Detailed results of SGR42_NMR_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 547
# INTRA-RESIDUE RESTRAINTS (I=J) : 119
# SEQUENTIAL RESTRAINTS (I-J)=1 : 148
# BACKBONE-BACKBONE : 55
# BACKBONE-SIDE CHAIN : 9
# SIDE CHAIN-SIDE CHAIN : 84
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 57
# BACKBONE-BACKBONE : 6
# BACKBONE-SIDE CHAIN : 10
# SIDE CHAIN-SIDE CHAIN : 41
# LONG RANGE RESTRAINTS (I-J)>=5 : 223
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 547
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 1.0 0.0 1.0 0.0 0.0
ILE 2 1 4.5 1.5 1.5 1.5 0.0
PHE 3 2 5.0 3.0 1.5 0.5 0.0
PRO 4 0 7.0 2.0 0.5 4.5 0.0
GLY 5 0 2.5 1.0 0.0 1.5 0.0
ALA 6 0 6.5 1.5 3.0 2.0 0.0
THR 7 1 8.0 3.5 0.0 4.5 0.0
VAL 8 2 13.0 4.0 0.5 8.5 0.0
ARG 9 4 10.5 2.5 1.0 7.0 0.0
VAL 10 3 14.5 2.0 2.0 10.5 0.0
THR 11 1 7.0 1.5 1.0 4.5 0.0
ASN 12 0 8.0 1.5 3.5 3.0 0.0
VAL 13 1 6.5 2.5 0.0 4.0 0.0
ASP 14 3 2.0 2.0 0.0 0.0 0.0
ASP 15 2 4.0 1.0 2.0 1.0 0.0
THR 16 2 3.0 3.0 0.0 0.0 0.0
TYR 17 1 10.5 3.5 1.5 5.5 0.0
TYR 18 3 12.0 3.0 1.0 8.0 0.0
ARG 19 5 4.0 2.5 0.0 1.5 0.0
PHE 20 3 6.5 2.0 2.0 2.5 0.0
GLU 21 1 6.0 2.5 0.0 3.5 0.0
GLY 22 0 7.0 2.0 0.0 5.0 0.0
LEU 23 3 6.0 1.5 0.5 4.0 0.0
VAL 24 1 10.5 1.5 1.0 8.0 0.0
GLN 25 5 9.5 2.5 0.5 6.5 0.0
ARG 26 1 9.0 4.0 1.0 4.0 0.0
VAL 27 2 9.5 5.0 0.0 4.5 0.0
SER 28 0 4.0 3.5 0.5 0.0 0.0
ASP 29 1 2.5 2.5 0.0 0.0 0.0
GLY 30 0 3.5 2.0 0.0 1.5 0.0
LYS 31 4 8.5 2.0 0.5 6.0 0.0
ALA 32 0 7.0 2.5 0.0 4.5 0.0
ALA 33 0 8.5 2.0 0.0 6.5 0.0
VAL 34 2 11.0 2.0 1.5 7.5 0.0
LEU 35 4 14.5 2.5 1.0 11.0 0.0
PHE 36 2 16.5 3.5 1.5 11.5 0.0
GLU 37 2 6.5 3.0 1.5 2.0 0.0
ASN 38 2 3.5 1.5 2.0 0.0 0.0
GLY 39 0 1.0 1.0 0.0 0.0 0.0
ASN 40 1 2.5 2.5 0.0 0.0 0.0
TRP 41 5 10.0 3.0 4.0 3.0 0.0
ASP 42 1 6.0 2.5 0.0 3.5 0.0
LYS 43 4 7.5 2.5 3.0 2.0 0.0
LEU 44 4 6.5 3.0 0.0 3.5 0.0
VAL 45 1 10.5 3.0 3.0 4.5 0.0
THR 46 2 7.5 2.5 0.0 5.0 0.0
PHE 47 2 16.5 3.0 2.5 11.0 0.0
ARG 48 5 8.0 2.5 2.5 3.0 0.0
LEU 49 6 7.0 3.0 1.0 3.0 0.0
SER 50 3 4.0 2.5 1.5 0.0 0.0
GLU 51 1 8.0 2.5 3.0 2.5 0.0
LEU 52 5 12.5 3.5 1.0 8.0 0.0
GLU 53 1 9.5 3.0 1.0 5.5 0.0
ALA 54 0 7.0 2.5 0.0 4.5 0.0
VAL 55 3 11.0 2.5 1.0 7.5 0.0
LYS 56 4 3.5 3.5 0.0 0.0 0.0
PRO 57 0 3.5 3.5 0.0 0.0 0.0
ILE 58 5 3.0 3.0 0.0 0.0 0.0
LEU 59 1 2.0 2.0 0.0 0.0 0.0
GLU 60 1 1.0 1.0 0.0 0.0 0.0
HIS 61 0 0.5 0.5 0.0 0.0 0.0
HIS 62 0 0.0 0.0 0.0 0.0 0.0
HIS 63 0 0.0 0.0 0.0 0.0 0.0
HIS 64 0 0.0 0.0 0.0 0.0 0.0
HIS 65 0 0.0 0.0 0.0 0.0 0.0
HIS 66 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 119 428.0 148.0 57.0 223.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 547.0
List of conformationally-resticting NOE constraints
assign ((resid 8 and name HN )) ( (resid 8 and name HB )) 3.76 1.96 0.38
assign ((resid 7 and name HB )) ( (resid 8 and name HN )) 3.95 2.15 0.40
assign ((resid 32 and name HA )) ( (resid 33 and name HN )) 2.59 0.79 0.26
assign ((resid 58 and name HA )) ( (resid 59 and name HN )) 2.65 0.85 0.27
assign ((resid 26 and name HN )) ( (resid 33 and name HN )) 3.08 1.28 0.31
assign ((resid 25 and name HB2 )) ( (resid 26 and name HN )) 3.64 1.84 0.36
assign ((resid 25 and name HN )) ( (resid 26 and name HN )) 2.77 0.97 0.28
assign ((resid 28 and name HB* )) ( (resid 29 and name HN )) 5.02 3.22 0.50
assign ((resid 28 and name HN )) ( (resid 31 and name HN )) 3.67 1.87 0.37
assign ((resid 29 and name HN )) ( (resid 30 and name HN )) 3.70 1.90 0.37
assign ((resid 55 and name HA )) ( (resid 56 and name HN )) 2.65 0.85 0.27
assign ((resid 42 and name HA )) ( (resid 43 and name HN )) 2.74 0.94 0.27
assign ((resid 41 and name HB2 )) ( (resid 42 and name HN )) 3.76 1.96 0.38
assign ((resid 22 and name HA1 )) ( (resid 23 and name HN )) 2.96 1.16 0.30
assign ((resid 32 and name HN )) ( (resid 47 and name HN )) 3.21 1.41 0.32
assign ((resid 22 and name HA2 )) ( (resid 23 and name HN )) 2.96 1.16 0.30
assign ((resid 41 and name HA )) ( (resid 42 and name HN )) 2.77 0.97 0.28
assign ((resid 27 and name HA )) ( (resid 28 and name HN )) 2.46 0.66 0.25
assign ((resid 14 and name HN )) ( (resid 14 and name HB2 )) 3.27 1.47 0.33
assign ((resid 9 and name HA )) ( (resid 10 and name HN )) 2.68 0.88 0.27
assign ((resid 34 and name HN )) ( (resid 46 and name HA )) 3.61 1.81 0.36
assign ((resid 12 and name HB* )) ( (resid 13 and name HN )) 5.30 3.50 0.53
assign ((resid 2 and name HB )) ( (resid 3 and name HN )) 3.83 2.03 0.38
assign ((resid 20 and name HA )) ( (resid 21 and name HN )) 2.62 0.82 0.26
assign ((resid 13 and name HN )) ( (resid 13 and name HB )) 3.11 1.31 0.31
assign ((resid 35 and name HN )) ( (resid 35 and name HB1 )) 2.93 1.13 0.29
assign ((resid 59 and name HA )) ( (resid 60 and name HN )) 2.74 0.94 0.27
assign ((resid 10 and name HN )) ( (resid 10 and name HB )) 3.02 1.22 0.30
assign ((resid 2 and name HA )) ( (resid 3 and name HN )) 2.52 0.72 0.25
assign ((resid 20 and name HB2 )) ( (resid 21 and name HN )) 3.83 2.03 0.38
assign ((resid 44 and name HA )) ( (resid 45 and name HN )) 2.62 0.82 0.26
assign ((resid 21 and name HB* )) ( (resid 22 and name HN )) 4.71 2.91 0.47
assign ((resid 18 and name HN )) ( (resid 18 and name HB1 )) 2.80 1.00 0.28
assign ((resid 35 and name HN )) ( (resid 35 and name HB2 )) 3.33 1.53 0.33
assign ((resid 4 and name HA )) ( (resid 6 and name HN )) 3.48 1.68 0.35
assign ((resid 41 and name HN )) ( (resid 41 and name HB2 )) 3.33 1.53 0.33
assign ((resid 60 and name HA )) ( (resid 61 and name HN )) 3.33 1.53 0.33
assign ((resid 5 and name HN )) ( (resid 6 and name HN )) 2.96 1.16 0.30
assign ((resid 24 and name HN )) ( (resid 24 and name HB )) 2.93 1.13 0.29
assign ((resid 15 and name HN )) ( (resid 15 and name HB2 )) 2.93 1.13 0.29
assign ((resid 9 and name HN )) ( (resid 53 and name HN )) 2.99 1.19 0.30
assign ((resid 43 and name HN )) ( (resid 43 and name HB2 )) 3.58 1.78 0.36
assign ((resid 26 and name HA )) ( (resid 27 and name HN )) 2.52 0.72 0.25
assign ((resid 15 and name HN )) ( (resid 15 and name HB1 )) 2.93 1.13 0.29
assign ((resid 8 and name HN )) ( (resid 22 and name HN )) 3.05 1.25 0.31
assign ((resid 11 and name HN )) ( (resid 12 and name HN )) 3.02 1.22 0.30
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 3.39 1.59 0.34
assign ((resid 35 and name HA )) ( (resid 45 and name HN )) 3.92 2.12 0.39
assign ((resid 41 and name HN )) ( (resid 41 and name HB1 )) 3.27 1.47 0.33
assign ((resid 10 and name HA )) ( (resid 12 and name HN )) 3.61 1.81 0.36
assign ((resid 26 and name HN )) ( (resid 27 and name HN )) 3.92 2.12 0.39
assign ((resid 33 and name HA )) ( (resid 46 and name HN )) 4.04 2.24 0.40
assign ((resid 6 and name HA )) ( (resid 7 and name HN )) 2.59 0.79 0.26
assign ((resid 46 and name HB )) ( (resid 47 and name HN )) 3.76 1.96 0.38
assign ((resid 31 and name HN )) ( (resid 31 and name HB1 )) 3.39 1.59 0.34
assign ((resid 30 and name HN )) ( (resid 31 and name HN )) 2.96 1.16 0.30
assign ((resid 13 and name HN )) ( (resid 14 and name HN )) 2.99 1.19 0.30
assign ((resid 7 and name HN )) ( (resid 7 and name HB )) 2.93 1.13 0.29
assign ((resid 14 and name HN )) ( (resid 15 and name HN )) 2.93 1.13 0.29
assign ((resid 31 and name HA )) ( (resid 49 and name HN )) 3.14 1.34 0.31
assign ((resid 31 and name HB2 )) ( (resid 32 and name HN )) 3.89 2.09 0.39
assign ((resid 40 and name HN )) ( (resid 41 and name HN )) 3.55 1.75 0.35
assign ((resid 31 and name HA )) ( (resid 32 and name HN )) 2.65 0.85 0.27
assign ((resid 15 and name HA )) ( (resid 16 and name HN )) 2.65 0.85 0.27
assign ((resid 52 and name HN )) ( (resid 52 and name HB2 )) 2.96 1.16 0.30
assign ((resid 40 and name HB1 )) ( (resid 41 and name HN )) 4.01 2.21 0.40
assign ((resid 16 and name HN )) ( (resid 17 and name HN )) 3.64 1.84 0.36
assign ((resid 48 and name HB2 )) ( (resid 50 and name HN )) 3.27 1.47 0.33
assign ((resid 49 and name HB2 )) ( (resid 50 and name HN )) 3.14 1.34 0.31
assign ((resid 49 and name HN )) ( (resid 50 and name HN )) 3.08 1.28 0.31
assign ((resid 31 and name HB1 )) ( (resid 32 and name HN )) 3.08 1.28 0.31
assign ((resid 48 and name HB2 )) ( (resid 51 and name HN )) 3.64 1.84 0.36
assign ((resid 35 and name HA )) ( (resid 36 and name HN )) 2.65 0.85 0.27
assign ((resid 51 and name HN )) ( (resid 52 and name HN )) 2.87 1.07 0.29
assign ((resid 51 and name HB* )) ( (resid 52 and name HN )) 4.80 3.00 0.48
assign ((resid 36 and name HN )) ( (resid 43 and name HN )) 3.45 1.65 0.34
assign ((resid 55 and name HN )) ( (resid 55 and name HB )) 3.11 1.31 0.31
assign ((resid 23 and name HN )) ( (resid 35 and name HN )) 3.24 1.44 0.32
assign ((resid 36 and name HN )) ( (resid 36 and name HB2 )) 3.27 1.47 0.33
assign ((resid 17 and name HN )) ( (resid 18 and name HN )) 3.17 1.37 0.32
assign ((resid 32 and name HN )) ( (resid 48 and name HA )) 3.73 1.93 0.37
assign ((resid 54 and name HA )) ( (resid 55 and name HN )) 2.49 0.69 0.25
assign ((resid 34 and name HN )) ( (resid 34 and name HB )) 3.02 1.22 0.30
assign ((resid 8 and name HA )) ( (resid 55 and name HN )) 2.99 1.19 0.30
assign ((resid 55 and name HB )) ( (resid 56 and name HN )) 2.99 1.19 0.30
assign ((resid 33 and name HA )) ( (resid 34 and name HN )) 2.59 0.79 0.26
assign ((resid 48 and name HA )) ( (resid 49 and name HN )) 2.74 0.94 0.27
assign ((resid 47 and name HA )) ( (resid 48 and name HN )) 2.83 1.03 0.28
assign ((resid 25 and name HN )) ( (resid 34 and name HA )) 3.33 1.53 0.33
assign ((resid 25 and name HN )) ( (resid 33 and name HN )) 3.83 2.03 0.38
assign ((resid 29 and name HA )) ( (resid 30 and name HN )) 3.08 1.28 0.31
assign ((resid 36 and name HB2 )) ( (resid 37 and name HN )) 3.86 2.06 0.39
assign ((resid 12 and name HB* )) ( (resid 15 and name HN )) 4.96 3.16 0.50
assign ((resid 16 and name HN )) ( (resid 16 and name HB )) 3.21 1.41 0.32
assign ((resid 12 and name HA )) ( (resid 13 and name HN )) 2.49 0.69 0.25
assign ((resid 25 and name HN )) ( (resid 25 and name HB1 )) 3.76 1.96 0.38
assign ((resid 18 and name HA )) ( (resid 19 and name HN )) 2.68 0.88 0.27
assign ((resid 36 and name HB1 )) ( (resid 37 and name HN )) 3.42 1.62 0.34
assign ((resid 8 and name HB )) ( (resid 9 and name HN )) 2.83 1.03 0.28
assign ((resid 57 and name HA )) ( (resid 58 and name HN )) 2.59 0.79 0.26
assign ((resid 4 and name HA )) ( (resid 5 and name HN )) 2.56 0.76 0.26
assign ((resid 49 and name HB1 )) ( (resid 50 and name HN )) 3.95 2.15 0.40
assign ((resid 3 and name HN )) ( (resid 3 and name HB2 )) 3.52 1.72 0.35
assign ((resid 25 and name HN )) ( (resid 35 and name HN )) 3.92 2.12 0.39
assign ((resid 49 and name HN )) ( (resid 51 and name HN )) 3.42 1.62 0.34
assign ((resid 51 and name HN )) ( (resid 51 and name HG* )) 4.18 2.38 0.42
assign ((resid 58 and name HN )) ( (resid 58 and name HG12 )) 4.11 2.31 0.41
assign ((resid 56 and name HN )) ( (resid 56 and name HG* )) 5.42 3.62 0.54
assign ((resid 36 and name HD* )) ( (resid 37 and name HN )) 6.64 4.84 0.66
assign ((resid 37 and name HG* )) ( (resid 38 and name HN )) 6.35 4.55 0.63
assign ((resid 44 and name HG )) ( (resid 45 and name HN )) 3.55 1.75 0.35
assign ((resid 9 and name HN )) ( (resid 53 and name HG* )) 5.48 3.68 0.55
