 A -59 )
GLU( 1 A -58 )
GLY( 1 A -57 )
TYR( 1 A -56 )
ASN( 1 A -55 )
PRO( 1 A -54 )
SER( 1 A -53 )
ILE( 1 A -52 )
ASN( 1 A -51 )
VAL( 1 A -50 )
ASN( 1 A -49 )
GLU( 1 A -48 )
LEU( 1 A -47 )
PHE( 1 A -46 )
ALA( 1 A -45 )
TYR( 1 A -44 )
VAL( 1 A -43 )
ASP( 1 A -42 )
LEU( 1 A -41 )
SER( 1 A -40 )
GLY( 1 A -39 )
SER( 1 A -38 )
GLU( 1 A -37 )
PRO( 1 A -36 )
GLY( 1 A -35 )
GLU( 1 A -34 )
HIS( 1 A -33 )
ASP( 1 A -32 )
TYR( 1 A -31 )
GLU( 1 A -30 )
VAL( 1 A -29 )
LYS( 1 A -28 )
VAL( 1 A -27 )
GLU( 1 A -26 )
PRO( 1 A -25 )
ILE( 1 A -24 )
PRO( 1 A -23 )
ASN( 1 A -22 )
ILE( 1 A -21 )
LYS( 1 A -20 )
ILE( 1 A -19 )
VAL( 1 A -18 )
GLU( 1 A -17 )
ILE( 1 A -16 )
SER( 1 A -15 )
PRO( 1 A -14 )
ARG( 1 A -13 )
VAL( 1 A -12 )
VAL( 1 A -11 )
THR( 1 A -10 )
LEU( 1 A -9 )
GLN( 1 A -8 )
LEU( 1 A -7 )
GLU( 1 A -6 )
HIS( 1 A -5 )
HIS( 1 A -4 )
HIS( 1 A -3 )
HIS( 1 A -2 )
HIS( 1 A -1 )
HIS( 1 A 0 )
SER( 2 A -95 )
SER( 2 A -94 )
GLN( 2 A -93 )
THR( 2 A -92 )
LEU( 2 A -91 )
ASP( 2 A -90 )
ARG( 2 A -89 )
ASP( 2 A -88 )
PRO( 2 A -87 )
THR( 2 A -86 )
LEU( 2 A -85 )
THR( 2 A -84 )
LEU( 2 A -83 )
SER( 2 A -82 )
LEU( 2 A -81 )
ILE( 2 A -80 )
ALA( 2 A -79 )
LYS( 2 A -78 )
ASN( 2 A -77 )
THR( 2 A -76 )
PRO( 2 A -75 )
ALA( 2 A -74 )
ASN( 2 A -73 )
SER( 2 A -72 )
MET( 2 A -71 )
ILE( 2 A -70 )
MET( 2 A -69 )
THR( 2 A -68 )
LYS( 2 A -67 )
LEU( 2 A -66 )
PRO( 2 A -65 )
SER( 2 A -64 )
VAL( 2 A -63 )
ARG( 2 A -62 )
VAL( 2 A -61 )
LYS( 2 A -60 )
THR( 2 A -59 )
GLU( 2 A -58 )
GLY( 2 A -57 )
TYR( 2 A -56 )
ASN( 2 A -55 )
PRO( 2 A -54 )
SER( 2 A -53 )
ILE( 2 A -52 )
ASN( 2 A -51 )
VAL( 2 A -50 )
ASN( 2 A -49 )
GLU( 2 A -48 )
LEU( 2 A -47 )
PHE( 2 A -46 )
ALA( 2 A -45 )
TYR( 2 A -44 )
VAL( 2 A -43 )
ASP( 2 A -42 )
LEU( 2 A -41 )
SER( 2 A -40 )
GLY( 2 A -39 )
SER( 2 A -38 )
GLU( 2 A -37 )
PRO( 2 A -36 )
GLY( 2 A -35 )
GLU( 2 A -34 )
HIS( 2 A -33 )
ASP( 2 A -32 )
TYR( 2 A -31 )
GLU( 2 A -30 )
VAL( 2 A -29 )
LYS( 2 A -28 )
VAL( 2 A -27 )
GLU( 2 A -26 )
PRO( 2 A -25 )
ILE( 2 A -24 )
PRO( 2 A -23 )
ASN( 2 A -22 )
ILE( 2 A -21 )
LYS( 2 A -20 )
ILE( 2 A -19 )
VAL( 2 A -18 )
GLU( 2 A -17 )
ILE( 2 A -16 )
SER( 2 A -15 )
PRO( 2 A -14 )
ARG( 2 A -13 )
VAL( 2 A -12 )
VAL( 2 A -11 )
THR( 2 A -10 )
LEU( 2 A -9 )
GLN( 2 A -8 )
LEU( 2 A -7 )
GLU( 2 A -6 )
HIS( 2 A -5 )
HIS( 2 A -4 )
HIS( 2 A -3 )
HIS( 2 A -2 )
HIS( 2 A -1 )
HIS( 2 A 0 )
SER( 3 A -95 )
SER( 3 A -94 )
GLN( 3 A -93 )
THR( 3 A -92 )
LEU( 3 A -91 )
ASP( 3 A -90 )
ARG( 3 A -89 )
ASP( 3 A -88 )
PRO( 3 A -87 )
THR( 3 A -86 )
LEU( 3 A -85 )
THR( 3 A -84 )
LEU( 3 A -83 )
SER( 3 A -82 )
LEU( 3 A -81 )
ILE( 3 A -80 )
ALA( 3 A -79 )
LYS( 3 A -78 )
ASN( 3 A -77 )
THR( 3 A -76 )
PRO( 3 A -75 )
ALA( 3 A -74 )
ASN( 3 A -73 )
SER( 3 A -72 )
MET( 3 A -71 )
ILE( 3 A -70 )
MET( 3 A -69 )
THR( 3 A -68 )
LYS( 3 A -67 )
LEU( 3 A -66 )
PRO( 3 A -65 )
SER( 3 A -64 )
VAL( 3 A -63 )
ARG( 3 A -62 )
VAL( 3 A -61 )
LYS( 3 A -60 )
THR( 3 A -59 )
GLU( 3 A -58 )
GLY( 3 A -57 )
TYR( 3 A -56 )
ASN( 3 A -55 )
PRO( 3 A -54 )
SER( 3 A -53 )
ILE( 3 A -52 )
ASN( 3 A -51 )
VAL( 3 A -50 )
ASN( 3 A -49 )
GLU( 3 A -48 )
LEU( 3 A -47 )
PHE( 3 A -46 )
ALA( 3 A -45 )
TYR( 3 A -44 )
VAL( 3 A -43 )
ASP( 3 A -42 )
LEU( 3 A -41 )
SER( 3 A -40 )
GLY( 3 A -39 )
SER( 3 A -38 )
GLU( 3 A -37 )
PRO( 3 A -36 )
GLY( 3 A -35 )
GLU( 3 A -34 )
HIS( 3 A -33 )
ASP( 3 A -32 )
TYR( 3 A -31 )
GLU( 3 A -30 )
VAL( 3 A -29 )
LYS( 3 A -28 )
VAL( 3 A -27 )
GLU( 3 A -26 )
PRO( 3 A -25 )
ILE( 3 A -24 )
PRO( 3 A -23 )
ASN( 3 A -22 )
ILE( 3 A -21 )
LYS( 3 A -20 )
ILE( 3 A -19 )
VAL( 3 A -18 )
GLU( 3 A -17 )
ILE( 3 A -16 )
SER( 3 A -15 )
PRO( 3 A -14 )
ARG( 3 A -13 )
VAL( 3 A -12 )
VAL( 3 A -11 )
THR( 3 A -10 )
LEU( 3 A -9 )
GLN( 3 A -8 )
LEU( 3 A -7 )
GLU( 3 A -6 )
HIS( 3 A -5 )
HIS( 3 A -4 )
HIS( 3 A -3 )
HIS( 3 A -2 )
HIS( 3 A -1 )
HIS( 3 A 0 )
SER( 4 A -95 )
SER( 4 A -94 )
GLN( 4 A -93 )
THR( 4 A -92 )
LEU( 4 A -91 )
ASP( 4 A -90 )
ARG( 4 A -89 )
ASP( 4 A -88 )
PRO( 4 A -87 )
THR( 4 A -86 )
LEU( 4 A -85 )
THR( 4 A -84 )
LEU( 4 A -83 )
SER( 4 A -82 )
LEU( 4 A -81 )
ILE( 4 A -80 )
ALA( 4 A -79 )
LYS( 4 A -78 )
ASN( 4 A -77 )
THR( 4 A -76 )
PRO( 4 A -75 )
ALA( 4 A -74 )
ASN( 4 A -73 )
SER( 4 A -72 )
MET( 4 A -71 )
ILE( 4 A -70 )
MET( 4 A -69 )
THR( 4 A -68 )
LYS( 4 A -67 )
LEU( 4 A -66 )
PRO( 4 A -65 )
SER( 4 A -64 )
VAL( 4 A -63 )
ARG( 4 A -62 )
VAL( 4 A -61 )
LYS( 4 A -60 )
THR( 4 A -59 )
GLU( 4 A -58 )
GLY( 4 A -57 )
TYR( 4 A -56 )
ASN( 4 A -55 )
PRO( 4 A -54 )
SER( 4 A -53 )
ILE( 4 A -52 )
ASN( 4 A -51 )
VAL( 4 A -50 )
ASN( 4 A -49 )