assign ((resid 17 and name HE* )) ( (resid 45 and name HN )) 7.51 5.71 0.75
assign ((resid 45 and name HN )) ( (resid 47 and name HE* )) 6.95 5.15 0.69
assign ((resid 12 and name HD21 )) ( (resid 51 and name HB* )) 5.95 4.15 0.59
assign ((resid 12 and name HD22 )) ( (resid 51 and name HG* )) 5.76 3.96 0.58
assign ((resid 13 and name HN )) ( (resid 18 and name HE* )) 7.11 5.31 0.71
assign ((resid 35 and name HG )) ( (resid 36 and name HN )) 4.04 2.24 0.40
assign ((resid 51 and name HN )) ( (resid 52 and name HG )) 4.45 2.65 0.44
assign ((resid 16 and name HN )) ( (resid 17 and name HD* )) 7.50 5.70 0.75
assign ((resid 18 and name HD* )) ( (resid 19 and name HN )) 6.14 4.34 0.61
assign ((resid 48 and name HN )) ( (resid 48 and name HG1 )) 4.35 2.55 0.44
assign ((resid 53 and name HG* )) ( (resid 54 and name HN )) 5.36 3.56 0.54
assign ((resid 23 and name HN )) ( (resid 35 and name HB2 )) 4.42 2.62 0.44
assign ((resid 23 and name HN )) ( (resid 35 and name HB1 )) 4.29 2.49 0.43
assign ((resid 19 and name HN )) ( (resid 19 and name HG1 )) 4.48 2.68 0.45
assign ((resid 10 and name HB )) ( (resid 19 and name HN )) 3.33 1.53 0.33
assign ((resid 22 and name HN )) ( (resid 36 and name HE* )) 6.95 5.15 0.69
assign ((resid 19 and name HN )) ( (resid 19 and name HG2 )) 4.48 2.68 0.45
assign ((resid 60 and name HN )) ( (resid 60 and name HG* )) 5.42 3.62 0.54
assign ((resid 12 and name HN )) ( (resid 18 and name HD* )) 6.20 4.40 0.62
assign ((resid 27 and name HG2* )) ( (resid 28 and name HN )) 4.47 2.67 0.45
assign ((resid 30 and name HN )) ( (resid 49 and name HD1* )) 4.50 2.70 0.45
assign ((resid 31 and name HN )) ( (resid 49 and name HD1* )) 4.35 2.55 0.44
assign ((resid 10 and name HN )) ( (resid 10 and name HG1* )) 4.88 3.08 0.49
assign ((resid 34 and name HG1* )) ( (resid 35 and name HN )) 3.70 1.90 0.37
assign ((resid 36 and name HN )) ( (resid 44 and name HD1* )) 4.66 2.86 0.47
assign ((resid 5 and name HN )) ( (resid 24 and name HG1* )) 4.26 2.46 0.43
assign ((resid 11 and name HN )) ( (resid 11 and name HG2* )) 3.95 2.15 0.40
assign ((resid 6 and name HN )) ( (resid 24 and name HG1* )) 4.50 2.70 0.45
assign ((resid 7 and name HG2* )) ( (resid 8 and name HN )) 3.76 1.96 0.38
assign ((resid 9 and name HN )) ( (resid 55 and name HG2* )) 4.32 2.52 0.43
assign ((resid 35 and name HD1* )) ( (resid 43 and name HN )) 4.04 2.24 0.40
assign ((resid 27 and name HN )) ( (resid 27 and name HG2* )) 3.88 2.08 0.39
assign ((resid 11 and name HN )) ( (resid 52 and name HD2* )) 4.75 2.95 0.47
assign ((resid 8 and name HG2* )) ( (resid 24 and name HN )) 4.04 2.24 0.40
assign ((resid 49 and name HN )) ( (resid 49 and name HD1* )) 4.50 2.70 0.45
assign ((resid 46 and name HG2* )) ( (resid 47 and name HN )) 3.82 2.02 0.38
assign ((resid 6 and name HB* )) ( (resid 7 and name HN )) 3.64 1.84 0.36
assign ((resid 24 and name HG1* )) ( (resid 33 and name HN )) 4.81 3.01 0.48
assign ((resid 35 and name HN )) ( (resid 44 and name HD1* )) 4.91 3.11 0.49
assign ((resid 52 and name HN )) ( (resid 52 and name HD1* )) 5.00 3.20 0.50
assign ((resid 46 and name HN )) ( (resid 46 and name HG2* )) 4.94 3.14 0.49
assign ((resid 45 and name HG1* )) ( (resid 46 and name HN )) 3.42 1.62 0.34
assign ((resid 10 and name HG1* )) ( (resid 18 and name HN )) 4.66 2.86 0.47
assign ((resid 10 and name HG1* )) ( (resid 19 and name HN )) 4.60 2.80 0.46
assign ((resid 33 and name HB* )) ( (resid 34 and name HN )) 4.38 2.58 0.44
assign ((resid 52 and name HD2* )) ( (resid 53 and name HN )) 4.88 3.08 0.49
assign ((resid 22 and name HN )) ( (resid 34 and name HG1* )) 4.97 3.17 0.50
assign ((resid 7 and name HG2* )) ( (resid 22 and name HN )) 4.38 2.58 0.44
assign ((resid 8 and name HG1* )) ( (resid 54 and name HN )) 4.44 2.64 0.44
assign ((resid 34 and name HN )) ( (resid 34 and name HG2* )) 3.70 1.90 0.37
assign ((resid 32 and name HB* )) ( (resid 33 and name HN )) 3.91 2.11 0.39
assign ((resid 23 and name HN )) ( (resid 34 and name HG1* )) 4.16 2.36 0.42
assign ((resid 27 and name HG1* )) ( (resid 28 and name HN )) 3.64 1.84 0.36
assign ((resid 8 and name HG1* )) ( (resid 55 and name HN )) 4.26 2.46 0.43
assign ((resid 55 and name HN )) ( (resid 55 and name HG1* )) 4.26 2.46 0.43
assign ((resid 49 and name HN )) ( (resid 49 and name HD2* )) 4.07 2.27 0.41
assign ((resid 55 and name HG1* )) ( (resid 56 and name HN )) 4.13 2.33 0.41
assign ((resid 23 and name HN )) ( (resid 23 and name HD* )) 6.57 4.77 0.66
assign ((resid 58 and name HN )) ( (resid 58 and name HG2* )) 4.35 2.55 0.44
assign ((resid 24 and name HG1* )) ( (resid 25 and name HN )) 4.10 2.30 0.41
assign ((resid 8 and name HG2* )) ( (resid 22 and name HN )) 4.01 2.21 0.40
assign ((resid 25 and name HE21 )) ( (resid 35 and name HD2* )) 4.38 2.58 0.44
assign ((resid 16 and name HN )) ( (resid 16 and name HG2* )) 4.41 2.61 0.44
assign ((resid 13 and name HG* )) ( (resid 14 and name HN )) 5.31 3.51 0.53
assign ((resid 25 and name HE22 )) ( (resid 35 and name HD2* )) 4.38 2.58 0.44
assign ((resid 10 and name HG1* )) ( (resid 11 and name HN )) 4.10 2.30 0.41
assign ((resid 3 and name HN )) ( (resid 6 and name HB* )) 3.45 1.65 0.34
assign ((resid 36 and name HA )) ( (resid 37 and name HN )) 2.65 0.85 0.27
assign ((resid 25 and name HB1 )) ( (resid 26 and name HN )) 3.64 1.84 0.36
assign ((resid 7 and name HA )) ( (resid 8 and name HN )) 2.59 0.79 0.26
assign ((resid 40 and name HB2 )) ( (resid 41 and name HN )) 4.01 2.21 0.40
assign ((resid 8 and name HA )) ( (resid 9 and name HN )) 2.68 0.88 0.27
assign ((resid 18 and name HN )) ( (resid 18 and name HB2 )) 2.80 1.00 0.28
assign ((resid 31 and name HN )) ( (resid 31 and name HB2 )) 2.93 1.13 0.29
assign ((resid 50 and name HN )) ( (resid 50 and name HB2 )) 3.55 1.75 0.35
assign ((resid 50 and name HA )) ( (resid 50 and name HB2 )) 2.74 0.94 0.27
assign ((resid 46 and name HN )) ( (resid 46 and name HB )) 2.83 1.03 0.28
assign ((resid 28 and name HA )) ( (resid 29 and name HN )) 2.74 0.94 0.27
assign ((resid 48 and name HB1 )) ( (resid 49 and name HN )) 3.70 1.90 0.37
assign ((resid 48 and name HN )) ( (resid 48 and name HB1 )) 3.61 1.81 0.36
assign ((resid 58 and name HN )) ( (resid 58 and name HB )) 2.99 1.19 0.30
assign ((resid 23 and name HA )) ( (resid 24 and name HN )) 2.56 0.76 0.26
assign ((resid 23 and name HN )) ( (resid 23 and name HB2 )) 3.39 1.59 0.34
assign ((resid 10 and name HA )) ( (resid 11 and name HN )) 2.68 0.88 0.27
assign ((resid 43 and name HA )) ( (resid 44 and name HN )) 2.52 0.72 0.25
assign ((resid 17 and name HA )) ( (resid 18 and name HN )) 2.93 1.13 0.29
assign ((resid 56 and name HN )) ( (resid 56 and name HB1 )) 3.48 1.68 0.35
assign ((resid 52 and name HN )) ( (resid 52 and name HB1 )) 3.61 1.81 0.36
assign ((resid 52 and name HB1 )) ( (resid 53 and name HN )) 3.48 1.68 0.35
assign ((resid 52 and name HA )) ( (resid 53 and name HN )) 2.65 0.85 0.27
assign ((resid 45 and name HA )) ( (resid 46 and name HN )) 2.52 0.72 0.25
assign ((resid 50 and name HN )) ( (resid 50 and name HB1 )) 3.08 1.28 0.31
assign ((resid 47 and name HB1 )) ( (resid 48 and name HN )) 3.14 1.34 0.31
assign ((resid 46 and name HA )) ( (resid 47 and name HN )) 2.59 0.79 0.26
assign ((resid 48 and name HN )) ( (resid 48 and name HB2 )) 3.39 1.59 0.34
assign ((resid 57 and name HB2 )) ( (resid 58 and name HN )) 4.14 2.34 0.41
assign ((resid 26 and name HB* )) ( (resid 27 and name HN )) 4.46 2.66 0.45
assign ((resid 53 and name HA )) ( (resid 54 and name HN )) 2.71 0.91 0.27
assign ((resid 35 and name HB1 )) ( (resid 36 and name HN )) 4.11 2.31 0.41
assign ((resid 34 and name HA )) ( (resid 35 and name HN )) 2.62 0.82 0.26
assign ((resid 13 and name HB )) ( (resid 14 and name HN )) 4.01 2.21 0.40
assign ((resid 43 and name HN )) ( (resid 43 and name HB1 )) 3.58 1.78 0.36
assign ((resid 56 and name HN )) ( (resid 56 and name HB2 )) 3.48 1.68 0.35
assign ((resid 49 and name HN )) ( (resid 49 and name HB2 )) 2.80 1.00 0.28
assign ((resid 45 and name HN )) ( (resid 45 and name HB )) 3.17 1.37 0.32
assign ((resid 20 and name HB1 )) ( (resid 21 and name HN )) 3.30 1.50 0.33
assign ((resid 20 and name HN )) ( (resid 20 and name HB1 )) 3.52 1.72 0.35
assign ((resid 25 and name HN )) ( (resid 25 and name HB2 )) 3.76 1.96 0.38
assign ((resid 42 and name HB1 )) ( (resid 43 and name HN )) 3.86 2.06 0.39
assign ((resid 47 and name HB2 )) ( (resid 48 and name HN )) 3.30 1.50 0.33
assign ((resid 47 and name HN )) ( (resid 47 and name HB2 )) 3.39 1.59 0.34
assign ((resid 20 and name HN )) ( (resid 20 and name HB2 )) 3.11 1.31 0.31
assign ((resid 42 and name HB2 )) ( (resid 43 and name HN )) 3.86 2.06 0.39
assign ((resid 57 and name HB1 )) ( (resid 58 and name HN )) 3.79 1.99 0.38
assign ((resid 9 and name HN )) ( (resid 9 and name HB2 )) 3.86 2.06 0.39
assign ((resid 14 and name HN )) ( (resid 14 and name HB1 )) 3.27 1.47 0.33
assign ((resid 9 and name HN )) ( (resid 9 and name HB1 )) 3.86 2.06 0.39
assign ((resid 23 and name HN )) ( (resid 23 and name HB1 )) 3.39 1.59 0.34
assign ((resid 44 and name HN )) ( (resid 44 and name HB2 )) 3.21 1.41 0.32
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assign ((resid 23 and name HB* )) ( (resid 35 and name HG )) 4.06 2.26 0.41
assign ((resid 25 and name HN )) ( (resid 25 and name HB* )) 3.06 1.26 0.31
assign ((resid 25 and name HN )) ( (resid 25 and name HE* )) 4.41 2.61 0.44
assign ((resid 25 and name HA )) ( (resid 25 and name HE* )) 4.12 2.32 0.41
assign ((resid 25 and name HB* )) ( (resid 33 and name HB* )) 5.33 3.53 0.53
assign ((resid 25 and name HB* )) ( (resid 44 and name HD1* )) 6.29 4.49 0.63
assign ((resid 25 and name HE* )) ( (resid 35 and name HB1 )) 3.55 1.75 0.35
assign ((resid 25 and name HE* )) ( (resid 35 and name HD2* )) 3.78 1.98 0.38
assign ((resid 26 and name HN )) ( (resid 26 and name HG* )) 5.11 3.31 0.51
assign ((resid 26 and name HG* )) ( (resid 27 and name HN )) 4.94 3.14 0.49
assign ((resid 26 and name HG* )) ( (resid 33 and name HN )) 4.41 2.61 0.44
assign ((resid 29 and name HN )) ( (resid 29 and name HB* )) 3.49 1.69 0.35
assign ((resid 29 and name HB* )) ( (resid 30 and name HN )) 3.94 2.14 0.39
assign ((resid 31 and name HG* )) ( (resid 48 and name HA )) 4.17 2.37 0.42
assign ((resid 31 and name HG* )) ( (resid 48 and name HG* )) 4.99 3.19 0.50
assign ((resid 35 and name HD1* )) ( (resid 42 and name HB* )) 4.74 2.94 0.47
assign ((resid 36 and name HB2 )) ( (resid 43 and name HB* )) 5.17 3.37 0.52
assign ((resid 37 and name HN )) ( (resid 37 and name HB* )) 3.01 1.21 0.30
assign ((resid 37 and name HA )) ( (resid 42 and name HB* )) 4.76 2.96 0.48
assign ((resid 37 and name HB* )) ( (resid 38 and name HN )) 3.94 2.14 0.39
assign ((resid 37 and name HG* )) ( (resid 42 and name HB* )) 5.55 3.75 0.56
assign ((resid 38 and name HB* )) ( (resid 39 and name HN )) 3.91 2.11 0.39
assign ((resid 38 and name HB* )) ( (resid 41 and name HE3 )) 4.58 2.78 0.46
assign ((resid 39 and name HA* )) ( (resid 40 and name HN )) 3.13 1.33 0.31
assign ((resid 40 and name HB* )) ( (resid 40 and name HD2* )) 3.00 1.20 0.30