GLU( 4 A -48 )
LEU( 4 A -47 )
PHE( 4 A -46 )
ALA( 4 A -45 )
TYR( 4 A -44 )
VAL( 4 A -43 )
ASP( 4 A -42 )
LEU( 4 A -41 )
SER( 4 A -40 )
GLY( 4 A -39 )
SER( 4 A -38 )
GLU( 4 A -37 )
PRO( 4 A -36 )
GLY( 4 A -35 )
GLU( 4 A -34 )
HIS( 4 A -33 )
ASP( 4 A -32 )
TYR( 4 A -31 )
GLU( 4 A -30 )
VAL( 4 A -29 )
LYS( 4 A -28 )
VAL( 4 A -27 )
GLU( 4 A -26 )
PRO( 4 A -25 )
ILE( 4 A -24 )
PRO( 4 A -23 )
ASN( 4 A -22 )
ILE( 4 A -21 )
LYS( 4 A -20 )
ILE( 4 A -19 )
VAL( 4 A -18 )
GLU( 4 A -17 )
ILE( 4 A -16 )
SER( 4 A -15 )
PRO( 4 A -14 )
ARG( 4 A -13 )
VAL( 4 A -12 )
VAL( 4 A -11 )
THR( 4 A -10 )
LEU( 4 A -9 )
GLN( 4 A -8 )
LEU( 4 A -7 )
GLU( 4 A -6 )
HIS( 4 A -5 )
HIS( 4 A -4 )
HIS( 4 A -3 )
HIS( 4 A -2 )
HIS( 4 A -1 )
HIS( 4 A 0 )
SER( 5 A -95 )
SER( 5 A -94 )
GLN( 5 A -93 )
THR( 5 A -92 )
LEU( 5 A -91 )
ASP( 5 A -90 )
ARG( 5 A -89 )
ASP( 5 A -88 )
PRO( 5 A -87 )
THR( 5 A -86 )
LEU( 5 A -85 )
THR( 5 A -84 )
LEU( 5 A -83 )
SER( 5 A -82 )
LEU( 5 A -81 )
ILE( 5 A -80 )
ALA( 5 A -79 )
LYS( 5 A -78 )
ASN( 5 A -77 )
THR( 5 A -76 )
PRO( 5 A -75 )
ALA( 5 A -74 )
ASN( 5 A -73 )
SER( 5 A -72 )
MET( 5 A -71 )
ILE( 5 A -70 )
MET( 5 A -69 )
THR( 5 A -68 )
LYS( 5 A -67 )
LEU( 5 A -66 )
PRO( 5 A -65 )
SER( 5 A -64 )
VAL( 5 A -63 )
ARG( 5 A -62 )
VAL( 5 A -61 )
LYS( 5 A -60 )
THR( 5 A -59 )
GLU( 5 A -58 )
GLY( 5 A -57 )
TYR( 5 A -56 )
ASN( 5 A -55 )
PRO( 5 A -54 )
SER( 5 A -53 )
ILE( 5 A -52 )
ASN( 5 A -51 )
VAL( 5 A -50 )
ASN( 5 A -49 )
GLU( 5 A -48 )
LEU( 5 A -47 )
PHE( 5 A -46 )
ALA( 5 A -45 )
TYR( 5 A -44 )
VAL( 5 A -43 )
ASP( 5 A -42 )
LEU( 5 A -41 )
SER( 5 A -40 )
GLY( 5 A -39 )
SER( 5 A -38 )
GLU( 5 A -37 )
PRO( 5 A -36 )
GLY( 5 A -35 )
GLU( 5 A -34 )
HIS( 5 A -33 )
ASP( 5 A -32 )
TYR( 5 A -31 )
GLU( 5 A -30 )
VAL( 5 A -29 )
LYS( 5 A -28 )
VAL( 5 A -27 )
GLU( 5 A -26 )
PRO( 5 A -25 )
ILE( 5 A -24 )
PRO( 5 A -23 )
ASN( 5 A -22 )
ILE( 5 A -21 )
LYS( 5 A -20 )
ILE( 5 A -19 )
VAL( 5 A -18 )
GLU( 5 A -17 )
ILE( 5 A -16 )
SER( 5 A -15 )
PRO( 5 A -14 )
ARG( 5 A -13 )
VAL( 5 A -12 )
VAL( 5 A -11 )
THR( 5 A -10 )
LEU( 5 A -9 )
GLN( 5 A -8 )
LEU( 5 A -7 )
GLU( 5 A -6 )
HIS( 5 A -5 )
HIS( 5 A -4 )
HIS( 5 A -3 )
HIS( 5 A -2 )
HIS( 5 A -1 )
HIS( 5 A 0 )
SER( 6 A -95 )
SER( 6 A -94 )
GLN( 6 A -93 )
THR( 6 A -92 )
LEU( 6 A -91 )
ASP( 6 A -90 )
ARG( 6 A -89 )
ASP( 6 A -88 )
PRO( 6 A -87 )
THR( 6 A -86 )
LEU( 6 A -85 )
THR( 6 A -84 )
LEU( 6 A -83 )
SER( 6 A -82 )
LEU( 6 A -81 )
ILE( 6 A -80 )
ALA( 6 A -79 )
LYS( 6 A -78 )
ASN( 6 A -77 )
THR( 6 A -76 )
PRO( 6 A -75 )
ALA( 6 A -74 )
ASN( 6 A -73 )
SER( 6 A -72 )
MET( 6 A -71 )
ILE( 6 A -70 )
MET( 6 A -69 )
THR( 6 A -68 )
LYS( 6 A -67 )
LEU( 6 A -66 )
PRO( 6 A -65 )
SER( 6 A -64 )
VAL( 6 A -63 )
ARG( 6 A -62 )
VAL( 6 A -61 )
LYS( 6 A -60 )
THR( 6 A -59 )
GLU( 6 A -58 )
GLY( 6 A -57 )
TYR( 6 A -56 )
ASN( 6 A -55 )
PRO( 6 A -54 )
SER( 6 A -53 )
ILE( 6 A -52 )
ASN( 6 A -51 )
VAL( 6 A -50 )
ASN( 6 A -49 )
GLU( 6 A -48 )
LEU( 6 A -47 )
PHE( 6 A -46 )
ALA( 6 A -45 )
TYR( 6 A -44 )
VAL( 6 A -43 )
ASP( 6 A -42 )
LEU( 6 A -41 )
SER( 6 A -40 )
GLY( 6 A -39 )
SER( 6 A -38 )
GLU( 6 A -37 )
PRO( 6 A -36 )
GLY( 6 A -35 )
GLU( 6 A -34 )
HIS( 6 A -33 )
ASP( 6 A -32 )
TYR( 6 A -31 )
GLU( 6 A -30 )
VAL( 6 A -29 )
LYS( 6 A -28 )
VAL( 6 A -27 )
GLU( 6 A -26 )
PRO( 6 A -25 )
ILE( 6 A -24 )
PRO( 6 A -23 )
ASN( 6 A -22 )
ILE( 6 A -21 )
LYS( 6 A -20 )
ILE( 6 A -19 )
VAL( 6 A -18 )
GLU( 6 A -17 )
ILE( 6 A -16 )
SER( 6 A -15 )
PRO( 6 A -14 )
ARG( 6 A -13 )
VAL( 6 A -12 )
VAL( 6 A -11 )
THR( 6 A -10 )
LEU( 6 A -9 )
GLN( 6 A -8 )
LEU( 6 A -7 )
GLU( 6 A -6 )
HIS( 6 A -5 )
HIS( 6 A -4 )
HIS( 6 A -3 )
HIS( 6 A -2 )
HIS( 6 A -1 )
HIS( 6 A 0 )
SER( 7 A -95 )
SER( 7 A -94 )
GLN( 7 A -93 )
THR( 7 A -92 )
LEU( 7 A -91 )
ASP( 7 A -90 )
ARG( 7 A -89 )
ASP( 7 A -88 )
PRO( 7 A -87 )
THR( 7 A -86 )
LEU( 7 A -85 )
THR( 7 A -84 )
LEU( 7 A -83 )
SER( 7 A -82 )
LEU( 7 A -81 )
ILE( 7 A -80 )
ALA( 7 A -79 )
LYS( 7 A -78 )
ASN( 7 A -77 )
THR( 7 A -76 )
PRO( 7 A -75 )
ALA( 7 A -74 )
ASN( 7 A -73 )
SER( 7 A -72 )
MET( 7 A -71 )
ILE( 7 A -70 )
MET( 7 A -69 )
THR( 7 A -68 )
LYS( 7 A -67 )
LEU( 7 A -66 )
PRO( 7 A -65 )
SER( 7 A -64 )
VAL( 7 A -63 )
ARG( 7 A -62 )
VAL( 7 A -61 )
LYS( 7 A -60 )
THR( 7 A -59 )
GLU( 7 A -58 )
GLY( 7 A -57 )
TYR( 7 A -56 )
ASN( 7 A -55 )
PRO( 7 A -54 )
SER( 7 A -53 )
ILE( 7 A -52 )
ASN( 7 A -51 )
VAL( 7 A -50 )
ASN( 7 A -49 )
GLU( 7 A -48 )
LEU( 7 A -47 )
PHE( 7 A -46 )
ALA( 7 A -45 )
TYR( 7 A -44 )
VAL( 7 A -43 )
ASP( 7 A -42 )
LEU( 7 A -41 )
SER( 7 A -40 )
GLY( 7 A -39 )
SER( 7 A -38 )