assign ((resid 40 and name HB* )) ( (resid 41 and name HN )) 3.52 1.72 0.35
assign ((resid 41 and name HZ2 )) ( (resid 43 and name HB* )) 4.15 2.35 0.42
assign ((resid 42 and name HN )) ( (resid 42 and name HB* )) 3.32 1.52 0.33
assign ((resid 43 and name HN )) ( (resid 43 and name HB* )) 3.13 1.33 0.31
assign ((resid 48 and name HN )) ( (resid 48 and name HG* )) 3.55 1.75 0.35
assign ((resid 53 and name HN )) ( (resid 53 and name HB* )) 3.50 1.70 0.35
assign ((resid 53 and name HB* )) ( (resid 54 and name HN )) 3.53 1.73 0.35
assign ((resid 56 and name HN )) ( (resid 56 and name HB* )) 2.85 1.05 0.28
assign ((resid 56 and name HA )) ( (resid 57 and name HD* )) 2.70 0.90 0.27
assign ((resid 56 and name HB* )) ( (resid 57 and name HD* )) 3.84 2.04 0.38
assign ((resid 58 and name HN )) ( (resid 58 and name HG1* )) 3.58 1.78 0.36
list of removed NOE constraints
3-> GLU 51 HN - GLU 51 HB* 1.80 4.57 # NoRestrctn I [2.29 3.93] -- intra
24-> ASP 42 HN - ASP 42 HB1 1.80 4.38 # NoRestrctn I [2.00 4.30] -- intra
64-> ASN 40 HN - ASN 40 HB1 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
90-> GLY 30 HN - GLY 30 HA2 1.80 3.11 # NoRestrctn I [2.00 2.99] -- intra
96-> ARG 19 HN - ARG 19 HA 1.80 2.95 # NoRestrctn I [2.22 2.95] -- intra
131-> TYR 17 HN - TYR 17 HD* 1.80 7.68 # NoRestrctn I [2.29 6.01] -- intra
142-> ALA 32 HN - ALA 32 HB* 1.80 3.83 # NoRestrctn I [2.66 3.68] -- intra
165-> ALA 54 HN - ALA 54 HB* 1.80 3.76 # NoRestrctn I [2.66 3.68] -- intra
189-> PHE 36 HA - PHE 36 HB1 1.80 3.29 # NoRestrctn I [2.22 3.02] -- intra
205-> ASN 12 HN - ASN 12 HB* 1.80 4.50 # NoRestrctn I [2.29 3.93] -- intra
208-> GLU 53 HN - GLU 53 HB1 1.80 4.41 # NoRestrctn I [2.00 4.30] -- intra
209-> VAL 8 HA - VAL 8 HB 1.80 3.19 # NoRestrctn I [2.22 3.02] -- intra
212-> LYS 31 HA - LYS 31 HB1 1.80 3.29 # NoRestrctn I [2.22 3.02] -- intra
216-> GLU 60 HN - GLU 60 HB* 1.80 4.57 # NoRestrctn I [2.29 3.93] -- intra
219-> SER 50 HA - SER 50 HB1 1.80 3.11 # NoRestrctn I [2.22 3.02] -- intra
221-> PHE 47 HN - PHE 47 HB1 1.80 4.48 # NoRestrctn I [2.00 4.30] -- intra
234-> VAL 13 HA - VAL 13 HB 1.80 3.26 # NoRestrctn I [2.22 3.02] -- intra
242-> ASP 42 HN - ASP 42 HB2 1.80 4.38 # NoRestrctn I [2.00 4.30] -- intra
251-> ASP 29 HN - ASP 29 HA 1.80 3.11 # NoRestrctn I [2.22 2.95] -- intra
253-> GLU 53 HN - GLU 53 HB2 1.80 4.41 # NoRestrctn I [2.00 4.30] -- intra
257-> PHE 3 HN - PHE 3 HB1 1.80 4.62 # NoRestrctn I [2.00 4.30] -- intra
270-> ASN 40 HN - ASN 40 HB2 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
281-> PHE 3 HA - PRO 4 HD* 1.80 4.43 # NoRestrctn S [2.00 3.95] -- sequential
283-> ILE 2 HA - ILE 2 HG12 1.80 4.65 # NoRestrctn I [2.06 4.60] -- intra
284-> GLU 53 HN - GLU 53 HG* 1.80 6.34 # NoRestrctn I [2.29 6.01] -- intra
293-> GLN 25 HN - GLN 25 HG* 1.80 7.02 # NoRestrctn I [2.29 6.01] -- intra
298-> ILE 2 HA - ILE 2 HG11 1.80 4.65 # NoRestrctn I [2.06 4.60] -- intra
357-> VAL 13 HN - VAL 13 HG* 1.80 4.98 # NoRestrctn I [2.35 4.35] -- intra
359-> ILE 58 HA - ILE 58 HD1* 1.80 6.90 # NoRestrctn I [2.11 5.99] -- intra
364-> LEU 52 HA - LEU 52 HD1* 1.80 7.17 # NoRestrctn I [2.11 5.99] -- intra
366-> ALA 33 HN - ALA 33 HB* 1.80 3.83 # NoRestrctn I [2.66 3.68] -- intra
367-> ALA 6 HN - ALA 6 HB* 1.80 3.76 # NoRestrctn I [2.66 3.68] -- intra
369-> LEU 49 HA - LEU 49 HD1* 1.80 7.00 # NoRestrctn I [2.11 5.99] -- intra
371-> LEU 23 HA - LEU 23 HD* 1.80 6.69 # NoRestrctn I [2.46 4.44] -- intra
373-> VAL 45 HN - VAL 45 HG2* 1.80 6.28 # NoRestrctn I [2.29 6.01] -- intra
440-> ALA 32 HA - ALA 33 HB* 1.80 6.12 # NoRestrctn S [2.00 6.01] -- sequential
449-> ALA 33 HB* - VAL 34 HA 1.80 7.17 # NoRestrctn S [2.00 6.01] -- sequential
480-> PHE 36 HN - PHE 36 HD* 1.80 7.06 # NoRestrctn I [2.29 6.01] -- intra
484-> PHE 20 HN - PHE 20 HD* 1.80 6.89 # NoRestrctn I [2.29 6.01] -- intra
493-> PHE 47 HN - PHE 47 HD* 1.80 6.93 # NoRestrctn I [2.29 6.01] -- intra
542-> ASP 14 HA - ASP 14 HB* 1.80 2.84 # FixedDistn I [0.00 0.00] -- intra
548-> GLU 21 HA - GLU 21 HG* 1.80 4.06 # NoRestrctn I [2.23 4.01] -- intra
====== TOTAL ======: 42
table of distance constraints violations
Residual Violations greater than 0.10
49-> ARG 19 HN - PHE 20 HN [ 1.80 3.73] 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.14]
58-> GLY 30 HN - LYS 31 HN [ 1.80 3.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
121-> ASN 12 HD22 - GLU 51 HG* [ 1.80 6.34] 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.86 .. 0.86]
139-> GLY 30 HN - LEU 49 HD1* [ 1.80 4.95] 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 - 2 [ 1.16 .. 2.02]
140-> LYS 31 HN - LEU 49 HD1* [ 1.80 4.79] 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 - 2 [ 1.05 .. 1.69]
144-> PHE 36 HN - LEU 44 HD1* [ 1.80 5.13] 0.50 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.50 .. 0.76]
177-> VAL 55 HG1* - LYS 56 HN [ 1.80 4.54] 0.30 0.22 0.14 0.18 0.23 0.20 0.41 0.24 0.34 0.05 0.25 0.17 0.33 0.18 0.15 0.49 0.18 0.23 0.19 0.21 - 20 [ 0.05 .. 0.49]
220-> PHE 47 HB3 - ARG 48 HN [ 1.80 3.45] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
266-> LYS 31 HA - ARG 48 HA [ 1.80 3.45] 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.13 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.00 .. 0.13]
271-> ALA 33 HA - THR 46 HA [ 1.80 3.22] 0.02 0.00 0.00 0.00 0.04 0.00 0.06 0.00 0.00 0.10 0.00 0.00 0.16 0.00 0.08 0.00 0.00 0.00 0.00 0.07 - 7 [ 0.02 .. 0.16]
294-> ILE 58 HN - ILE 58 HG13 [ 1.80 4.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.04 0.07 0.11 - 5 [ 0.04 .. 0.11]
336-> ASN 38 HB3 - TRP 41 HE3 [ 1.80 5.78] 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.12]
339-> PHE 36 HE* - VAL 45 HB [ 1.80 6.75] 0.00 0.00 0.24 0.00 0.00 0.00 0.07 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.00 .. 0.24]
345-> ASN 12 HB* - GLU 51 HB* [ 1.80 7.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.19 .. 0.19]
348-> ARG 48 HB2 - GLU 51 HG* [ 1.80 6.09] 0.42 0.44 0.00 0.59 0.17 0.22 0.00 0.34 0.00 0.26 0.00 0.51 0.00 0.32 0.00 0.07 0.31 0.45 0.34 0.19 - 14 [ 0.07 .. 0.59]
413-> VAL 13 HG* - TYR 18 HE* [ 1.80 9.27] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
431-> GLY 30 HA3 - LEU 49 HD1* [ 1.80 6.42] 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 - 2 [ 0.04 .. 0.45]
432-> GLY 30 HA2 - LEU 49 HD1* [ 1.80 5.53] 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.45 .. 0.45]
452-> PHE 47 HB2 - LEU 52 HD1* [ 1.80 5.53] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
466-> VAL 8 HG1* - ALA 54 HA [ 1.80 4.99] 0.00 0.08 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 0.28]
476-> LYS 43 HG* - VAL 45 HG2* [ 1.80 7.94] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.11]
477-> ALA 33 HB* - LEU 44 HD2* [ 1.80 8.29] 0.31 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.12 .. 0.31]
486-> PHE 36 HE* - PHE 47 HE* [ 1.80 10.33] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.20]
503-> PHE 36 HZ - PHE 47 HE* [ 1.80 7.09] 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.00 .. 0.11]
525-> PRO 4 HG* - ARG 26 HA [ 1.80 4.60] 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.30 .. 0.30]
530-> ARG 9 HA - GLU 21 HG* [ 1.80 4.70] 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.36 .. 0.36]
532-> ARG 9 HB* - GLU 21 HG* [ 1.80 4.79] 0.00 0.00 0.00 0.00 0.21 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.21]
537-> ARG 9 HG* - GLU 21 HG* [ 1.80 5.01] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
543-> ASP 15 HN - TYR 18 HB* [ 1.80 3.75] 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.40 0.00 0.00 1.05 0.00 0.00 - 4 [ 0.14 .. 1.17]
552-> LEU 23 HB* - GLN 25 HE2* [ 1.80 3.54] 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.58 .. 0.58]
554-> LEU 23 HB* - LEU 35 HG [ 1.80 4.47] 0.08 0.00 0.42 0.37 0.00 0.23 0.62 0.05 0.59 0.44 0.11 0.00 0.00 0.21 0.00 0.00 0.07 0.00 0.21 0.13 - 13 [ 0.05 .. 0.62]
570-> PHE 36 HB2 - LYS 43 HB* [ 1.80 5.69] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.16 0.00 - 2 [ 0.12 .. 0.16]
576-> ASN 38 HB* - TRP 41 HE3 [ 1.80 5.04] 0.02 0.00 0.12 0.00 0.00 0.04 0.00 0.00 0.02 0.13 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.00 .. 0.13]
589-> ILE 58 HN - ILE 58 HG1* [ 1.80 3.94] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.05 0.08 0.12 - 6 [ 0.01 .. 0.12]
-------------------------------------------
Number of Violations greater than 0.10 8 2 7 5 4 7 2 4 4 10 4 6 4 3 2 2 2 3 4 7
-------------------------------------------
---- 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 4 1 1 3 0 2 1 8 3 4 2 1 1 1 1 0 2 4 1.95
0.2 - 0.5 ang: 6 2 2 2 2 3 1 2 2 2 1 1 1 2 1 1 1 2 2 1 1.85
> 0.5 ang: 2 0 1 2 1 1 1 0 1 0 0 1 1 0 0 0 0 1 0 2 0.70
Total : 11 8 12 7 8 9 6 8 7 12 8 11 7 5 10 5 8 7 7 11 8.35
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 2.018 0.437 0.762 0.865 0.584 1.171 0.621 0.341 0.593 0.441 0.250 0.513 0.582 0.317 0.404 0.487 0.308 1.046 0.336 1.164 2.018
Max Intra Viol : 0.000 0.004 0.000 0.000 0.000 0.000 0.007 0.000 0.069 0.117 0.000 0.089 0.094 0.039 0.042 0.000 0.092 0.052 0.081 0.122 0.122
Max Seque Viol : 0.298 0.218 0.140 0.175 0.233 0.197 0.406 0.243 0.341 0.131 0.250 0.173 0.325 0.180 0.154 0.487 0.178 0.229 0.192 0.214 0.487
Max Medium Viol : 0.415 0.437 0.121 0.588 0.584 1.171 0.089 0.341 0.021 0.260 0.139 0.513 0.582 0.317 0.404 0.072 0.308 1.046 0.336 0.191 1.171
Max Long Viol : 2.018 0.082 0.762 0.865 0.210 0.360 0.621 0.197 0.593 0.441 0.129 0.282 0.156 0.213 0.100 0.118 0.071 0.095 0.213 1.164 2.018
Average Violation : 0.011 0.002 0.004 0.004 0.002 0.004 0.002 0.002 0.002 0.003 0.001 0.003 0.002 0.001 0.002 0.001 0.001 0.003 0.002 0.005 0.00293
Avge Intra Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.001 0.000 0.001 0.001 0.000 0.000 0.000 0.001 0.001 0.001 0.001 0.00042
Avge Seque Viol : 0.003 0.003 0.001 0.004 0.005 0.009 0.001 0.002 0.000 0.004 0.001 0.004 0.004 0.003 0.003 0.001 0.002 0.010 0.002 0.001 0.00322
Avge Mediu Viol : 0.005 0.007 0.005 0.003 0.004 0.003 0.007 0.005 0.010 0.003 0.007 0.006 0.007 0.003 0.004 0.009 0.005 0.004 0.004 0.004 0.00524
Avge Long Viol : 0.025 0.000 0.007 0.007 0.001 0.004 0.003 0.003 0.004 0.004 0.001 0.002 0.001 0.001 0.001 0.001 0.000 0.000 0.002 0.011 0.00392
RMS Violation : 0.116 0.021 0.039 0.048 0.028 0.054 0.031 0.021 0.031 0.026 0.014 0.027 0.029 0.018 0.019 0.021 0.016 0.048 0.020 0.066 0.04166
RMS Intra : 0.000 0.000 0.000 0.000 0.000 0.000 0.001 0.000 0.005 0.012 0.000 0.010 0.008 0.003 0.004 0.000 0.009 0.005 0.008 0.013 0.00593
RMS Sequential : 0.034 0.036 0.013 0.048 0.050 0.097 0.007 0.028 0.002 0.027 0.012 0.043 0.047 0.026 0.033 0.007 0.025 0.093 0.027 0.016 0.04158
RMS Medium range : 0.039 0.032 0.026 0.023 0.031 0.026 0.054 0.032 0.052 0.018 0.035 0.028 0.044 0.024 0.024 0.064 0.026 0.030 0.026 0.028 0.03520
RMS Long range : 0.186 0.006 0.061 0.066 0.015 0.033 0.042 0.020 0.042 0.033 0.011 0.020 0.013 0.014 0.009 0.008 0.005 0.006 0.018 0.106 0.05543
Final --global-- Summary for 20 models, 589 NOEs/model, 11780 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 34.533
Summ sq. viol : 20.446
Maximum viol : 2.018
Average viol : 0.00293
RMSD viol : 0.04166
Std. Dev. viol : 0.04156
RMS Intra : 0.00593
RMS Seque : 0.04158
RMS Medi : 0.03520
RMS Long : 0.05543
JPEG image for inter-residue distance constraints per residue plot
S(phi)|S(psi) V/S Residue number
Text output from PDBStat of phi psi order
# CHAIN .GT. SUM.GT.
# RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6
# -----------------------------------------------------------------------------------
MET A 1 0.611 0.418 0.390 0.282
ILE A 2 0.656 0.997 0.999 1.000
PHE A 3 0.975 0.991 0.791 0.897 3 3
PRO A 4 0.997 0.988 0.980 0.954 4 4
GLY A 5 0.990 0.987 5 5
ALA A 6 0.985 0.991 6 6
THR A 7 0.996 0.998 0.999 7 7
VAL A 8 0.999 0.996 0.999 8 8
ARG A 9 0.989 0.993 0.990 0.981 0.244 0.790 0.998 9 9
VAL A 10 0.994 0.993 1.000 10 10
THR A 11 0.988 0.972 0.784 11 11
ASN A 12 0.991 0.998 0.937 0.737 12 12
VAL A 13 0.989 0.984 0.712 13 13
ASP A 14 0.977 0.902 0.992 0.975 14 14
ASP A 15 0.967 0.990 0.993 0.247 15 15
THR A 16 0.983 0.993 0.957 16 16
TYR A 17 0.991 0.994 0.992 0.502 17 17
TYR A 18 0.996 0.919 0.994 0.911 18 18
ARG A 19 0.772 0.957 0.275 0.977 0.358 0.794 0.997
PHE A 20 0.988 0.998 0.996 0.214 20 20
GLU A 21 0.991 0.988 0.995 0.866 0.370 21 21
GLY A 22 0.980 0.988 22 22
LEU A 23 0.990 0.991 0.697 0.581 23 23
VAL A 24 0.994 0.997 1.000 24 24
GLN A 25 0.992 0.998 0.887 0.621 0.627 25 25
ARG A 26 0.994 0.989 0.905 0.910 0.161 0.777 0.998 26 26
VAL A 27 0.993 0.973 0.999 27 27
SER A 28 0.959 0.570 0.374
ASP A 29 0.481 0.685 0.528 0.263
GLY A 30 0.725 0.958
LYS A 31 0.987 0.993 0.913 0.927 0.175 0.719 31 31
ALA A 32 0.980 0.993 32 32
ALA A 33 0.996 0.996 33 33
VAL A 34 0.997 0.998 0.999 34 34
LEU A 35 0.998 0.994 1.000 1.000 35 35
PHE A 36 0.988 0.997 0.998 0.999 36 36
GLU A 37 0.983 0.691 0.987 0.647 0.613
ASN A 38 0.703 0.661 0.991 0.298
GLY A 39 0.841 0.713
ASN A 40 0.720 0.912 0.810 0.340
TRP A 41 0.919 0.988 0.997 0.991 41 41
ASP A 42 0.988 0.994 0.595 0.134 42 42
LYS A 43 0.994 0.982 0.957 0.524 0.721 0.284 43 43
LEU A 44 0.992 0.998 0.999 0.900 44 44
VAL A 45 0.993 0.997 0.999 45 45
THR A 46 0.997 0.995 0.995 46 46
PHE A 47 0.995 0.994 0.996 0.902 47 47
ARG A 48 0.992 0.993 0.994 0.643 0.480 0.713 0.998 48 48
LEU A 49 0.996 0.998 0.996 0.868 49 49
SER A 50 0.994 0.997 0.753 50 50
GLU A 51 0.989 0.987 0.876 0.378 0.389 51 51
LEU A 52 0.996 0.979 0.998 0.998 52 52
GLU A 53 0.963 0.967 0.556 0.761 0.312 53 53
ALA A 54 0.990 0.986 54 54
VAL A 55 0.985 0.993 0.998 55 55
LYS A 56 0.669 0.974 0.238 0.614 0.729 0.430
PRO A 57 0.991 0.948 0.933 0.862 57 57
ILE A 58 0.993 0.993 0.995 0.609 58 58
LEU A 59 0.648 0.778 0.224 0.494
GLU A 60 0.732 0.589 0.220 0.533 0.431
HIS A 61 0.734 0.644 0.468 0.193
HIS A 62 0.898 0.663 0.181 0.207
HIS A 63 0.436 0.757 0.187 0.408
HIS A 64 0.680 0.577 0.322 0.353
HIS A 65 0.702 0.609 0.135 0.200
HIS A 66 0.835 0.229 0.246
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 `SGR42_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 1 is: 0.652
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 2 is: 0.743
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 3 is: 0.680
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 4 is: 0.761
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 5 is: 0.456 (*)
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 6 is: 1.466
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 7 is: 1.233
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 8 is: 0.991
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 9 is: 0.813
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 10 is: 1.517
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 11 is: 0.588
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 12 is: 0.570
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 13 is: 0.556
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 14 is: 0.567
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 15 is: 0.544
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 16 is: 0.671
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 17 is: 0.625
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 18 is: 0.619
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 19 is: 0.659
> Kabsch RMSD of backbone atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 20 is: 1.016
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[3..18],[20..27],[31..36],[41..55],[57..58], is: 0.786
> Range of RMSD values to reference struct. is 0.456 to 1.517
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 1 is: 0.934
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 2 is: 1.071
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 3 is: 1.023
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 4 is: 1.095
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 5 is: 0.993
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 6 is: 1.801
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 7 is: 1.646
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 8 is: 1.324
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 9 is: 1.046
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 10 is: 1.941
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 11 is: 0.943
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 12 is: 0.951
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 13 is: 0.915
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 14 is: 0.902
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 15 is: 0.880 (*)
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 16 is: 1.067
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 17 is: 0.931
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 18 is: 1.041
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 19 is: 0.988
> Kabsch RMSD of heavy atoms in res. A[3..18],A[20..27],A[31..36],A[41..55],A[57..58],for model 20 is: 1.290
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[3..18],[20..27],[31..36],[41..55],[57..58], is: 1.139
> Range of RMSD values to reference struct. is 0.880 to 1.941
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..66],for model 1 is: 2.872
> Kabsch RMSD of backb atoms in res. *[1..66],for model 2 is: 1.938
> Kabsch RMSD of backb atoms in res. *[1..66],for model 3 is: 2.806
> Kabsch RMSD of backb atoms in res. *[1..66],for model 4 is: 4.659
> Kabsch RMSD of backb atoms in res. *[1..66],for model 5 is: 2.029
> Kabsch RMSD of backb atoms in res. *[1..66],for model 6 is: 2.190
> Kabsch RMSD of backb atoms in res. *[1..66],for model 7 is: 2.936
> Kabsch RMSD of backb atoms in res. *[1..66],for model 8 is: 3.009
> Kabsch RMSD of backb atoms in res. *[1..66],for model 9 is: 3.664
> Kabsch RMSD of backb atoms in res. *[1..66],for model 10 is: 3.772
> Kabsch RMSD of backb atoms in res. *[1..66],for model 11 is: 1.969
> Kabsch RMSD of backb atoms in res. *[1..66],for model 12 is: 3.082
> Kabsch RMSD of backb atoms in res. *[1..66],for model 13 is: 1.436 (*)
> Kabsch RMSD of backb atoms in res. *[1..66],for model 14 is: 2.162
> Kabsch RMSD of backb atoms in res. *[1..66],for model 15 is: 2.357
> Kabsch RMSD of backb atoms in res. *[1..66],for model 16 is: 2.659
> Kabsch RMSD of backb atoms in res. *[1..66],for model 17 is: 3.367
> Kabsch RMSD of backb atoms in res. *[1..66],for model 18 is: 1.963
> Kabsch RMSD of backb atoms in res. *[1..66],for model 19 is: 1.769
> Kabsch RMSD of backb atoms in res. *[1..66],for model 20 is: 2.733
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..66], is: 2.668
> Range of RMSD values to reference struct. is 1.436 to 4.659
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 1 is: 3.372
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 2 is: 2.593
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 3 is: 3.362
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 4 is: 5.291
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 5 is: 2.842
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 6 is: 2.873
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 7 is: 3.608
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 8 is: 3.555
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 9 is: 4.393
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 10 is: 4.460
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 11 is: 2.851
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 12 is: 3.842
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 13 is: 2.080 (*)
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 14 is: 2.835
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 15 is: 3.033
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 16 is: 3.238
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 17 is: 4.009
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 18 is: 2.556
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 19 is: 2.556
> Kabsch RMSD of heavy atoms in res. *[1..66],for model 20 is: 3.282
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..66], is: 3.332
> Range of RMSD values to reference struct. is 2.080 to 5.291
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 2.7 0.5 0.5
All heavy atoms 3.3 0.9 0.9
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 >>>----------+
| |
| SGR42_NMR_em_bcr3_020.rin 0.0 900 residues |
| |
+| Ramachandran plot: 89.2% core 10.8% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 16 labelled residues (out of 900) |
+| Chi1-chi2 plots: 5 labelled residues (out of 500) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties
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
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
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
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