GLU( 7 A -37 )
PRO( 7 A -36 )
GLY( 7 A -35 )
GLU( 7 A -34 )
HIS( 7 A -33 )
ASP( 7 A -32 )
TYR( 7 A -31 )
GLU( 7 A -30 )
VAL( 7 A -29 )
LYS( 7 A -28 )
VAL( 7 A -27 )
GLU( 7 A -26 )
PRO( 7 A -25 )
ILE( 7 A -24 )
PRO( 7 A -23 )
ASN( 7 A -22 )
ILE( 7 A -21 )
LYS( 7 A -20 )
ILE( 7 A -19 )
VAL( 7 A -18 )
GLU( 7 A -17 )
ILE( 7 A -16 )
SER( 7 A -15 )
PRO( 7 A -14 )
ARG( 7 A -13 )
VAL( 7 A -12 )
VAL( 7 A -11 )
THR( 7 A -10 )
LEU( 7 A -9 )
GLN( 7 A -8 )
LEU( 7 A -7 )
GLU( 7 A -6 )
HIS( 7 A -5 )
HIS( 7 A -4 )
HIS( 7 A -3 )
HIS( 7 A -2 )
HIS( 7 A -1 )
HIS( 7 A 0 )
SER( 8 A -95 )
SER( 8 A -94 )
GLN( 8 A -93 )
THR( 8 A -92 )
LEU( 8 A -91 )
ASP( 8 A -90 )
ARG( 8 A -89 )
ASP( 8 A -88 )
PRO( 8 A -87 )
THR( 8 A -86 )
LEU( 8 A -85 )
THR( 8 A -84 )
LEU( 8 A -83 )
SER( 8 A -82 )
LEU( 8 A -81 )
ILE( 8 A -80 )
ALA( 8 A -79 )
LYS( 8 A -78 )
ASN( 8 A -77 )
THR( 8 A -76 )
PRO( 8 A -75 )
ALA( 8 A -74 )
ASN( 8 A -73 )
SER( 8 A -72 )
MET( 8 A -71 )
ILE( 8 A -70 )
MET( 8 A -69 )
THR( 8 A -68 )
LYS( 8 A -67 )
LEU( 8 A -66 )
PRO( 8 A -65 )
SER( 8 A -64 )
VAL( 8 A -63 )
ARG( 8 A -62 )
VAL( 8 A -61 )
LYS( 8 A -60 )
THR( 8 A -59 )
GLU( 8 A -58 )
GLY( 8 A -57 )
TYR( 8 A -56 )
ASN( 8 A -55 )
PRO( 8 A -54 )
SER( 8 A -53 )
ILE( 8 A -52 )
ASN( 8 A -51 )
VAL( 8 A -50 )
ASN( 8 A -49 )
GLU( 8 A -48 )
LEU( 8 A -47 )
PHE( 8 A -46 )
ALA( 8 A -45 )
TYR( 8 A -44 )
VAL( 8 A -43 )
ASP( 8 A -42 )
LEU( 8 A -41 )
SER( 8 A -40 )
GLY( 8 A -39 )
SER( 8 A -38 )
GLU( 8 A -37 )
PRO( 8 A -36 )
GLY( 8 A -35 )
GLU( 8 A -34 )
HIS( 8 A -33 )
ASP( 8 A -32 )
TYR( 8 A -31 )
GLU( 8 A -30 )
VAL( 8 A -29 )
LYS( 8 A -28 )
VAL( 8 A -27 )
GLU( 8 A -26 )
PRO( 8 A -25 )
ILE( 8 A -24 )
PRO( 8 A -23 )
ASN( 8 A -22 )
ILE( 8 A -21 )
LYS( 8 A -20 )
ILE( 8 A -19 )
VAL( 8 A -18 )
GLU( 8 A -17 )
ILE( 8 A -16 )
SER( 8 A -15 )
PRO( 8 A -14 )
ARG( 8 A -13 )
VAL( 8 A -12 )
VAL( 8 A -11 )
THR( 8 A -10 )
LEU( 8 A -9 )
GLN( 8 A -8 )
LEU( 8 A -7 )
GLU( 8 A -6 )
HIS( 8 A -5 )
HIS( 8 A -4 )
HIS( 8 A -3 )
HIS( 8 A -2 )
HIS( 8 A -1 )
HIS( 8 A 0 )
SER( 9 A -95 )
SER( 9 A -94 )
GLN( 9 A -93 )
THR( 9 A -92 )
LEU( 9 A -91 )
ASP( 9 A -90 )
ARG( 9 A -89 )
ASP( 9 A -88 )
PRO( 9 A -87 )
THR( 9 A -86 )
LEU( 9 A -85 )
THR( 9 A -84 )
LEU( 9 A -83 )
SER( 9 A -82 )
LEU( 9 A -81 )
ILE( 9 A -80 )
ALA( 9 A -79 )
LYS( 9 A -78 )
ASN( 9 A -77 )
THR( 9 A -76 )
PRO( 9 A -75 )
ALA( 9 A -74 )
ASN( 9 A -73 )
SER( 9 A -72 )
MET( 9 A -71 )
ILE( 9 A -70 )
MET( 9 A -69 )
THR( 9 A -68 )
LYS( 9 A -67 )
LEU( 9 A -66 )
PRO( 9 A -65 )
SER( 9 A -64 )
VAL( 9 A -63 )
ARG( 9 A -62 )
VAL( 9 A -61 )
LYS( 9 A -60 )
THR( 9 A -59 )
GLU( 9 A -58 )
GLY( 9 A -57 )
TYR( 9 A -56 )
ASN( 9 A -55 )
PRO( 9 A -54 )
SER( 9 A -53 )
ILE( 9 A -52 )
ASN( 9 A -51 )
VAL( 9 A -50 )
ASN( 9 A -49 )
GLU( 9 A -48 )
LEU( 9 A -47 )
PHE( 9 A -46 )
ALA( 9 A -45 )
TYR( 9 A -44 )
VAL( 9 A -43 )
ASP( 9 A -42 )
LEU( 9 A -41 )
SER( 9 A -40 )
GLY( 9 A -39 )
SER( 9 A -38 )
GLU( 9 A -37 )
PRO( 9 A -36 )
GLY( 9 A -35 )
GLU( 9 A -34 )
HIS( 9 A -33 )
ASP( 9 A -32 )
TYR( 9 A -31 )
GLU( 9 A -30 )
VAL( 9 A -29 )
LYS( 9 A -28 )
VAL( 9 A -27 )
GLU( 9 A -26 )
PRO( 9 A -25 )
ILE( 9 A -24 )
PRO( 9 A -23 )
ASN( 9 A -22 )
ILE( 9 A -21 )
LYS( 9 A -20 )
ILE( 9 A -19 )
VAL( 9 A -18 )
GLU( 9 A -17 )
ILE( 9 A -16 )
SER( 9 A -15 )
PRO( 9 A -14 )
ARG( 9 A -13 )
VAL( 9 A -12 )
VAL( 9 A -11 )
THR( 9 A -10 )
LEU( 9 A -9 )
GLN( 9 A -8 )
LEU( 9 A -7 )
GLU( 9 A -6 )
HIS( 9 A -5 )
HIS( 9 A -4 )
HIS( 9 A -3 )
HIS( 9 A -2 )
HIS( 9 A -1 )
HIS( 9 A 0 )
SER( 10 A -95 )
SER( 10 A -94 )
GLN( 10 A -93 )
THR( 10 A -92 )
LEU( 10 A -91 )
ASP( 10 A -90 )
ARG( 10 A -89 )
ASP( 10 A -88 )
PRO( 10 A -87 )
THR( 10 A -86 )
LEU( 10 A -85 )
THR( 10 A -84 )
LEU( 10 A -83 )
SER( 10 A -82 )
LEU( 10 A -81 )
ILE( 10 A -80 )
ALA( 10 A -79 )
LYS( 10 A -78 )
ASN( 10 A -77 )
THR( 10 A -76 )
PRO( 10 A -75 )
ALA( 10 A -74 )
ASN( 10 A -73 )
SER( 10 A -72 )
MET( 10 A -71 )
ILE( 10 A -70 )
MET( 10 A -69 )
THR( 10 A -68 )
LYS( 10 A -67 )
LEU( 10 A -66 )
PRO( 10 A -65 )
SER( 10 A -64 )
VAL( 10 A -63 )
ARG( 10 A -62 )
VAL( 10 A -61 )
LYS( 10 A -60 )
THR( 10 A -59 )
GLU( 10 A -58 )
GLY( 10 A -57 )
TYR( 10 A -56 )
ASN( 10 A -55 )
PRO( 10 A -54 )
SER( 10 A -53 )
ILE( 10 A -52 )
ASN( 10 A -51 )
VAL( 10 A -50 )
ASN( 10 A -49 )
GLU( 10 A -48 )
LEU( 10 A -47 )
PHE( 10 A -46 )
ALA( 10 A -45 )
TYR( 10 A -44 )
VAL( 10 A -43 )
ASP( 10 A -42 )
LEU( 10 A -41 )
SER( 10 A -40 )
GLY( 10 A -39 )
SER( 10 A -38 )
GLU( 10 A -37 )
PRO( 10 A -36 )
GLY( 10 A -35 )
GLU( 10 A -34 )
HIS( 10 A -33 )
ASP( 10 A -32 )
TYR( 10 A -31 )
GLU( 10 A -30 )
VAL( 10 A -29 )
LYS( 10 A -28 )
VAL( 10 A -27 )
GLU( 10 A -26 )
PRO( 10 A -25 )
ILE( 10 A -24 )
PRO( 10 A -23 )
ASN( 10 A -22 )
ILE( 10 A -21 )
LYS( 10 A -20 )
ILE( 10 A -19 )
VAL( 10 A -18 )
GLU( 10 A -17 )
ILE( 10 A -16 )
SER( 10 A -15 )
PRO( 10 A -14 )
ARG( 10 A -13 )
VAL( 10 A -12 )
VAL( 10 A -11 )
THR( 10 A -10 )
LEU( 10 A -9 )
GLN( 10 A -8 )
LEU( 10 A -7 )
GLU( 10 A -6 )
HIS( 10 A -5 )
HIS( 10 A -4 )
HIS( 10 A -3 )
HIS( 10 A -2 )
HIS( 10 A -1 )
HIS( 10 A 0 )
SER( 11 A -95 )
SER( 11 A -94 )
GLN( 11 A -93 )
THR( 11 A -92 )
LEU( 11 A -91 )
ASP( 11 A -90 )
ARG( 11 A -89 )
ASP( 11 A -88 )
PRO( 11 A -87 )
THR( 11 A -86 )
LEU( 11 A -85 )
THR( 11 A -84 )
LEU( 11 A -83 )
SER( 11 A -82 )
LEU( 11 A -81 )
ILE( 11 A -80 )
ALA( 11 A -79 )
LYS( 11 A -78 )
ASN( 11 A -77 )
THR( 11 A -76 )
PRO( 11 A -75 )
ALA( 11 A -74 )
ASN( 11 A -73 )
SER( 11 A -72 )
MET( 11 A -71 )
ILE( 11 A -70 )
MET( 11 A -69 )
THR( 11 A -68 )
LYS( 11 A -67 )
LEU( 11 A -66 )
PRO( 11 A -65 )
SER( 11 A -64 )
VAL( 11 A -63 )
ARG( 11 A -62 )
VAL( 11 A -61 )
LYS( 11 A -60 )
THR( 11 A -59 )
GLU( 11 A -58 )
GLY( 11 A -57 )
TYR( 11 A -56 )
ASN( 11 A -55 )
PRO( 11 A -54 )
SER( 11 A -53 )
ILE( 11 A -52 )
ASN( 11 A -51 )
VAL( 11 A -50 )
ASN( 11 A -49 )
GLU( 11 A -48 )
LEU( 11 A -47 )
PHE( 11 A -46 )
ALA( 11 A -45 )
TYR( 11 A -44 )
VAL( 11 A -43 )
ASP( 11 A -42 )
LEU( 11 A -41 )
SER( 11 A -40 )
GLY( 11 A -39 )
SER( 11 A -38 )
GLU( 11 A -37 )
PRO( 11 A -36 )
GLY( 11 A -35 )
GLU( 11 A -34 )
HIS( 11 A -33 )
ASP( 11 A -32 )
TYR( 11 A -31 )
GLU( 11 A -30 )
VAL( 11 A -29 )
LYS( 11 A -28 )
VAL( 11 A -27 )
GLU( 11 A -26 )
PRO( 11 A -25 )
ILE( 11 A -24 )
PRO( 11 A -23 )
ASN( 11 A -22 )
ILE( 11 A -21 )
LYS( 11 A -20 )
ILE( 11 A -19 )
VAL( 11 A -18 )
GLU( 11 A -17 )
ILE( 11 A -16 )
SER( 11 A -15 )
PRO( 11 A -14 )
ARG( 11 A -13 )
VAL( 11 A -12 )
VAL( 11 A -11 )
THR( 11 A -10 )
LEU( 11 A -9 )
GLN( 11 A -8 )
LEU( 11 A -7 )
GLU( 11 A -6 )
HIS( 11 A -5 )
HIS( 11 A -4 )
HIS( 11 A -3 )
HIS( 11 A -2 )
HIS( 11 A -1 )
HIS( 11 A 0 )
SER( 12 A -95 )
SER( 12 A -94 )
GLN( 12 A -93 )
THR( 12 A -92 )
LEU( 12 A -91 )
ASP( 12 A -90 )
ARG( 12 A -89 )
ASP( 12 A -88 )
PRO( 12 A -87 )
THR( 12 A -86 )
LEU( 12 A -85 )
THR( 12 A -84 )
LEU( 12 A -83 )
SER( 12 A -82 )
LEU( 12 A -81 )
ILE( 12 A -80 )
ALA( 12 A -79 )
LYS( 12 A -78 )
ASN( 12 A -77 )
THR( 12 A -76 )
PRO( 12 A -75 )
ALA( 12 A -74 )
ASN( 12 A -73 )
SER( 12 A -72 )
MET( 12 A -71 )
ILE( 12 A -70 )
MET( 12 A -69 )
THR( 12 A -68 )
LYS( 12 A -67 )
LEU( 12 A -66 )
PRO( 12 A -65 )
SER( 12 A -64 )
VAL( 12 A -63 )
ARG( 12 A -62 )
VAL( 12 A -61 )
LYS( 12 A -60 )
THR( 12 A -59 )
GLU( 12 A -58 )
GLY( 12 A -57 )
TYR( 12 A -56 )
ASN( 12 A -55 )
PRO( 12 A -54 )
SER( 12 A -53 )
ILE( 12 A -52 )
ASN( 12 A -51 )
VAL( 12 A -50 )
ASN( 12 A -49 )
GLU( 12 A -48 )
LEU( 12 A -47 )
PHE( 12 A -46 )
ALA( 12 A -45 )
TYR( 12 A -44 )
VAL( 12 A -43 )
ASP( 12 A -42 )
LEU( 12 A -41 )
SER( 12 A -40 )
GLY( 12 A -39 )
SER( 12 A -38 )
GLU( 12 A -37 )
PRO( 12 A -36 )
GLY( 12 A -35 )
GLU( 12 A -34 )
HIS( 12 A -33 )
ASP( 12 A -32 )
TYR( 12 A -31 )
GLU( 12 A -30 )
VAL( 12 A -29 )
LYS( 12 A -28 )
VAL( 12 A -27 )
GLU( 12 A -26 )
PRO( 12 A -25 )
ILE( 12 A -24 )
PRO( 12 A -23 )
ASN( 12 A -22 )
ILE( 12 A -21 )
LYS( 12 A -20 )
ILE( 12 A -19 )
VAL( 12 A -18 )
GLU( 12 A -17 )
ILE( 12 A -16 )
SER( 12 A -15 )
PRO( 12 A -14 )
ARG( 12 A -13 )
VAL( 12 A -12 )
VAL( 12 A -11 )
THR( 12 A -10 )
LEU( 12 A -9 )
GLN( 12 A -8 )
LEU( 12 A -7 )
GLU( 12 A -6 )
HIS( 12 A -5 )
HIS( 12 A -4 )
HIS( 12 A -3 )
HIS( 12 A -2 )
HIS( 12 A -1 )
HIS( 12 A 0 )
SER( 13 A -95 )
SER( 13 A -94 )
GLN( 13 A -93 )
THR( 13 A -92 )
LEU( 13 A -91 )
ASP( 13 A -90 )
ARG( 13 A -89 )
ASP( 13 A -88 )
PRO( 13 A -87 )
THR( 13 A -86 )
LEU( 13 A -85 )
THR( 13 A -84 )
LEU( 13 A -83 )
SER( 13 A -82 )
LEU( 13 A -81 )
ILE( 13 A -80 )
ALA( 13 A -79 )
LYS( 13 A -78 )
ASN( 13 A -77 )
THR( 13 A -76 )
PRO( 13 A -75 )
ALA( 13 A -74 )
ASN( 13 A -73 )
SER( 13 A -72 )
MET( 13 A -71 )
ILE( 13 A -70 )
MET( 13 A -69 )
THR( 13 A -68 )
LYS( 13 A -67 )
LEU( 13 A -66 )
PRO( 13 A -65 )
SER( 13 A -64 )
VAL( 13 A -63 )
ARG( 13 A -62 )
VAL( 13 A -61 )
LYS( 13 A -60 )
THR( 13 A -59 )
GLU( 13 A -58 )
GLY( 13 A -57 )
TYR( 13 A -56 )
ASN( 13 A -55 )
PRO( 13 A -54 )
SER( 13 A -53 )
ILE( 13 A -52 )
ASN( 13 A -51 )
VAL( 13 A -50 )
ASN( 13 A -49 )
GLU( 13 A -48 )
LEU( 13 A -47 )
PHE( 13 A -46 )
ALA( 13 A -45 )
TYR( 13 A -44 )
VAL( 13 A -43 )
ASP( 13 A -42 )
LEU( 13 A -41 )
SER( 13 A -40 )
GLY( 13 A -39 )