3 0.09
4 -0.09
5 0.20
6 -0.92
7 0.01
8 -0.01
9 -0.43
10 -1.43
11 -0.18
12 -1.05
13 -0.20
14 -0.01
15 -0.63
16 0.28
17 -2.06
18 -0.73
20 -0.48
21 -0.64
22 -0.69
23 -0.05
24 -1.22
25 -0.02
26 -1.98
27 -0.20
31 -0.82
32 -0.88
33 -1.55
34 0.06
35 -0.26
36 -0.06
41 -0.47
42 -1.02
43 -2.20
44 -0.55
45 0.38
46 -0.13
47 -2.18
48 -0.80
49 0.02
50 0.54
51 -0.65
52 -0.50
53 -0.65
54 -0.96
55 -2.22
#Reported_Model_Average -0.608
#Overall_Average_Reported -0.608
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
3 0.34
4 -0.09
5 0.20
6 -0.92
7 -0.29
8 -0.22
9 0.04
10 -0.58
11 -0.38
12 -0.46
13 -0.34
14 -0.29
15 -0.90
16 0.01
17 -0.85
18 -0.33
20 -0.17
21 0.02
22 -0.69
23 -0.35
24 -0.39
25 -0.05
26 -1.23
27 0.04
31 -0.06
32 -0.88
33 -1.55
34 0.18
35 0.03
36 0.36
41 0.01
42 -1.61
43 -1.08
44 -0.11
45 0.11
46 -0.41
47 -0.76
48 -0.29
49 0.30
50 0.11
51 -0.69
52 0.12
53 -0.53
54 -0.96
55 -1.65
#Reported_Model_Average -0.383
#Overall_Average_Reported -0.383
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
3 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -1.63 -1.63 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -1.63 -1.63 -0.84 -0.84 -1.63
4 0.64 0.44 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 0.64 0.44 0.44 0.64 0.44
5 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
6 -0.25 -0.25 -0.25 -0.25 0.49 -0.25 0.49 0.14 0.14 0.49 0.14 0.49 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14
7 0.79 0.79 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
8 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
9 0.84 0.84 0.19 0.84 0.84 0.84 0.84 0.19 0.84 0.84 0.84 0.84 0.84 0.19 0.84 0.19 0.19 0.84 0.84 0.84
10 0.71 1.18 0.71 1.18 1.18 0.71 0.71 1.18 1.18 1.18 0.71 0.71 0.71 0.71 1.18 0.71 1.18 1.18 0.71 0.71
11 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
12 0.51 0.51 -0.26 0.51 0.51 -0.26 -0.26 -0.26 0.51 0.51 -0.26 -0.26 0.51 0.51 0.51 -0.26 0.51 -0.26 0.51 0.51
13 -0.80 -0.74 -0.80 -0.74 -0.74 -0.74 -0.74 -0.80 -0.74 -0.80 -0.80 -0.80 -0.74 -0.74 -0.74 -0.80 -0.74 -0.74 -0.74 -0.74
14 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
15 0.34 0.34 0.34 0.34 0.34 0.51 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.51 0.51 0.34 0.34 0.34 0.34
16 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
17 0.52 1.14 0.52 0.52 1.14 1.14 1.14 1.14 1.14 0.52 0.52 1.14 0.52 0.52 1.14 1.25 0.52 0.52 1.14 0.52
18 -0.43 1.25 -0.43 1.25 1.25 -0.43 1.25 1.25 1.25 1.25 1.25 -0.43 1.25 1.25 1.25 1.25 1.25 -0.43 -0.43 1.25
20 -0.84 -0.84 0.71 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 0.71 -0.84
21 0.41 0.41 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
22 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
23 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33
24 1.18 1.18 0.71 1.18 0.71 1.18 1.18 0.71 1.18 0.71 0.71 1.18 0.71 1.18 0.71 0.71 0.71 0.71 1.18 1.18
25 -2.38 -2.38 -0.79 -2.38 -2.38 -2.38 -2.38 -2.38 -2.38 -2.38 -2.38 -2.38 -0.79 -2.38 -2.38 -2.38 -2.38 -2.38 -2.38 -2.38
26 -1.12 0.19 -1.12 0.19 0.19 -1.12 0.19 -1.12 0.19 0.19 -1.12 -1.12 0.19 -1.12 0.19 -1.12 0.19 0.19 0.19 0.19
27 0.08 0.08 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.71 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
31 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
32 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
33 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
34 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
35 0.14 0.14 -1.33 -1.33 -1.33 -1.33 0.14 0.14 -1.33 0.14 -1.33 -1.33 0.14 -1.33 0.14 0.14 0.14 0.14 0.14 0.14
36 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
41 -0.42 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 -0.42 1.12 1.12
42 -0.03 -0.30 -0.30 -0.30 -0.03 -0.03 -0.30 -0.03 -0.30 -0.03 -0.03 -0.30 -0.03 -0.03 -0.03 -0.03 -0.03 -0.30 -0.30 -0.30
43 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 -2.01 0.55 0.55 0.55 0.55
44 -0.81 -0.81 -1.33 -1.33 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 0.14 -0.81 -0.81
45 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.08 0.44 0.44 0.44 0.44
46 0.95 0.79 0.79 0.95 0.79 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.95 0.79 0.79 0.95 0.79
47 1.32 1.32 1.32 1.32 1.32 1.32 1.32 1.32 0.96 1.32 0.96 1.32 1.32 1.32 0.96 1.32 1.32 0.96 1.32 1.32
48 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
49 -0.68 -0.33 -0.33 1.06 0.77 -0.33 -0.33 -0.33 0.77 0.77 0.77 -0.33 -0.33 -0.33 -0.33 -0.33 0.77 0.29 -0.33 0.29
50 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
51 -0.46 -0.59 -0.46 0.28 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 0.28 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 0.28 -0.46 -0.59
52 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
53 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 -0.42 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
54 0.14 0.14 0.59 0.14 0.14 0.59 -0.52 -0.52 0.14 0.14 0.14 0.14 -0.52 -0.52 0.14 0.14 0.14 0.14 0.14 0.14
55 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.40 -0.74 -0.74 -0.74 -0.74
#Reported_Model_Average 0.194 0.311 0.242 0.319 0.336 0.219 0.296 0.215 0.278 0.343 0.271 0.210 0.323 0.213 0.326 0.193 0.305 0.261 0.325 0.300
#Overall_Average_Reported 0.274
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
3 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -1.63 -1.63 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -1.63 -1.63 -0.84 -0.84 -1.63
4 0.64 0.44 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 0.64 0.44 0.44 0.64 0.44
5 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
6 -0.25 -0.25 -0.25 -0.25 0.49 -0.25 0.49 0.14 0.14 0.49 0.14 0.49 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14
7 0.79 0.79 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
8 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
9 0.84 0.84 0.19 0.84 0.84 0.84 0.84 0.19 0.84 0.84 0.84 0.84 0.84 0.19 0.84 0.19 0.19 0.84 0.84 0.84
10 0.71 1.18 0.71 1.18 1.18 0.71 0.71 1.18 1.18 1.18 0.71 0.71 0.71 0.71 1.18 0.71 1.18 1.18 0.71 0.71
11 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
12 0.51 0.51 -0.26 0.51 0.51 -0.26 -0.26 -0.26 0.51 0.51 -0.26 -0.26 0.51 0.51 0.51 -0.26 0.51 -0.26 0.51 0.51
13 -0.80 -0.74 -0.80 -0.74 -0.74 -0.74 -0.74 -0.80 -0.74 -0.80 -0.80 -0.80 -0.74 -0.74 -0.74 -0.80 -0.74 -0.74 -0.74 -0.74
14 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
15 0.34 0.34 0.34 0.34 0.34 0.51 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.51 0.51 0.34 0.34 0.34 0.34
16 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
17 0.52 1.14 0.52 0.52 1.14 1.14 1.14 1.14 1.14 0.52 0.52 1.14 0.52 0.52 1.14 1.25 0.52 0.52 1.14 0.52
18 -0.43 1.25 -0.43 1.25 1.25 -0.43 1.25 1.25 1.25 1.25 1.25 -0.43 1.25 1.25 1.25 1.25 1.25 -0.43 -0.43 1.25
20 -0.84 -0.84 0.71 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 0.71 -0.84
21 0.41 0.41 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
22 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
23 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33
24 1.18 1.18 0.71 1.18 0.71 1.18 1.18 0.71 1.18 0.71 0.71 1.18 0.71 1.18 0.71 0.71 0.71 0.71 1.18 1.18
25 -2.38 -2.38 -0.79 -2.38 -2.38 -2.38 -2.38 -2.38 -2.38 -2.38 -2.38 -2.38 -0.79 -2.38 -2.38 -2.38 -2.38 -2.38 -2.38 -2.38
26 -1.12 0.19 -1.12 0.19 0.19 -1.12 0.19 -1.12 0.19 0.19 -1.12 -1.12 0.19 -1.12 0.19 -1.12 0.19 0.19 0.19 0.19
27 0.08 0.08 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.71 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
31 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
32 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
33 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
34 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
35 0.14 0.14 -1.33 -1.33 -1.33 -1.33 0.14 0.14 -1.33 0.14 -1.33 -1.33 0.14 -1.33 0.14 0.14 0.14 0.14 0.14 0.14
36 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
41 -0.42 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 -0.42 1.12 1.12
42 -0.03 -0.30 -0.30 -0.30 -0.03 -0.03 -0.30 -0.03 -0.30 -0.03 -0.03 -0.30 -0.03 -0.03 -0.03 -0.03 -0.03 -0.30 -0.30 -0.30
43 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 -2.01 0.55 0.55 0.55 0.55
44 -0.81 -0.81 -1.33 -1.33 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 0.14 -0.81 -0.81
45 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.08 0.44 0.44 0.44 0.44
46 0.95 0.79 0.79 0.95 0.79 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.95 0.79 0.79 0.95 0.79
47 1.32 1.32 1.32 1.32 1.32 1.32 1.32 1.32 0.96 1.32 0.96 1.32 1.32 1.32 0.96 1.32 1.32 0.96 1.32 1.32
48 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
49 -0.68 -0.33 -0.33 1.06 0.77 -0.33 -0.33 -0.33 0.77 0.77 0.77 -0.33 -0.33 -0.33 -0.33 -0.33 0.77 0.29 -0.33 0.29
50 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
51 -0.46 -0.59 -0.46 0.28 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 0.28 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 0.28 -0.46 -0.59
52 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
53 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 -0.42 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
54 0.14 0.14 0.59 0.14 0.14 0.59 -0.52 -0.52 0.14 0.14 0.14 0.14 -0.52 -0.52 0.14 0.14 0.14 0.14 0.14 0.14
55 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.40 -0.74 -0.74 -0.74 -0.74
#Reported_Model_Average 0.194 0.311 0.242 0.319 0.336 0.219 0.296 0.215 0.278 0.343 0.271 0.210 0.323 0.213 0.326 0.193 0.305 0.261 0.325 0.300
#Overall_Average_Reported 0.274
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
3.000 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
4.000 0 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1