SER( 13 A -38 )
GLU( 13 A -37 )
PRO( 13 A -36 )
GLY( 13 A -35 )
GLU( 13 A -34 )
HIS( 13 A -33 )
ASP( 13 A -32 )
TYR( 13 A -31 )
GLU( 13 A -30 )
VAL( 13 A -29 )
LYS( 13 A -28 )
VAL( 13 A -27 )
GLU( 13 A -26 )
PRO( 13 A -25 )
ILE( 13 A -24 )
PRO( 13 A -23 )
ASN( 13 A -22 )
ILE( 13 A -21 )
LYS( 13 A -20 )
ILE( 13 A -19 )
VAL( 13 A -18 )
GLU( 13 A -17 )
ILE( 13 A -16 )
SER( 13 A -15 )
PRO( 13 A -14 )
ARG( 13 A -13 )
VAL( 13 A -12 )
VAL( 13 A -11 )
THR( 13 A -10 )
LEU( 13 A -9 )
GLN( 13 A -8 )
LEU( 13 A -7 )
GLU( 13 A -6 )
HIS( 13 A -5 )
HIS( 13 A -4 )
HIS( 13 A -3 )
HIS( 13 A -2 )
HIS( 13 A -1 )
HIS( 13 A 0 )
SER( 14 A -95 )
SER( 14 A -94 )
GLN( 14 A -93 )
THR( 14 A -92 )
LEU( 14 A -91 )
ASP( 14 A -90 )
ARG( 14 A -89 )
ASP( 14 A -88 )
PRO( 14 A -87 )
THR( 14 A -86 )
LEU( 14 A -85 )
THR( 14 A -84 )
LEU( 14 A -83 )
SER( 14 A -82 )
LEU( 14 A -81 )
ILE( 14 A -80 )
ALA( 14 A -79 )
LYS( 14 A -78 )
ASN( 14 A -77 )
THR( 14 A -76 )
PRO( 14 A -75 )
ALA( 14 A -74 )
ASN( 14 A -73 )
SER( 14 A -72 )
MET( 14 A -71 )
ILE( 14 A -70 )
MET( 14 A -69 )
THR( 14 A -68 )
LYS( 14 A -67 )
LEU( 14 A -66 )
PRO( 14 A -65 )
SER( 14 A -64 )
VAL( 14 A -63 )
ARG( 14 A -62 )
VAL( 14 A -61 )
LYS( 14 A -60 )
THR( 14 A -59 )
GLU( 14 A -58 )
GLY( 14 A -57 )
TYR( 14 A -56 )
ASN( 14 A -55 )
PRO( 14 A -54 )
SER( 14 A -53 )
ILE( 14 A -52 )
ASN( 14 A -51 )
VAL( 14 A -50 )
ASN( 14 A -49 )
GLU( 14 A -48 )
LEU( 14 A -47 )
PHE( 14 A -46 )
ALA( 14 A -45 )
TYR( 14 A -44 )
VAL( 14 A -43 )
ASP( 14 A -42 )
LEU( 14 A -41 )
SER( 14 A -40 )
GLY( 14 A -39 )
SER( 14 A -38 )
GLU( 14 A -37 )
PRO( 14 A -36 )
GLY( 14 A -35 )
GLU( 14 A -34 )
HIS( 14 A -33 )
ASP( 14 A -32 )
TYR( 14 A -31 )
GLU( 14 A -30 )
VAL( 14 A -29 )
LYS( 14 A -28 )
VAL( 14 A -27 )
GLU( 14 A -26 )
PRO( 14 A -25 )
ILE( 14 A -24 )
PRO( 14 A -23 )
ASN( 14 A -22 )
ILE( 14 A -21 )
LYS( 14 A -20 )
ILE( 14 A -19 )
VAL( 14 A -18 )
GLU( 14 A -17 )
ILE( 14 A -16 )
SER( 14 A -15 )
PRO( 14 A -14 )
ARG( 14 A -13 )
VAL( 14 A -12 )
VAL( 14 A -11 )
THR( 14 A -10 )
LEU( 14 A -9 )
GLN( 14 A -8 )
LEU( 14 A -7 )
GLU( 14 A -6 )
HIS( 14 A -5 )
HIS( 14 A -4 )
HIS( 14 A -3 )
HIS( 14 A -2 )
HIS( 14 A -1 )
HIS( 14 A 0 )
SER( 15 A -95 )
SER( 15 A -94 )
GLN( 15 A -93 )
THR( 15 A -92 )
LEU( 15 A -91 )
ASP( 15 A -90 )
ARG( 15 A -89 )
ASP( 15 A -88 )
PRO( 15 A -87 )
THR( 15 A -86 )
LEU( 15 A -85 )
THR( 15 A -84 )
LEU( 15 A -83 )
SER( 15 A -82 )
LEU( 15 A -81 )
ILE( 15 A -80 )
ALA( 15 A -79 )
LYS( 15 A -78 )
ASN( 15 A -77 )
THR( 15 A -76 )
PRO( 15 A -75 )
ALA( 15 A -74 )
ASN( 15 A -73 )
SER( 15 A -72 )
MET( 15 A -71 )
ILE( 15 A -70 )
MET( 15 A -69 )
THR( 15 A -68 )
LYS( 15 A -67 )
LEU( 15 A -66 )
PRO( 15 A -65 )
SER( 15 A -64 )
VAL( 15 A -63 )
ARG( 15 A -62 )
VAL( 15 A -61 )
LYS( 15 A -60 )
THR( 15 A -59 )
GLU( 15 A -58 )
GLY( 15 A -57 )
TYR( 15 A -56 )
ASN( 15 A -55 )
PRO( 15 A -54 )
SER( 15 A -53 )
ILE( 15 A -52 )
ASN( 15 A -51 )
VAL( 15 A -50 )
ASN( 15 A -49 )
GLU( 15 A -48 )
LEU( 15 A -47 )
PHE( 15 A -46 )
ALA( 15 A -45 )
TYR( 15 A -44 )
VAL( 15 A -43 )
ASP( 15 A -42 )
LEU( 15 A -41 )
SER( 15 A -40 )
GLY( 15 A -39 )
SER( 15 A -38 )
GLU( 15 A -37 )
PRO( 15 A -36 )
GLY( 15 A -35 )
GLU( 15 A -34 )
HIS( 15 A -33 )
ASP( 15 A -32 )
TYR( 15 A -31 )
GLU( 15 A -30 )
VAL( 15 A -29 )
LYS( 15 A -28 )
VAL( 15 A -27 )
GLU( 15 A -26 )
PRO( 15 A -25 )
ILE( 15 A -24 )
PRO( 15 A -23 )
ASN( 15 A -22 )
ILE( 15 A -21 )
LYS( 15 A -20 )
ILE( 15 A -19 )
VAL( 15 A -18 )
GLU( 15 A -17 )
ILE( 15 A -16 )
SER( 15 A -15 )
PRO( 15 A -14 )
ARG( 15 A -13 )
VAL( 15 A -12 )
VAL( 15 A -11 )
THR( 15 A -10 )
LEU( 15 A -9 )
GLN( 15 A -8 )
LEU( 15 A -7 )
GLU( 15 A -6 )
HIS( 15 A -5 )
HIS( 15 A -4 )
HIS( 15 A -3 )
HIS( 15 A -2 )
HIS( 15 A -1 )
HIS( 15 A 0 )
SER( 16 A -95 )
SER( 16 A -94 )
GLN( 16 A -93 )
THR( 16 A -92 )
LEU( 16 A -91 )
ASP( 16 A -90 )
ARG( 16 A -89 )
ASP( 16 A -88 )
PRO( 16 A -87 )
THR( 16 A -86 )
LEU( 16 A -85 )
THR( 16 A -84 )
LEU( 16 A -83 )
SER( 16 A -82 )
LEU( 16 A -81 )
ILE( 16 A -80 )
ALA( 16 A -79 )
LYS( 16 A -78 )
ASN( 16 A -77 )
THR( 16 A -76 )
PRO( 16 A -75 )
ALA( 16 A -74 )
ASN( 16 A -73 )
SER( 16 A -72 )
MET( 16 A -71 )
ILE( 16 A -70 )
MET( 16 A -69 )
THR( 16 A -68 )
LYS( 16 A -67 )
LEU( 16 A -66 )
PRO( 16 A -65 )
SER( 16 A -64 )
VAL( 16 A -63 )
ARG( 16 A -62 )
VAL( 16 A -61 )
LYS( 16 A -60 )
THR( 16 A -59 )
GLU( 16 A -58 )
GLY( 16 A -57 )
TYR( 16 A -56 )
ASN( 16 A -55 )
PRO( 16 A -54 )
SER( 16 A -53 )
ILE( 16 A -52 )
ASN( 16 A -51 )
VAL( 16 A -50 )
ASN( 16 A -49 )
GLU( 16 A -48 )
LEU( 16 A -47 )
PHE( 16 A -46 )
ALA( 16 A -45 )
TYR( 16 A -44 )
VAL( 16 A -43 )
ASP( 16 A -42 )
LEU( 16 A -41 )
SER( 16 A -40 )
GLY( 16 A -39 )
SER( 16 A -38 )
GLU( 16 A -37 )
PRO( 16 A -36 )
GLY( 16 A -35 )
GLU( 16 A -34 )
HIS( 16 A -33 )
ASP( 16 A -32 )
TYR( 16 A -31 )
GLU( 16 A -30 )
VAL( 16 A -29 )
LYS( 16 A -28 )
VAL( 16 A -27 )
GLU( 16 A -26 )
PRO( 16 A -25 )
ILE( 16 A -24 )
PRO( 16 A -23 )
ASN( 16 A -22 )
ILE( 16 A -21 )
LYS( 16 A -20 )
ILE( 16 A -19 )
VAL( 16 A -18 )
GLU( 16 A -17 )
ILE( 16 A -16 )
SER( 16 A -15 )
PRO( 16 A -14 )
ARG( 16 A -13 )
VAL( 16 A -12 )
VAL( 16 A -11 )
THR( 16 A -10 )
LEU( 16 A -9 )
GLN( 16 A -8 )
LEU( 16 A -7 )
GLU( 16 A -6 )
HIS( 16 A -5 )
HIS( 16 A -4 )
HIS( 16 A -3 )
HIS( 16 A -2 )
HIS( 16 A -1 )
HIS( 16 A 0 )
SER( 17 A -95 )
SER( 17 A -94 )
GLN( 17 A -93 )
THR( 17 A -92 )
LEU( 17 A -91 )
ASP( 17 A -90 )
ARG( 17 A -89 )
ASP( 17 A -88 )
PRO( 17 A -87 )
THR( 17 A -86 )
LEU( 17 A -85 )
THR( 17 A -84 )
LEU( 17 A -83 )
SER( 17 A -82 )
LEU( 17 A -81 )
ILE( 17 A -80 )
ALA( 17 A -79 )
LYS( 17 A -78 )
ASN( 17 A -77 )
THR( 17 A -76 )
PRO( 17 A -75 )
ALA( 17 A -74 )
ASN( 17 A -73 )
SER( 17 A -72 )
MET( 17 A -71 )
ILE( 17 A -70 )
MET( 17 A -69 )
THR( 17 A -68 )
LYS( 17 A -67 )
LEU( 17 A -66 )
PRO( 17 A -65 )
SER( 17 A -64 )
VAL( 17 A -63 )
ARG( 17 A -62 )
VAL( 17 A -61 )
LYS( 17 A -60 )
THR( 17 A -59 )
GLU( 17 A -58 )
GLY( 17 A -57 )
TYR( 17 A -56 )
ASN( 17 A -55 )
PRO( 17 A -54 )
SER( 17 A -53 )
ILE( 17 A -52 )
ASN( 17 A -51 )
VAL( 17 A -50 )
ASN( 17 A -49 )
GLU( 17 A -48 )
LEU( 17 A -47 )
PHE( 17 A -46 )
ALA( 17 A -45 )
TYR( 17 A -44 )
VAL( 17 A -43 )
ASP( 17 A -42 )
LEU( 17 A -41 )
SER( 17 A -40 )
GLY( 17 A -39 )
SER( 17 A -38 )
GLU( 17 A -37 )
PRO( 17 A -36 )
GLY( 17 A -35 )
GLU( 17 A -34 )
HIS( 17 A -33 )
ASP( 17 A -32 )
TYR( 17 A -31 )
GLU( 17 A -30 )
VAL( 17 A -29 )
LYS( 17 A -28 )
VAL( 17 A -27 )
GLU( 17 A -26 )
PRO( 17 A -25 )
ILE( 17 A -24 )
PRO( 17 A -23 )
ASN( 17 A -22 )
ILE( 17 A -21 )
LYS( 17 A -20 )
ILE( 17 A -19 )
VAL( 17 A -18 )
GLU( 17 A -17 )
ILE( 17 A -16 )
SER( 17 A -15 )
PRO( 17 A -14 )
ARG( 17 A -13 )
VAL( 17 A -12 )
VAL( 17 A -11 )
THR( 17 A -10 )
LEU( 17 A -9 )
GLN( 17 A -8 )
LEU( 17 A -7 )
GLU( 17 A -6 )
HIS( 17 A -5 )
HIS( 17 A -4 )
HIS( 17 A -3 )
HIS( 17 A -2 )
HIS( 17 A -1 )
HIS( 17 A 0 )
SER( 18 A -95 )
SER( 18 A -94 )
GLN( 18 A -93 )
THR( 18 A -92 )
LEU( 18 A -91 )
ASP( 18 A -90 )
ARG( 18 A -89 )
ASP( 18 A -88 )
PRO( 18 A -87 )
THR( 18 A -86 )
LEU( 18 A -85 )
THR( 18 A -84 )
LEU( 18 A -83 )
SER( 18 A -82 )
LEU( 18 A -81 )
ILE( 18 A -80 )
ALA( 18 A -79 )
LYS( 18 A -78 )
ASN( 18 A -77 )
THR( 18 A -76 )
PRO( 18 A -75 )
ALA( 18 A -74 )
ASN( 18 A -73 )
SER( 18 A -72 )
MET( 18 A -71 )
ILE( 18 A -70 )
MET( 18 A -69 )
THR( 18 A -68 )
LYS( 18 A -67 )
LEU( 18 A -66 )
PRO( 18 A -65 )
SER( 18 A -64 )
VAL( 18 A -63 )
ARG( 18 A -62 )
VAL( 18 A -61 )
LYS( 18 A -60 )
THR( 18 A -59 )
GLU( 18 A -58 )
GLY( 18 A -57 )
TYR( 18 A -56 )
ASN( 18 A -55 )
PRO( 18 A -54 )
SER( 18 A -53 )
ILE( 18 A -52 )
ASN( 18 A -51 )
VAL( 18 A -50 )
ASN( 18 A -49 )
GLU( 18 A -48 )
LEU( 18 A -47 )
PHE( 18 A -46 )
ALA( 18 A -45 )
TYR( 18 A -44 )
VAL( 18 A -43 )
ASP( 18 A -42 )
LEU( 18 A -41 )
SER( 18 A -40 )
GLY( 18 A -39 )
SER( 18 A -38 )
GLU( 18 A -37 )
PRO( 18 A -36 )
GLY( 18 A -35 )
GLU( 18 A -34 )
HIS( 18 A -33 )
ASP( 18 A -32 )
TYR( 18 A -31 )
GLU( 18 A -30 )
VAL( 18 A -29 )
LYS( 18 A -28 )
VAL( 18 A -27 )
GLU( 18 A -26 )
PRO( 18 A -25 )
ILE( 18 A -24 )
PRO( 18 A -23 )
ASN( 18 A -22 )
ILE( 18 A -21 )
LYS( 18 A -20 )
ILE( 18 A -19 )
VAL( 18 A -18 )
GLU( 18 A -17 )
ILE( 18 A -16 )
SER( 18 A -15 )
PRO( 18 A -14 )
ARG( 18 A -13 )
VAL( 18 A -12 )
VAL( 18 A -11 )
THR( 18 A -10 )
LEU( 18 A -9 )
GLN( 18 A -8 )
LEU( 18 A -7 )
GLU( 18 A -6 )
HIS( 18 A -5 )
HIS( 18 A -4 )
HIS( 18 A -3 )
HIS( 18 A -2 )
HIS( 18 A -1 )
HIS( 18 A 0 )
SER( 19 A -95 )
SER( 19 A -94 )
GLN( 19 A -93 )
THR( 19 A -92 )
LEU( 19 A -91 )
ASP( 19 A -90 )
ARG( 19 A -89 )
ASP( 19 A -88 )
PRO( 19 A -87 )
THR( 19 A -86 )
LEU( 19 A -85 )
THR( 19 A -84 )
LEU( 19 A -83 )
SER( 19 A -82 )
LEU( 19 A -81 )
ILE( 19 A -80 )
ALA( 19 A -79 )
LYS( 19 A -78 )
ASN( 19 A -77 )
THR( 19 A -76 )
PRO( 19 A -75 )
ALA( 19 A -74 )
ASN( 19 A -73 )
SER( 19 A -72 )
MET( 19 A -71 )
ILE( 19 A -70 )
MET( 19 A -69 )
THR( 19 A -68 )
LYS( 19 A -67 )
LEU( 19 A -66 )
PRO( 19 A -65 )
SER( 19 A -64 )
VAL( 19 A -63 )
ARG( 19 A -62 )
VAL( 19 A -61 )
LYS( 19 A -60 )
THR( 19 A -59 )
GLU( 19 A -58 )
GLY( 19 A -57 )
TYR( 19 A -56 )
ASN( 19 A -55 )