5.000 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1
6.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
7.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
8.000 1 2 0 1 2 1 0 1 0 1 1 3 2 0 2 1 2 1 1 1
9.000 0 1 2 0 1 4 0 1 1 0 2 0 3 1 1 0 0 2 1 0
10.000 1 0 1 0 1 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0
11.000 0 0 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 0 0
12.000 0 0 0 1 0 0 2 1 3 1 3 0 0 1 1 0 0 0 1 0
13.000 0 0 0 0 0 0 0 0 1 0 3 0 0 0 0 0 1 0 0 2
14.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
15.000 0 0 0 1 0 1 1 0 2 1 3 0 0 1 0 0 0 1 1 0
16.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
17.000 1 0 0 0 1 2 0 0 1 2 1 0 1 0 0 1 0 1 1 0
18.000 0 1 2 0 0 1 1 1 1 1 7 1 1 1 1 2 1 1 1 2
20.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
21.000 0 0 2 0 1 0 0 1 1 0 0 0 2 0 0 0 0 0 1 0
22.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0
23.000 0 0 0 0 0 1 0 0 1 0 0 0 0 2 0 0 0 0 0 1
24.000 0 0 0 0 1 2 1 1 1 0 0 2 0 1 1 0 0 1 2 0
25.000 0 0 1 0 0 0 2 0 0 2 0 0 0 1 0 1 1 1 0 0
26.000 0 0 0 1 0 0 0 0 0 0 0 2 0 2 1 0 0 0 0 1
27.000 0 0 0 0 1 0 1 1 1 3 0 3 0 1 1 1 0 1 1 1
31.000 1 2 0 1 2 1 1 2 1 1 0 1 0 0 3 1 0 0 2 1
32.000 0 0 0 0 0 1 0 2 1 0 0 0 0 0 0 0 0 0 1 0
33.000 2 1 2 1 2 1 1 0 0 2 2 1 2 1 3 2 2 1 1 2
34.000 0 1 0 0 1 0 0 0 1 1 0 0 1 0 2 1 0 0 0 0
35.000 0 0 1 0 0 0 2 1 0 1 0 0 0 0 0 0 0 1 0 0
36.000 0 1 1 0 0 0 1 1 2 1 0 0 0 0 0 1 0 0 1 1
41.000 0 2 1 1 0 0 1 0 1 2 0 0 0 1 1 0 0 0 2 1
42.000 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1
43.000 0 0 0 1 1 0 1 2 0 1 0 3 0 1 0 4 1 3 4 1
44.000 1 1 3 1 1 1 0 1 0 2 1 0 1 0 1 2 2 0 0 1
45.000 0 0 1 0 1 0 1 2 0 1 0 1 0 1 0 2 1 2 1 1
46.000 1 0 1 0 1 1 2 1 0 1 1 1 1 1 2 1 1 1 2 1
47.000 1 0 0 0 0 0 1 1 2 1 0 0 0 0 0 1 0 0 0 1
48.000 5 5 1 3 5 2 1 3 2 3 4 4 2 2 4 3 1 1 2 2
49.000 0 2 0 0 1 2 2 2 2 1 2 2 0 0 1 1 1 0 3 1
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 3 1 2 4 2 2 3 2 2 1 3 2 4 2 2 1 1 1 1
52.000 1 1 1 1 3 0 2 2 0 1 2 2 2 1 2 1 2 1 3 2
53.000 0 1 0 0 0 4 0 0 0 0 2 0 1 2 1 0 0 2 0 0
54.000 0 1 0 0 0 2 1 1 0 1 0 1 0 0 1 1 0 0 0 0
55.000 2 1 1 1 2 1 2 1 3 1 2 1 4 1 1 1 1 2 1 2
#Reported_Model_Average 0.444 0.622 0.511 0.444 0.711 0.711 0.667 0.778 0.733 0.778 0.844 0.733 0.578 0.644 0.733 0.689 0.400 0.556 0.756 0.644
#Overall_Average_Reported 0.649
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 48 ARG 1HB :A 51 GLU 1HG : -0.961: 64
: 1060:A 51 GLU 1HG :A 48 ARG CB : -0.662: 64
: 1060:A 51 GLU OE2 :A 48 ARG 1HD : -0.414: 23
: 1060:A 48 ARG 1HH1 :A 48 ARG 1HD : -0.403: 13
: 1060:A 44 LEU 1HD2 :A 33 ALA 1HB : -0.834: 41
: 1060:A 33 ALA HA :A 46 THR HA : -0.555: 74
: 1060:A 58 ILE 2HD1 :A 58 ILE H : -0.820: 20
: 1060:A 58 ILE H :A 58 ILE CD1 : -0.497: 20
: 1060:A 55 VAL 2HG1 :A 56 LYS H : -0.640: 33
: 1060:A 56 LYS N :A 55 VAL 2HG1 : -0.429: 33
: 1060:A 52 LEU 3HD1 :A 8 VAL 1HG2 : -0.495: 74
: 1060:A 17 TYR O :A 10 VAL HB : -0.480: 70
: 1060:A 31 LYS 2HB :A 47 PHE O : -0.434: 53
: 1060:A 37 GLU CD :A 39 GLY H : -0.429: 50
: 1060:A 39 GLY O :A 40 ASN 1HB : -0.407: 44
#sum2 ::14.15 clashscore : 11.36 clashscore B<40
#summary::1060 atoms:528 atoms B<40:119352 potential dots:7460.0 A^2:15 bumps:6 bumps B<40:222.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 48 ARG 1HB :A 51 GLU 1HG : -0.980: 52
: 1060:A 31 LYS 1HG :A 48 ARG 2HD : -0.534: 62
: 1060:A 48 ARG CD :A 31 LYS 1HG : -0.484: 62
: 1060:A 51 GLU 1HG :A 48 ARG CB : -0.445: 52
: 1060:A 48 ARG 1HB :A 51 GLU CG : -0.435: 52
: 1060:A 49 LEU 2HD2 :A 2 ILE 2HD1 : -0.718: 71
: 1060:A 49 LEU HG :A 30 GLY O : -0.492: 12
: 1060:A 52 LEU 3HD1 :A 8 VAL 1HG2 : -0.647: 62
: 1060:A 54 ALA HA :A 8 VAL 2HG1 : -0.621: 72
: 1060:A 34 VAL CG1 :A 22 GLY 2HA : -0.585: 23
: 1060:A 55 VAL 2HG1 :A 56 LYS H : -0.555: 43
: 1060:A 44 LEU 1HD1 :A 33 ALA 1HB : -0.555: 31
: 1060:A 37 GLU HA :A 41 TRP O : -0.499: 33
: 1060:A 41 TRP H :A 39 GLY C : -0.441: 52
: 1060:A 39 GLY O :A 40 ASN 2HB : -0.411: 14
: 1060:A 36 PHE O :A 42 ASP HA : -0.457: 54
: 1060:A 19 ARG 1HB :A 18 TYR O : -0.445: 73
: 1060:A 9 ARG HE :A 53 GLU CD : -0.429: 32
#sum2 ::16.98 clashscore : 12.00 clashscore B<40
#summary::1060 atoms:500 atoms B<40:119276 potential dots:7455.0 A^2:18 bumps:6 bumps B<40:180.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 58 ILE 2HD1 :A 58 ILE H : -0.820: 73
: 1060:A 44 LEU 1HD2 :A 33 ALA 1HB : -0.657: 74
: 1060:A 33 ALA HA :A 46 THR HA : -0.504: 25
: 1060:A 44 LEU 3HD2 :A 44 LEU C : -0.411: 74
: 1060:A 45 VAL HB :A 36 PHE HE2 : -0.616: 25
: 1060:A 51 GLU OE1 :A 48 ARG 1HB : -0.568: 51
: 1060:A 10 VAL HA :A 52 LEU 3HD2 : -0.536: 74
: 1060:A 41 TRP HE3 :A 38 ASN 2HB : -0.507: 3
: 1060:A 55 VAL 2HG1 :A 56 LYS H : -0.478: 62
: 1060:A 19 ARG 2HB :A 18 TYR O : -0.472: 43
: 1060:A 16 THR C :A 18 TYR H : -0.408: 71
: 1060:A 21 GLU 1HG :A 9 ARG 2HG : -0.432: 64
: 1060:A 9 ARG 1HD :A 21 GLU OE2 : -0.422: 74
: 1060:A 35 LEU 1HB :A 25 GLN OE1 : -0.416: 72
#sum2 ::13.21 clashscore : 5.51 clashscore B<40
#summary::1060 atoms:544 atoms B<40:119278 potential dots:7455.0 A^2:14 bumps:3 bumps B<40:208.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 48 ARG 1HB :A 51 GLU 1HG : -1.058: 22
: 1060:A 51 GLU 1HG :A 48 ARG CB : -0.670: 22
: 1060:A 31 LYS HA :A 48 ARG HA : -0.450: 64
: 1060:A 26 ARG HA :A 4 PRO 2HG : -0.831: 33
: 1060:A 4 PRO 1HD :A 3 PHE 2HB : -0.414: 23
: 1060:A 58 ILE 2HD1 :A 58 ILE H : -0.824: 32
: 1060:A 58 ILE H :A 58 ILE CD1 : -0.454: 32
: 1060:A 38 ASN 2HB :A 41 TRP 2HB : -0.687: 64
: 1060:A 37 GLU O :A 38 ASN 2HB : -0.403: 13
: 1060:A 43 LYS 1HE :A 42 ASP O : -0.535: 15
: 1060:A 55 VAL 2HG1 :A 56 LYS H : -0.507: 14
: 1060:A 12 ASN ND2 :A 15 ASP 1HB : -0.492: 53
: 1060:A 44 LEU 1HD1 :A 33 ALA 1HB : -0.418: 72
: 1060:A 52 LEU 3HD1 :A 8 VAL 1HG2 : -0.406: 62
#sum2 ::13.21 clashscore : 17.27 clashscore B<40
#summary::1060 atoms:521 atoms B<40:119236 potential dots:7452.0 A^2:14 bumps:9 bumps B<40:209.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 59 LEU H :A 59 LEU 3HD2 : -0.845: 24
: 1060:A 59 LEU HG :A 59 LEU O : -0.471: 72
: 1060:A 59 LEU H :A 59 LEU CD2 : -0.416: 24
: 1060:A 58 ILE H :A 58 ILE 2HD1 : -0.784: 62
: 1060:A 21 GLU 1HG :A 9 ARG 1HB : -0.766: 34
: 1060:A 51 GLU 1HG :A 48 ARG 1HB : -0.728: 73
: 1060:A 31 LYS HA :A 48 ARG HA : -0.615: 14
: 1060:A 28 SER 1HB :A 31 LYS 1HB : -0.567: 15
: 1060:A 51 GLU CG :A 48 ARG 1HB : -0.505: 73
: 1060:A 51 GLU 1HG :A 48 ARG CB : -0.431: 73
: 1060:A 48 ARG HE :A 51 GLU CD : -0.405: 72
: 1060:A 28 SER O :A 29 ASP C : -0.400: 24
: 1060:A 52 LEU 3HD1 :A 8 VAL 1HG2 : -0.722: 15
: 1060:A 34 VAL 1HG2 :A 52 LEU 1HD2 : -0.495: 14
: 1060:A 8 VAL HB :A 52 LEU 2HB : -0.476: 54
: 1060:A 33 ALA HA :A 46 THR HA : -0.592: 30
: 1060:A 33 ALA 1HB :A 44 LEU 1HD1 : -0.471: 50
: 1060:A 56 LYS H :A 55 VAL 2HG1 : -0.586: 5
: 1060:A 55 VAL 2HG1 :A 56 LYS N : -0.446: 5
: 1060:A 1 MET 3HE :A 1 MET HA : -0.562: 53
: 1060:A 1 MET CE :A 1 MET HA : -0.469: 53
: 1060:A 49 LEU 1HD2 :A 27 VAL 3HG1 : -0.526: 42
: 1060:A 45 VAL CG2 :A 43 LYS 1HE : -0.508: 40
: 1060:A 24 VAL 1HG2 :A 2 ILE CG2 : -0.465: 40
: 1060:A 17 TYR O :A 10 VAL HB : -0.409: 73
#sum2 ::23.58 clashscore : 20.18 clashscore B<40
#summary::1060 atoms:545 atoms B<40:119337 potential dots:7459.0 A^2:25 bumps:11 bumps B<40:174.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 58 ILE H :A 58 ILE 2HD1 : -0.807: 62
: 1060:A 60 GLU H :A 59 LEU HG : -0.801: 62
: 1060:A 60 GLU N :A 59 LEU HG : -0.580: 62
: 1060:A 60 GLU H :A 59 LEU CG : -0.493: 62
: 1060:A 58 ILE H :A 58 ILE CD1 : -0.439: 62
: 1060:A 58 ILE 2HG2 :A 59 LEU N : -0.404: 5
: 1060:A 58 ILE O :A 59 LEU 2HB : -0.402: 60
: 1060:A 48 ARG 1HB :A 51 GLU 2HG : -0.755: 73
: 1060:A 48 ARG 1HB :A 51 GLU CG : -0.425: 73
: 1060:A 54 ALA HA :A 8 VAL 2HG1 : -0.733: 73
: 1060:A 2 ILE 1HG1 :A 54 ALA 2HB : -0.604: 34
: 1060:A 32 ALA 1HB :A 24 VAL 3HG1 : -0.476: 34
: 1060:A 2 ILE HB :A 49 LEU 2HD2 : -0.422: 71
: 1060:A 49 LEU HG :A 30 GLY O : -0.416: 52
: 1060:A 24 VAL 1HG2 :A 2 ILE CG2 : -0.410: 53
: 1060:A 33 ALA 1HB :A 44 LEU 1HD1 : -0.606: 31
: 1060:A 56 LYS H :A 55 VAL 2HG1 : -0.493: 75
: 1060:A 15 ASP OD2 :A 17 TYR HD2 : -0.487: 64
: 1060:A 17 TYR O :A 10 VAL HB : -0.420: 31
: 1060:A 53 GLU CG :A 9 ARG 2HB : -0.456: 32
: 1060:A 9 ARG 1HD :A 53 GLU OE2 : -0.438: 63
: 1060:A 53 GLU 2HG :A 53 GLU O : -0.421: 21
: 1060:A 9 ARG 1HH1 :A 9 ARG 1HD : -0.411: 73
: 1060:A 23 LEU 1HD2 :A 5 GLY 1HA : -0.442: 44
: 1060:A 18 TYR O :A 19 ARG 1HB : -0.441: 63
: 1060:A 31 LYS 2HB :A 46 THR 2HG2 : -0.436: 63
#sum2 ::24.53 clashscore : 12.64 clashscore B<40
#summary::1060 atoms:554 atoms B<40:119201 potential dots:7450.0 A^2:26 bumps:7 bumps B<40:183.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 55 VAL 2HG1 :A 56 LYS H : -0.750: 24
: 1060:A 55 VAL 2HG1 :A 56 LYS N : -0.434: 24
: 1060:A 33 ALA HA :A 46 THR HA : -0.611: 4
: 1060:A 31 LYS 2HB :A 46 THR 2HG2 : -0.421: 44
: 1060:A 54 ALA 2HB :A 2 ILE 1HG1 : -0.562: 32
: 1060:A 49 LEU 2HD2 :A 2 ILE 2HD1 : -0.444: 42
: 1060:A 49 LEU HG :A 30 GLY O : -0.424: 44
: 1060:A 10 VAL HA :A 52 LEU 3HD2 : -0.536: 52
: 1060:A 52 LEU 1HD1 :A 47 PHE 1HB : -0.507: 34
: 1060:A 48 ARG 1HB :A 51 GLU 2HG : -0.534: 55
: 1060:A 12 ASN ND2 :A 15 ASP 1HB : -0.502: 71
: 1060:A 51 GLU 2HB :A 12 ASN 1HB : -0.458: 31
: 1060:A 24 VAL 1HG1 :A 27 VAL 2HG2 : -0.530: 35
: 1060:A 61 HIS H :A 60 GLU CD : -0.483: 74
: 1060:A 19 ARG 1HB :A 18 TYR O : -0.483: 73
: 1060:A 43 LYS 1HD :A 41 TRP HZ2 : -0.469: 45
: 1060:A 45 VAL HB :A 36 PHE HE2 : -0.467: 62
: 1060:A 25 GLN 1HG :A 35 LEU 1HB : -0.453: 32
: 1060:A 35 LEU 1HB :A 25 GLN CG : -0.448: 32
: 1060:A 59 LEU C :A 59 LEU 3HD1 : -0.409: 63
#sum2 ::18.87 clashscore : 17.27 clashscore B<40
#summary::1060 atoms:521 atoms B<40:119208 potential dots:7450.0 A^2:20 bumps:9 bumps B<40:187 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 51 GLU 1HG :A 48 ARG 1HB : -0.898: 54
: 1060:A 51 GLU 1HB :A 12 ASN 1HB : -0.731: 14
: 1060:A 31 LYS 1HG :A 48 ARG 2HD : -0.615: 32
: 1060:A 46 THR 2HG2 :A 31 LYS 1HE : -0.508: 23
: 1060:A 48 ARG 1HB :A 51 GLU CG : -0.413: 54
: 1060:A 58 ILE H :A 58 ILE 2HD1 : -0.788: 64
: 1060:A 58 ILE H :A 58 ILE CD1 : -0.503: 64
: 1060:A 47 PHE 1HB :A 52 LEU 1HD1 : -0.743: 54
: 1060:A 10 VAL HA :A 52 LEU 3HD2 : -0.488: 73
: 1060:A 59 LEU H :A 59 LEU 3HD2 : -0.684: 75
: 1060:A 64 HIS HD2 :A 62 HIS O : -0.561: 32
: 1060:A 56 LYS H :A 55 VAL 2HG1 : -0.558: 64
: 1060:A 32 ALA 2HB :A 49 LEU 1HD2 : -0.507: 23
: 1060:A 32 ALA 1HB :A 24 VAL 3HG1 : -0.415: 75
: 1060:A 30 GLY O :A 49 LEU HG : -0.411: 43
: 1060:A 36 PHE O :A 42 ASP HA : -0.504: 74
: 1060:A 54 ALA HA :A 8 VAL 2HG1 : -0.502: 25
: 1060:A 4 PRO 2HG :A 27 VAL H : -0.460: 75
: 1060:A 43 LYS 2HG :A 45 VAL CG2 : -0.434: 41
: 1060:A 45 VAL 3HG2 :A 43 LYS 2HG : -0.428: 41
: 1060:A 21 GLU 1HG :A 9 ARG 1HB : -0.413: 4
: 1060:A 35 LEU HA :A 44 LEU HA : -0.412: 42
: 1060:A 18 TYR O :A 19 ARG 2HB : -0.403: 51
#sum2 ::21.70 clashscore : 13.01 clashscore B<40
#summary::1060 atoms:538 atoms B<40:119370 potential dots:7461.0 A^2:23 bumps:7 bumps B<40:193 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 58 ILE H :A 58 ILE 2HD1 : -0.818: 60
: 1060:A 12 ASN ND2 :A 15 ASP 1HB : -0.622: 54
: 1060:A 51 GLU OE1 :A 48 ARG 1HB : -0.577: 22
: 1060:A 31 LYS HA :A 48 ARG HA : -0.500: 71
: 1060:A 12 ASN 2HD2 :A 15 ASP 1HB : -0.467: 54
: 1060:A 12 ASN 1HB :A 51 GLU 2HG : -0.430: 45
: 1060:A 56 LYS H :A 55 VAL 2HG1 : -0.602: 32
: 1060:A 55 VAL 2HG1 :A 56 LYS N : -0.536: 32
: 1060:A 56 LYS H :A 55 VAL CG1 : -0.425: 32
: 1060:A 49 LEU 1HD2 :A 27 VAL 3HG1 : -0.584: 63
: 1060:A 49 LEU HG :A 30 GLY O : -0.417: 72
: 1060:A 61 HIS HD2 :A 59 LEU 3HD1 : -0.577: 64
: 1060:A 59 LEU 3HD1 :A 61 HIS CD2 : -0.527: 64
: 1060:A 18 TYR CD1 :A 13 VAL HA : -0.533: 34
: 1060:A 36 PHE CE2 :A 47 PHE HE2 : -0.472: 50
: 1060:A 47 PHE HE2 :A 36 PHE HE2 : -0.417: 50
: 1060:A 40 ASN 2HB :A 39 GLY O : -0.470: 41
: 1060:A 41 TRP H :A 39 GLY C : -0.435: 51
: 1060:A 21 GLU 1HG :A 9 ARG 2HG : -0.459: 72
: 1060:A 17 TYR O :A 10 VAL HB : -0.451: 14
: 1060:A 23 LEU O :A 34 VAL HA : -0.434: 55
: 1060:A 4 PRO 2HD :A 3 PHE HA : -0.412: 74
: 1060:A 32 ALA 1HB :A 24 VAL 3HG1 : -0.409: 52
#sum2 ::21.70 clashscore : 11.34 clashscore B<40
#summary::1060 atoms:529 atoms B<40:119332 potential dots:7458.0 A^2:23 bumps:6 bumps B<40:223.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 51 GLU 1HG :A 48 ARG 1HB : -0.814: 34
: 1060:A 31 LYS HA :A 48 ARG HA : -0.696: 42
: 1060:A 48 ARG 1HB :A 51 GLU CG : -0.453: 34
: 1060:A 34 VAL 1HG2 :A 52 LEU 1HD2 : -0.659: 54
: 1060:A 33 ALA HA :A 46 THR HA : -0.656: 31
: 1060:A 33 ALA 1HB :A 44 LEU 1HD1 : -0.525: 62
: 1060:A 44 LEU 3HD1 :A 25 GLN 2HG : -0.440: 14
: 1060:A 35 LEU 1HB :A 25 GLN CG : -0.412: 32
: 1060:A 27 VAL 2HG1 :A 29 ASP H : -0.644: 50
: 1060:A 27 VAL 1HG2 :A 2 ILE O : -0.461: 73
: 1060:A 49 LEU 1HD2 :A 27 VAL 3HG1 : -0.434: 50
: 1060:A 55 VAL O :A 56 LYS 1HG : -0.553: 52
: 1060:A 59 LEU 1HD1 :A 56 LYS 1HE : -0.553: 73
: 1060:A 36 PHE HE2 :A 45 VAL HB : -0.524: 70
: 1060:A 12 ASN ND2 :A 15 ASP 1HB : -0.515: 74
: 1060:A 38 ASN 2HB :A 41 TRP HE3 : -0.503: 11
: 1060:A 41 TRP HZ2 :A 43 LYS 1HD : -0.486: 40
: 1060:A 47 PHE HZ :A 17 TYR CD1 : -0.480: 65
: 1060:A 17 TYR O :A 10 VAL HB : -0.432: 61
: 1060:A 18 TYR O :A 19 ARG 1HB : -0.472: 63
: 1060:A 54 ALA HA :A 8 VAL 2HG1 : -0.407: 44
#sum2 ::19.81 clashscore : 12.68 clashscore B<40
#summary::1060 atoms:473 atoms B<40:119357 potential dots:7460.0 A^2:21 bumps:6 bumps B<40:200.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 18 TYR CD1 :A 19 ARG 2HG : -0.688: 40
: 1060:A 18 TYR HD1 :A 19 ARG 2HG : -0.569: 40
: 1060:A 13 VAL HA :A 18 TYR CE2 : -0.532: 43
: 1060:A 18 TYR CD2 :A 13 VAL HA : -0.523: 43
: 1060:A 13 VAL 2HG2 :A 18 TYR HE2 : -0.503: 52
: 1060:A 18 TYR O :A 19 ARG 1HB : -0.497: 74
: 1060:A 18 TYR CE1 :A 19 ARG 2HG : -0.467: 13
: 1060:A 2 ILE 2HD1 :A 49 LEU 2HD2 : -0.595: 45
: 1060:A 49 LEU HG :A 30 GLY O : -0.535: 64
: 1060:A 1 MET O :A 2 ILE HB : -0.433: 51
: 1060:A 15 ASP 1HB :A 12 ASN 2HB : -0.591: 51
: 1060:A 15 ASP 1HB :A 12 ASN CB : -0.458: 51
: 1060:A 12 ASN ND2 :A 15 ASP 1HB : -0.404: 51
: 1060:A 56 LYS H :A 55 VAL 2HG1 : -0.584: 65
: 1060:A 55 VAL 2HG1 :A 56 LYS N : -0.450: 65
: 1060:A 33 ALA 1HB :A 44 LEU 1HD1 : -0.519: 5
: 1060:A 33 ALA HA :A 46 THR HA : -0.472: 45
: 1060:A 52 LEU 3HD1 :A 8 VAL 1HG2 : -0.506: 73
: 1060:A 51 GLU 1HG :A 48 ARG 2HD : -0.435: 42
: 1060:A 48 ARG O :A 52 LEU HG : -0.431: 14
: 1060:A 48 ARG 1HD :A 48 ARG N : -0.404: 42
: 1060:A 53 GLU OE2 :A 9 ARG 2HD : -0.501: 20
: 1060:A 9 ARG 2HB :A 53 GLU 2HB : -0.411: 14
: 1060:A 17 TYR O :A 10 VAL HB : -0.454: 60
: 1060:A 59 LEU N :A 58 ILE 2HG2 : -0.418: 54
#sum2 ::23.58 clashscore : 8.29 clashscore B<40
#summary::1060 atoms:603 atoms B<40:119334 potential dots:7458.0 A^2:25 bumps:5 bumps B<40:210.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 48 ARG 1HB :A 51 GLU 1HG : -1.072: 51
: 1060:A 48 ARG 1HB :A 51 GLU CG : -0.694: 51
: 1060:A 31 LYS HA :A 48 ARG HA : -0.652: 42
: 1060:A 51 GLU 1HG :A 48 ARG CB : -0.431: 51
: 1060:A 54 ALA HA :A 8 VAL 2HG1 : -0.817: 21
: 1060:A 52 LEU 3HD1 :A 8 VAL 1HG2 : -0.603: 71
: 1060:A 8 VAL HB :A 52 LEU 2HB : -0.408: 73
: 1060:A 58 ILE 2HD1 :A 58 ILE H : -0.788: 42
: 1060:A 58 ILE H :A 58 ILE CD1 : -0.434: 42
: 1060:A 45 VAL 3HG2 :A 43 LYS 2HG : -0.617: 74
: 1060:A 43 LYS 1HD :A 43 LYS HA : -0.409: 53
: 1060:A 33 ALA HA :A 46 THR HA : -0.546: 55
: 1060:A 19 ARG 2HB :A 18 TYR O : -0.527: 20
: 1060:A 24 VAL 1HG1 :A 27 VAL 2HG2 : -0.526: 43
: 1060:A 27 VAL 3HG1 :A 49 LEU 1HD2 : -0.514: 53
: 1060:A 49 LEU 2HD2 :A 2 ILE 2HD1 : -0.471: 74
: 1060:A 2 ILE 1HG2 :A 24 VAL 1HG2 : -0.408: 65
: 1060:A 27 VAL 1HG2 :A 2 ILE O : -0.401: 43
: 1060:A 55 VAL 2HG1 :A 56 LYS H : -0.507: 45
: 1060:A 59 LEU O :A 59 LEU 2HD1 : -0.430: 62
: 1060:A 11 THR 2HG2 :A 11 THR O : -0.408: 55
: 1060:A 26 ARG 1HH1 :A 26 ARG 2HD : -0.403: 34
#sum2 ::20.75 clashscore : 5.63 clashscore B<40
#summary::1060 atoms:533 atoms B<40:119208 potential dots:7450.0 A^2:22 bumps:3 bumps B<40:175.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 33 ALA HA :A 46 THR HA : -0.725: 51
: 1060:A 44 LEU 1HD1 :A 33 ALA 1HB : -0.401: 34
: 1060:A 21 GLU 1HG :A 9 ARG 2HG : -0.653: 50
: 1060:A 53 GLU CG :A 9 ARG 2HB : -0.475: 31
: 1060:A 21 GLU 1HG :A 9 ARG CG : -0.448: 50
: 1060:A 58 ILE 2HD1 :A 58 ILE H : -0.631: 34
: 1060:A 58 ILE 2HD1 :A 58 ILE N : -0.418: 34
: 1060:A 55 VAL 2HG1 :A 56 LYS H : -0.620: 52
: 1060:A 52 LEU 3HD1 :A 8 VAL 1HG2 : -0.584: 62
: 1060:A 56 LYS N :A 55 VAL 2HG1 : -0.512: 52
: 1060:A 52 LEU 1HD2 :A 34 VAL 1HG2 : -0.460: 74
: 1060:A 55 VAL 3HG2 :A 8 VAL HA : -0.417: 73
: 1060:A 56 LYS H :A 55 VAL CG1 : -0.415: 52
: 1060:A 17 TYR O :A 10 VAL HB : -0.512: 60
: 1060:A 48 ARG 2HD :A 51 GLU OE2 : -0.501: 44
: 1060:A 51 GLU 1HB :A 48 ARG O : -0.407: 34
: 1060:A 19 ARG 1HB :A 18 TYR O : -0.483: 64
: 1060:A 19 ARG 1HH1 :A 19 ARG 1HD : -0.405: 72
: 1060:A 60 GLU O :A 60 GLU 1HG : -0.404: 62
#sum2 ::17.92 clashscore : 9.49 clashscore B<40
#summary::1060 atoms:527 atoms B<40:119163 potential dots:7448.0 A^2:19 bumps:5 bumps B<40:217.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 48 ARG 1HB :A 51 GLU 1HG : -0.859: 22
: 1060:A 48 ARG 1HB :A 51 GLU CG : -0.532: 22
: 1060:A 51 GLU OE1 :A 51 GLU HA : -0.416: 50
: 1060:A 58 ILE 2HD1 :A 58 ILE H : -0.700: 63
: 1060:A 58 ILE H :A 58 ILE CD1 : -0.499: 63
: 1060:A 45 VAL 2HG2 :A 43 LYS 1HE : -0.605: 30
: 1060:A 53 GLU OE2 :A 9 ARG 2HB : -0.589: 74
: 1060:A 11 THR OG1 :A 53 GLU 2HG : -0.419: 54
: 1060:A 24 VAL 1HG1 :A 27 VAL 2HG2 : -0.557: 23
: 1060:A 12 ASN ND2 :A 15 ASP 1HB : -0.537: 21
: 1060:A 10 VAL HA :A 52 LEU 3HD2 : -0.520: 63
: 1060:A 23 LEU 1HD2 :A 5 GLY 1HA : -0.510: 20
: 1060:A 25 GLN NE2 :A 23 LEU 2HD2 : -0.422: 23
: 1060:A 55 VAL 2HG1 :A 56 LYS H : -0.505: 53
: 1060:A 33 ALA HA :A 46 THR HA : -0.445: 73
: 1060:A 38 ASN 2HB :A 41 TRP 2HB : -0.442: 32
: 1060:A 26 ARG 1HH1 :A 26 ARG 1HD : -0.420: 74
: 1060:A 19 ARG 1HB :A 18 TYR O : -0.412: 51
: 1060:A 28 SER C :A 30 GLY H : -0.406: 12
#sum2 ::17.92 clashscore : 15.46 clashscore B<40
#summary::1060 atoms:582 atoms B<40:119245 potential dots:7453.0 A^2:19 bumps:9 bumps B<40:214.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 2 ILE 2HD1 :A 49 LEU 2HD2 : -0.760: 64
: 1060:A 33 ALA HA :A 46 THR HA : -0.649: 72
: 1060:A 12 ASN 1HB :A 51 GLU 2HG : -0.609: 61
: 1060:A 31 LYS HA :A 48 ARG HA : -0.560: 60
: 1060:A 51 GLU OE1 :A 48 ARG 1HB : -0.557: 15
: 1060:A 46 THR 2HG2 :A 31 LYS 1HG : -0.554: 53
: 1060:A 31 LYS 2HB :A 28 SER 1HB : -0.538: 50
: 1060:A 33 ALA 3HB :A 26 ARG 1HD : -0.467: 35
: 1060:A 33 ALA 1HB :A 44 LEU 1HD1 : -0.425: 35
: 1060:A 48 ARG 2HD :A 48 ARG N : -0.413: 54
: 1060:A 63 HIS 1HB :A 62 HIS O : -0.516: 63
: 1060:A 56 LYS H :A 55 VAL 2HG1 : -0.502: 72
: 1060:A 22 GLY 2HA :A 34 VAL CG1 : -0.499: 62
: 1060:A 34 VAL 1HG2 :A 52 LEU 1HD2 : -0.492: 41
: 1060:A 52 LEU 3HD1 :A 8 VAL 1HG2 : -0.453: 5
: 1060:A 54 ALA HA :A 8 VAL 2HG1 : -0.450: 33
: 1060:A 53 GLU CG :A 9 ARG 2HB : -0.469: 73
: 1060:A 18 TYR O :A 19 ARG 1HB : -0.469: 23
: 1060:A 24 VAL 1HG1 :A 27 VAL 2HG2 : -0.452: 55
: 1060:A 38 ASN 2HB :A 41 TRP HE3 : -0.437: 50
: 1060:A 58 ILE 2HG2 :A 59 LEU H : -0.411: 74
: 1060:A 64 HIS O :A 65 HIS 2HB : -0.400: 25
#sum2 ::20.75 clashscore : 14.06 clashscore B<40
#summary::1060 atoms:498 atoms B<40:119289 potential dots:7456.0 A^2:22 bumps:7 bumps B<40:175.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 60 GLU H :A 59 LEU HG : -0.880: 74