PRO( 19 A -54 )
SER( 19 A -53 )
ILE( 19 A -52 )
ASN( 19 A -51 )
VAL( 19 A -50 )
ASN( 19 A -49 )
GLU( 19 A -48 )
LEU( 19 A -47 )
PHE( 19 A -46 )
ALA( 19 A -45 )
TYR( 19 A -44 )
VAL( 19 A -43 )
ASP( 19 A -42 )
LEU( 19 A -41 )
SER( 19 A -40 )
GLY( 19 A -39 )
SER( 19 A -38 )
GLU( 19 A -37 )
PRO( 19 A -36 )
GLY( 19 A -35 )
GLU( 19 A -34 )
HIS( 19 A -33 )
ASP( 19 A -32 )
TYR( 19 A -31 )
GLU( 19 A -30 )
VAL( 19 A -29 )
LYS( 19 A -28 )
VAL( 19 A -27 )
GLU( 19 A -26 )
PRO( 19 A -25 )
ILE( 19 A -24 )
PRO( 19 A -23 )
ASN( 19 A -22 )
ILE( 19 A -21 )
LYS( 19 A -20 )
ILE( 19 A -19 )
VAL( 19 A -18 )
GLU( 19 A -17 )
ILE( 19 A -16 )
SER( 19 A -15 )
PRO( 19 A -14 )
ARG( 19 A -13 )
VAL( 19 A -12 )
VAL( 19 A -11 )
THR( 19 A -10 )
LEU( 19 A -9 )
GLN( 19 A -8 )
LEU( 19 A -7 )
GLU( 19 A -6 )
HIS( 19 A -5 )
HIS( 19 A -4 )
HIS( 19 A -3 )
HIS( 19 A -2 )
HIS( 19 A -1 )
HIS( 19 A 0 )
SER( 20 A -95 )
SER( 20 A -94 )
GLN( 20 A -93 )
THR( 20 A -92 )
LEU( 20 A -91 )
ASP( 20 A -90 )
ARG( 20 A -89 )
ASP( 20 A -88 )
PRO( 20 A -87 )
THR( 20 A -86 )
LEU( 20 A -85 )
THR( 20 A -84 )
LEU( 20 A -83 )
SER( 20 A -82 )
LEU( 20 A -81 )
ILE( 20 A -80 )
ALA( 20 A -79 )
LYS( 20 A -78 )
ASN( 20 A -77 )
THR( 20 A -76 )
PRO( 20 A -75 )
ALA( 20 A -74 )
ASN( 20 A -73 )
SER( 20 A -72 )
MET( 20 A -71 )
ILE( 20 A -70 )
MET( 20 A -69 )
THR( 20 A -68 )
LYS( 20 A -67 )
LEU( 20 A -66 )
PRO( 20 A -65 )
SER( 20 A -64 )
VAL( 20 A -63 )
ARG( 20 A -62 )
VAL( 20 A -61 )
LYS( 20 A -60 )
THR( 20 A -59 )
GLU( 20 A -58 )
GLY( 20 A -57 )
TYR( 20 A -56 )
ASN( 20 A -55 )
PRO( 20 A -54 )
SER( 20 A -53 )
ILE( 20 A -52 )
ASN( 20 A -51 )
VAL( 20 A -50 )
ASN( 20 A -49 )
GLU( 20 A -48 )
LEU( 20 A -47 )
PHE( 20 A -46 )
ALA( 20 A -45 )
TYR( 20 A -44 )
VAL( 20 A -43 )
ASP( 20 A -42 )
LEU( 20 A -41 )
SER( 20 A -40 )
GLY( 20 A -39 )
SER( 20 A -38 )
GLU( 20 A -37 )
PRO( 20 A -36 )
GLY( 20 A -35 )
GLU( 20 A -34 )
HIS( 20 A -33 )
ASP( 20 A -32 )
TYR( 20 A -31 )
GLU( 20 A -30 )
VAL( 20 A -29 )
LYS( 20 A -28 )
VAL( 20 A -27 )
GLU( 20 A -26 )
PRO( 20 A -25 )
ILE( 20 A -24 )
PRO( 20 A -23 )
ASN( 20 A -22 )
ILE( 20 A -21 )
LYS( 20 A -20 )
ILE( 20 A -19 )
VAL( 20 A -18 )
GLU( 20 A -17 )
ILE( 20 A -16 )
SER( 20 A -15 )
PRO( 20 A -14 )
ARG( 20 A -13 )
VAL( 20 A -12 )
VAL( 20 A -11 )
THR( 20 A -10 )
LEU( 20 A -9 )
GLN( 20 A -8 )
LEU( 20 A -7 )
GLU( 20 A -6 )
HIS( 20 A -5 )
HIS( 20 A -4 )
HIS( 20 A -3 )
HIS( 20 A -2 )
HIS( 20 A -1 )
HIS( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: SER SER GLN THR LEU ASP ARG ASP PRO THR LEU THR LEU SER LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: ILE ALA LYS ASN THR PRO ALA ASN SER MET ILE MET THR LYS LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: PRO SER VAL ARG VAL LYS THR GLU GLY TYR ASN PRO SER ILE ASN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: VAL ASN GLU LEU PHE ALA TYR VAL ASP LEU SER GLY SER GLU PRO
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: GLY GLU HIS ASP TYR GLU VAL LYS VAL GLU PRO ILE PRO ASN ILE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: LYS ILE VAL GLU ILE SER PRO ARG VAL VAL THR LEU GLN LEU GLU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: HIS HIS HIS HIS HIS HIS SER SER GLN THR LEU ASP ARG ASP PRO
COORDS: ... ... ... ... ... ... SER SER GLN THR LEU ASP ARG ASP PRO
1 9
106 120
SEQRES: THR LEU THR LEU SER LEU ILE ALA LYS ASN THR PRO ALA ASN SER
COORDS: THR LEU THR LEU SER LEU ILE ALA LYS ASN THR PRO ALA ASN SER
10 24
121 135
SEQRES: MET ILE MET THR LYS LEU PRO SER VAL ARG VAL LYS THR GLU GLY
COORDS: MET ILE MET THR LYS LEU PRO SER VAL ARG VAL LYS THR GLU GLY
25 39
136 150
SEQRES: TYR ASN PRO SER ILE ASN VAL ASN GLU LEU PHE ALA TYR VAL ASP
COORDS: TYR ASN PRO SER ILE ASN VAL ASN GLU LEU PHE ALA TYR VAL ASP
40 54
151 165
SEQRES: LEU SER GLY SER GLU PRO GLY GLU HIS ASP TYR GLU VAL LYS VAL
COORDS: LEU SER GLY SER GLU PRO GLY GLU HIS ASP TYR GLU VAL LYS VAL
55 69
166 180
SEQRES: GLU PRO ILE PRO ASN ILE LYS ILE VAL GLU ILE SER PRO ARG VAL
COORDS: GLU PRO ILE PRO ASN ILE LYS ILE VAL GLU ILE SER PRO ARG VAL
70 84
181 192
SEQRES: VAL THR LEU GLN LEU GLU HIS HIS HIS HIS HIS HIS
COORDS: VAL THR LEU GLN LEU GLU HIS HIS HIS HIS HIS HIS
85 96
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 6) HD2
ASP( 1 A 8) HD2
GLU( 1 A 38) HE2
GLU( 1 A 48) HE2
ASP( 1 A 54) HD2
GLU( 1 A 59) HE2
GLU( 1 A 62) HE2
ASP( 1 A 64) HD2
GLU( 1 A 66) HE2
GLU( 1 A 70) HE2
GLU( 1 A 79) HE2
GLU( 1 A 90) HE2
ASP( 2 A 6) HD2
ASP( 2 A 8) HD2
GLU( 2 A 38) HE2
GLU( 2 A 48) HE2
ASP( 2 A 54) HD2
GLU( 2 A 59) HE2
GLU( 2 A 62) HE2
ASP( 2 A 64) HD2
GLU( 2 A 66) HE2
GLU( 2 A 70) HE2
GLU( 2 A 79) HE2
GLU( 2 A 90) HE2
ASP( 3 A 6) HD2
ASP( 3 A 8) HD2
GLU( 3 A 38) HE2
GLU( 3 A 48) HE2
ASP( 3 A 54) HD2
GLU( 3 A 59) HE2
GLU( 3 A 62) HE2
ASP( 3 A 64) HD2
GLU( 3 A 66) HE2
GLU( 3 A 70) HE2
GLU( 3 A 79) HE2
GLU( 3 A 90) HE2
ASP( 4 A 6) HD2
ASP( 4 A 8) HD2
GLU( 4 A 38) HE2
GLU( 4 A 48) HE2
ASP( 4 A 54) HD2
GLU( 4 A 59) HE2
GLU( 4 A 62) HE2
ASP( 4 A 64) HD2
GLU( 4 A 66) HE2
GLU( 4 A 70) HE2
GLU( 4 A 79) HE2
GLU( 4 A 90) HE2
ASP( 5 A 6) HD2
ASP( 5 A 8) HD2
GLU( 5 A 38) HE2
GLU( 5 A 48) HE2
ASP( 5 A 54) HD2
GLU( 5 A 59) HE2
GLU( 5 A 62) HE2
ASP( 5 A 64) HD2
GLU( 5 A 66) HE2
GLU( 5 A 70) HE2
GLU( 5 A 79) HE2
GLU( 5 A 90) HE2
ASP( 6 A 6) HD2
ASP( 6 A 8) HD2
GLU( 6 A 38) HE2
GLU( 6 A 48) HE2
ASP( 6 A 54) HD2
GLU( 6 A 59) HE2
GLU( 6 A 62) HE2
ASP( 6 A 64) HD2
GLU( 6 A 66) HE2
GLU( 6 A 70) HE2
GLU( 6 A 79) HE2
GLU( 6 A 90) HE2
ASP( 7 A 6) HD2
ASP( 7 A 8) HD2
GLU( 7 A 38) HE2
GLU( 7 A 48) HE2
ASP( 7 A 54) HD2
GLU( 7 A 59) HE2
GLU( 7 A 62) HE2
ASP( 7 A 64) HD2
GLU( 7 A 66) HE2
GLU( 7 A 70) HE2
GLU( 7 A 79) HE2
GLU( 7 A 90) HE2
ASP( 8 A 6) HD2
ASP( 8 A 8) HD2
GLU( 8 A 38) HE2
GLU( 8 A 48) HE2
ASP( 8 A 54) HD2
GLU( 8 A 59) HE2
GLU( 8 A 62) HE2
ASP( 8 A 64) HD2
GLU( 8 A 66) HE2
GLU( 8 A 70) HE2
GLU( 8 A 79) HE2
GLU( 8 A 90) HE2
ASP( 9 A 6) HD2
ASP( 9 A 8) HD2
GLU( 9 A 38) HE2
GLU( 9 A 48) HE2
ASP( 9 A 54) HD2
GLU( 9 A 59) HE2
GLU( 9 A 62) HE2
ASP( 9 A 64) HD2
GLU( 9 A 66) HE2
GLU( 9 A 70) HE2
GLU( 9 A 79) HE2
GLU( 9 A 90) HE2
ASP( 10 A 6) HD2
ASP( 10 A 8) HD2
GLU( 10 A 38) HE2
GLU( 10 A 48) HE2
ASP( 10 A 54) HD2
GLU( 10 A 59) HE2
GLU( 10 A 62) HE2
ASP( 10 A 64) HD2
GLU( 10 A 66) HE2
GLU( 10 A 70) HE2
GLU( 10 A 79) HE2
GLU( 10 A 90) HE2
ASP( 11 A 6) HD2
ASP( 11 A 8) HD2
GLU( 11 A 38) HE2
GLU( 11 A 48) HE2
ASP( 11 A 54) HD2
GLU( 11 A 59) HE2
GLU( 11 A 62) HE2
ASP( 11 A 64) HD2
GLU( 11 A 66) HE2
GLU( 11 A 70) HE2
GLU( 11 A 79) HE2
GLU( 11 A 90) HE2
ASP( 12 A 6) HD2
ASP( 12 A 8) HD2
GLU( 12 A 38) HE2
GLU( 12 A 48) HE2
ASP( 12 A 54) HD2
GLU( 12 A 59) HE2
GLU( 12 A 62) HE2
ASP( 12 A 64) HD2
GLU( 12 A 66) HE2
GLU( 12 A 70) HE2
GLU( 12 A 79) HE2
GLU( 12 A 90) HE2
ASP( 13 A 6) HD2
ASP( 13 A 8) HD2
GLU( 13 A 38) HE2
GLU( 13 A 48) HE2
ASP( 13 A 54) HD2
GLU( 13 A 59) HE2
GLU( 13 A 62) HE2
ASP( 13 A 64) HD2
GLU( 13 A 66) HE2
GLU( 13 A 70) HE2
GLU( 13 A 79) HE2
GLU( 13 A 90) HE2
ASP( 14 A 6) HD2
ASP( 14 A 8) HD2
GLU( 14 A 38) HE2
GLU( 14 A 48) HE2
ASP( 14 A 54) HD2
GLU( 14 A 59) HE2
GLU( 14 A 62) HE2
ASP( 14 A 64) HD2
GLU( 14 A 66) HE2
GLU( 14 A 70) HE2
GLU( 14 A 79) HE2
GLU( 14 A 90) HE2
ASP( 15 A 6) HD2
ASP( 15 A 8) HD2
GLU( 15 A 38) HE2
GLU( 15 A 48) HE2
ASP( 15 A 54) HD2
GLU( 15 A 59) HE2
GLU( 15 A 62) HE2
ASP( 15 A 64) HD2
GLU( 15 A 66) HE2
GLU( 15 A 70) HE2
GLU( 15 A 79) HE2
GLU( 15 A 90) HE2
ASP( 16 A 6) HD2
ASP( 16 A 8) HD2
GLU( 16 A 38) HE2
GLU( 16 A 48) HE2
ASP( 16 A 54) HD2
GLU( 16 A 59) HE2
GLU( 16 A 62) HE2
ASP( 16 A 64) HD2
GLU( 16 A 66) HE2
GLU( 16 A 70) HE2
GLU( 16 A 79) HE2
GLU( 16 A 90) HE2
ASP( 17 A 6) HD2
ASP( 17 A 8) HD2
GLU( 17 A 38) HE2
GLU( 17 A 48) HE2
ASP( 17 A 54) HD2
GLU( 17 A 59) HE2
GLU( 17 A 62) HE2
ASP( 17 A 64) HD2
GLU( 17 A 66) HE2
GLU( 17 A 70) HE2
GLU( 17 A 79) HE2
GLU( 17 A 90) HE2
ASP( 18 A 6) HD2
ASP( 18 A 8) HD2
GLU( 18 A 38) HE2
GLU( 18 A 48) HE2
ASP( 18 A 54) HD2
GLU( 18 A 59) HE2
GLU( 18 A 62) HE2
ASP( 18 A 64) HD2
GLU( 18 A 66) HE2
GLU( 18 A 70) HE2
GLU( 18 A 79) HE2
GLU( 18 A 90) HE2
ASP( 19 A 6) HD2
ASP( 19 A 8) HD2
GLU( 19 A 38) HE2
GLU( 19 A 48) HE2
ASP( 19 A 54) HD2
GLU( 19 A 59) HE2
GLU( 19 A 62) HE2
ASP( 19 A 64) HD2
GLU( 19 A 66) HE2
GLU( 19 A 70) HE2
GLU( 19 A 79) HE2
GLU( 19 A 90) HE2
ASP( 20 A 6) HD2
ASP( 20 A 8) HD2
GLU( 20 A 38) HE2
GLU( 20 A 48) HE2
ASP( 20 A 54) HD2
GLU( 20 A 59) HE2
GLU( 20 A 62) HE2
ASP( 20 A 64) HD2
GLU( 20 A 66) HE2
GLU( 20 A 70) HE2
GLU( 20 A 79) HE2
GLU( 20 A 90) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 96) O2
HIS( 2 A 96) O2
HIS( 3 A 96) O2
HIS( 4 A 96) O2
HIS( 5 A 96) O2
HIS( 6 A 96) O2
HIS( 7 A 96) O2
HIS( 8 A 96) O2
HIS( 9 A 96) O2
HIS( 10 A 96) O2
HIS( 11 A 96) O2
HIS( 12 A 96) O2
HIS( 13 A 96) O2
HIS( 14 A 96) O2
HIS( 15 A 96) O2
HIS( 16 A 96) O2
HIS( 17 A 96) O2
HIS( 18 A 96) O2
HIS( 19 A 96) O2
HIS( 20 A 96) O2
CHECK TERMINAL ATOMS
--------------------
Terminal atom(s) showed in middle of sequence will be deleted:
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A
1H SER 1 A
2H SER 1 A
3H SER 1 A