: 1060:A 59 LEU HG :A 60 GLU N : -0.532: 74
: 1060:A 60 GLU H :A 59 LEU CG : -0.520: 74
: 1060:A 58 ILE N :A 58 ILE 2HD1 : -0.495: 72
: 1060:A 59 LEU N :A 58 ILE 2HG2 : -0.469: 63
: 1060:A 58 ILE H :A 58 ILE 2HD1 : -0.465: 72
: 1060:A 56 LYS H :A 55 VAL 2HG1 : -0.825: 64
: 1060:A 36 PHE 1HB :A 43 LYS 2HB : -0.684: 50
: 1060:A 43 LYS 1HG :A 45 VAL 3HG2 : -0.542: 31
: 1060:A 45 VAL 1HG2 :A 43 LYS 2HE : -0.480: 54
: 1060:A 17 TYR CZ :A 43 LYS 1HE : -0.405: 54
: 1060:A 51 GLU 1HG :A 48 ARG 1HB : -0.618: 42
: 1060:A 51 GLU CG :A 48 ARG 1HB : -0.450: 42
: 1060:A 31 LYS HA :A 48 ARG HA : -0.423: 33
: 1060:A 18 TYR O :A 19 ARG 1HB : -0.496: 44
: 1060:A 19 ARG 2HG :A 18 TYR CD2 : -0.432: 51
: 1060:A 33 ALA 1HB :A 44 LEU 1HD1 : -0.483: 42
: 1060:A 44 LEU 3HD1 :A 25 GLN 2HG : -0.449: 42
: 1060:A 33 ALA HA :A 46 THR HA : -0.433: 62
: 1060:A 2 ILE 2HD1 :A 49 LEU 2HD2 : -0.477: 75
: 1060:A 27 VAL 1HG2 :A 2 ILE O : -0.433: 73
: 1060:A 22 GLY 2HA :A 34 VAL CG1 : -0.415: 73
: 1060:A 54 ALA HA :A 8 VAL 2HG1 : -0.414: 63
: 1060:A 47 PHE 1HB :A 52 LEU 1HD1 : -0.409: 22
#sum2 ::22.64 clashscore : 5.47 clashscore B<40
#summary::1060 atoms:548 atoms B<40:119301 potential dots:7456.0 A^2:24 bumps:3 bumps B<40:197.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 48 ARG 1HB :A 51 GLU 1HG : -0.867: 64
: 1060:A 49 LEU 2HD2 :A 2 ILE 2HD1 : -0.690: 52
: 1060:A 52 LEU 3HD1 :A 8 VAL 1HG2 : -0.658: 74
: 1060:A 8 VAL HB :A 52 LEU 2HB : -0.560: 52
: 1060:A 44 LEU 1HD1 :A 33 ALA 1HB : -0.585: 44
: 1060:A 33 ALA HA :A 46 THR HA : -0.544: 51
: 1060:A 44 LEU 3HD1 :A 25 GLN 2HG : -0.458: 40
: 1060:A 18 TYR CD1 :A 13 VAL HA : -0.486: 45
: 1060:A 55 VAL 2HG1 :A 56 LYS H : -0.450: 61
: 1060:A 45 VAL 3HG2 :A 43 LYS 2HG : -0.450: 51
: 1060:A 57 PRO 1HD :A 56 LYS HA : -0.431: 52
#sum2 ::10.38 clashscore : 0.00 clashscore B<40
#summary::1060 atoms:502 atoms B<40:119252 potential dots:7453.0 A^2:11 bumps:0 bumps B<40:243.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 48 ARG 1HB :A 51 GLU 1HG : -0.966: 64
: 1060:A 63 HIS 1HB :A 60 GLU 2HB : -0.681: 50
: 1060:A 43 LYS 1HD :A 45 VAL CG2 : -0.617: 73
: 1060:A 17 TYR OH :A 43 LYS 2HG : -0.544: 61
: 1060:A 45 VAL 2HG2 :A 43 LYS 1HD : -0.492: 73
: 1060:A 9 ARG 2HB :A 53 GLU 2HG : -0.590: 3
: 1060:A 53 GLU CG :A 9 ARG 2HB : -0.582: 3
: 1060:A 18 TYR O :A 19 ARG 1HG : -0.543: 60
: 1060:A 56 LYS 1HD :A 56 LYS N : -0.533: 72
: 1060:A 55 VAL 2HG1 :A 56 LYS H : -0.528: 62
: 1060:A 55 VAL 2HG1 :A 56 LYS N : -0.410: 62
: 1060:A 33 ALA HA :A 46 THR HA : -0.484: 46
: 1060:A 25 GLN 1HG :A 35 LEU 1HB : -0.472: 61
: 1060:A 52 LEU 3HD1 :A 8 VAL 1HG2 : -0.436: 70
: 1060:A 24 VAL 1HG1 :A 27 VAL 2HG2 : -0.431: 51
: 1060:A 16 THR H :A 15 ASP CG : -0.417: 72
#sum2 ::15.09 clashscore : 3.64 clashscore B<40
#summary::1060 atoms:549 atoms B<40:119264 potential dots:7454.0 A^2:16 bumps:2 bumps B<40:238.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 48 ARG 1HB :A 51 GLU 2HG : -0.869: 63
: 1060:A 31 LYS HA :A 48 ARG HA : -0.475: 42
: 1060:A 33 ALA HA :A 46 THR HA : -0.465: 54
: 1060:A 46 THR 2HG2 :A 31 LYS 1HG : -0.425: 51
: 1060:A 2 ILE HB :A 49 LEU 2HD2 : -0.729: 72
: 1060:A 49 LEU HA :A 2 ILE 2HD1 : -0.637: 53
: 1060:A 24 VAL 1HG2 :A 2 ILE CG2 : -0.629: 45
: 1060:A 52 LEU 1HB :A 2 ILE 1HD1 : -0.593: 53
: 1060:A 24 VAL 1HG2 :A 2 ILE 1HG2 : -0.450: 45
: 1060:A 2 ILE CD1 :A 52 LEU 1HB : -0.445: 53
: 1060:A 52 LEU 3HD1 :A 8 VAL 1HG2 : -0.441: 73
: 1060:A 32 ALA 2HB :A 49 LEU 1HD2 : -0.410: 35
: 1060:A 59 LEU H :A 59 LEU 3HD2 : -0.703: 34
: 1060:A 59 LEU 3HD2 :A 59 LEU N : -0.406: 34
: 1060:A 36 PHE 1HB :A 43 LYS 2HB : -0.699: 43
: 1060:A 43 LYS 1HE :A 17 TYR OH : -0.502: 43
: 1060:A 41 TRP CZ2 :A 43 LYS 1HB : -0.479: 32
: 1060:A 41 TRP O :A 37 GLU HA : -0.436: 73
: 1060:A 45 VAL 3HG2 :A 43 LYS 2HG : -0.431: 44
: 1060:A 60 GLU CD :A 60 GLU H : -0.526: 52
: 1060:A 9 ARG 2HD :A 21 GLU OE2 : -0.525: 53
: 1060:A 56 LYS H :A 55 VAL 2HG1 : -0.518: 45
: 1060:A 56 LYS 1HD :A 56 LYS HA : -0.415: 3
: 1060:A 27 VAL 2HG1 :A 29 ASP H : -0.502: 63
: 1060:A 12 ASN ND2 :A 15 ASP 1HB : -0.468: 63
: 1060:A 18 TYR O :A 19 ARG 2HB : -0.432: 52
#sum2 ::24.53 clashscore : 10.35 clashscore B<40
#summary::1060 atoms:483 atoms B<40:119205 potential dots:7450.0 A^2:26 bumps:5 bumps B<40:156.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1060:A 44 LEU 1HD1 :A 33 ALA 1HB : -0.745: 71
: 1060:A 33 ALA HA :A 46 THR HA : -0.614: 42
: 1060:A 48 ARG 1HB :A 51 GLU 1HG : -0.740: 41
: 1060:A 31 LYS HA :A 48 ARG HA : -0.440: 65
: 1060:A 26 ARG HA :A 4 PRO 2HB : -0.657: 24
: 1060:A 27 VAL 3HG1 :A 49 LEU 1HD2 : -0.624: 62
: 1060:A 23 LEU 1HD2 :A 5 GLY 1HA : -0.584: 4
: 1060:A 55 VAL 2HG1 :A 56 LYS H : -0.530: 32
: 1060:A 55 VAL 2HG1 :A 56 LYS N : -0.408: 32
: 1060:A 18 TYR CG :A 13 VAL HA : -0.491: 2
: 1060:A 18 TYR CD1 :A 13 VAL HA : -0.447: 64
: 1060:A 52 LEU 1HD1 :A 47 PHE 1HB : -0.487: 52
: 1060:A 52 LEU 3HD1 :A 8 VAL 1HG2 : -0.482: 22
: 1060:A 36 PHE O :A 42 ASP HA : -0.468: 22
: 1060:A 45 VAL 3HG2 :A 43 LYS 2HG : -0.439: 73
: 1060:A 41 TRP O :A 37 GLU HA : -0.402: 73
#sum2 ::15.09 clashscore : 12.54 clashscore B<40
#summary::1060 atoms:558 atoms B<40:119322 potential dots:7458.0 A^2:16 bumps:7 bumps B<40:199.6 score
Output from PDB validation software
Summary from PDB validation
May. 10, 21:25:21 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 1HB ARG 48 - A 1HG GLU 51 4 Dist = 1.21
A 1HB ARG 48 - A 1HG GLU 51 12 Dist = 1.29
A 1HB ARG 48 - A 1HG GLU 51 18 Dist = 1.35
A 1HB ARG 48 - A 1HG GLU 51 2 Dist = 1.37
A 1HB ARG 48 - A 1HG GLU 51 1 Dist = 1.39
A 1HB ARG 48 - A 1HG GLU 51 8 Dist = 1.46
A 1HB ARG 48 - A 2HG GLU 51 19 Dist = 1.47
A 1HB ARG 48 - A 1HG GLU 51 14 Dist = 1.50
A 1HB ARG 48 - A 1HG GLU 51 17 Dist = 1.50
A 2HG PRO 4 - A HA ARG 26 4 Dist = 1.50
A HH TYR 17 - A 2HD LYS 43 1 Dist = 1.50
A 3HB ALA 33 - A 1HD2 LEU 44 1 Dist = 1.51
A 2HG1 VAL 8 - A HA ALA 54 12 Dist = 1.52
A 1HB ARG 48 - A 1HG GLU 51 10 Dist = 1.55
A 2HG1 VAL 27 - A H ASP 29 10 Dist = 1.56
A HE2 PHE 36 - A HB VAL 45 3 Dist = 1.56
A 1HD1 ILE 2 - A 1HD2 LEU 49 15 Dist = 1.58
A 1HB ARG 48 - A 2HG GLU 51 6 Dist = 1.59
A HE2 PHE 36 - A HE2 PHE 47 9 Dist = 1.60
A 1HB ARG 9 - A 1HG GLU 21 5 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 0.005 Angstroms
The following table contains a list of the covalent bonds
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 Bond Dictionary
Name ID Number Distance Value
------------------------------------------------------------------------
-0.029 GLY A 30 2 C - N 1.300 1.329
-0.037 TRP A 41 20 C - N 1.292 1.329
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.6 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-4.0 LEU A 59 14 N - CA - C 107.2 111.2
-3.9 ASN A 40 20 CA - C - N 112.3 116.2
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A ASN 12 1HD2
1 A ASN 12 2HD2
1 A GLN 25 1HE2
1 A GLN 25 2HE2
1 A ASN 38 1HD2
1 A ASN 38 2HD2
1 A ASN 40 1HD2
1 A ASN 40 2HD2
2 A ASN 12 1HD2
2 A ASN 12 2HD2
2 A GLN 25 1HE2
2 A GLN 25 2HE2
2 A ASN 38 1HD2
2 A ASN 38 2HD2
2 A ASN 40 1HD2
2 A ASN 40 2HD2
3 A ASN 12 1HD2
3 A ASN 12 2HD2
3 A GLN 25 1HE2
3 A GLN 25 2HE2
3 A ASN 38 1HD2
3 A ASN 38 2HD2
3 A ASN 40 1HD2
3 A ASN 40 2HD2
4 A ASN 12 1HD2
4 A ASN 12 2HD2
4 A GLN 25 1HE2
4 A GLN 25 2HE2
4 A ASN 38 1HD2
4 A ASN 38 2HD2
4 A ASN 40 1HD2
4 A ASN 40 2HD2
5 A ASN 12 1HD2
5 A ASN 12 2HD2
5 A GLN 25 1HE2
5 A GLN 25 2HE2
5 A ASN 38 1HD2
5 A ASN 38 2HD2
5 A ASN 40 1HD2
5 A ASN 40 2HD2
6 A ASN 12 1HD2
6 A ASN 12 2HD2
6 A GLN 25 1HE2
6 A GLN 25 2HE2
6 A ASN 38 1HD2
6 A ASN 38 2HD2
6 A ASN 40 1HD2
6 A ASN 40 2HD2
7 A ASN 12 1HD2
7 A ASN 12 2HD2
7 A GLN 25 1HE2
7 A GLN 25 2HE2
7 A ASN 38 1HD2
7 A ASN 38 2HD2
7 A ASN 40 1HD2
7 A ASN 40 2HD2
8 A ASN 12 1HD2
8 A ASN 12 2HD2
8 A GLN 25 1HE2
8 A GLN 25 2HE2
8 A ASN 38 1HD2
8 A ASN 38 2HD2
8 A ASN 40 1HD2
8 A ASN 40 2HD2
9 A ASN 12 1HD2
9 A ASN 12 2HD2
9 A GLN 25 1HE2
9 A GLN 25 2HE2
9 A ASN 38 1HD2
9 A ASN 38 2HD2
9 A ASN 40 1HD2
9 A ASN 40 2HD2
10 A ASN 12 1HD2
10 A ASN 12 2HD2
10 A GLN 25 1HE2
10 A GLN 25 2HE2
10 A ASN 38 1HD2
10 A ASN 38 2HD2
10 A ASN 40 1HD2
10 A ASN 40 2HD2
11 A ASN 12 1HD2
11 A ASN 12 2HD2
11 A GLN 25 1HE2
11 A GLN 25 2HE2
11 A ASN 38 1HD2
11 A ASN 38 2HD2
11 A ASN 40 1HD2
11 A ASN 40 2HD2
12 A ASN 12 1HD2
12 A ASN 12 2HD2
12 A GLN 25 1HE2
12 A GLN 25 2HE2
12 A ASN 38 1HD2
12 A ASN 38 2HD2
12 A ASN 40 1HD2
12 A ASN 40 2HD2
13 A ASN 12 1HD2
13 A ASN 12 2HD2
13 A GLN 25 1HE2
13 A GLN 25 2HE2
13 A ASN 38 1HD2
13 A ASN 38 2HD2
13 A ASN 40 1HD2
13 A ASN 40 2HD2
14 A ASN 12 1HD2
14 A ASN 12 2HD2
14 A GLN 25 1HE2
14 A GLN 25 2HE2
14 A ASN 38 1HD2
14 A ASN 38 2HD2
14 A ASN 40 1HD2
14 A ASN 40 2HD2
15 A ASN 12 1HD2
15 A ASN 12 2HD2
15 A GLN 25 1HE2
15 A GLN 25 2HE2
15 A ASN 38 1HD2
15 A ASN 38 2HD2
15 A ASN 40 1HD2
15 A ASN 40 2HD2
16 A ASN 12 1HD2
16 A ASN 12 2HD2
16 A GLN 25 1HE2
16 A GLN 25 2HE2
16 A ASN 38 1HD2
16 A ASN 38 2HD2
16 A ASN 40 1HD2
16 A ASN 40 2HD2
17 A ASN 12 1HD2
17 A ASN 12 2HD2
17 A GLN 25 1HE2
17 A GLN 25 2HE2
17 A ASN 38 1HD2
17 A ASN 38 2HD2
17 A ASN 40 1HD2
17 A ASN 40 2HD2
18 A ASN 12 1HD2
18 A ASN 12 2HD2
18 A GLN 25 1HE2
18 A GLN 25 2HE2
18 A ASN 38 1HD2
18 A ASN 38 2HD2
18 A ASN 40 1HD2
18 A ASN 40 2HD2
19 A ASN 12 1HD2
19 A ASN 12 2HD2
19 A GLN 25 1HE2
19 A GLN 25 2HE2
19 A ASN 38 1HD2
19 A ASN 38 2HD2
19 A ASN 40 1HD2
19 A ASN 40 2HD2
20 A ASN 12 1HD2
20 A ASN 12 2HD2
20 A GLN 25 1HE2
20 A GLN 25 2HE2
20 A ASN 38 1HD2
20 A ASN 38 2HD2
20 A ASN 40 1HD2
20 A ASN 40 2HD2
OTHER IMPORTANT ISSUES
==> The following residues are missing:
(Note: The SEQ number starts from 1 for each chain according to SEQRES
sequence record.)
RES MOD#C SEQ
MET( 1 A -65 )
ILE( 1 A -64 )
PHE( 1 A -63 )
PRO( 1 A -62 )
GLY( 1 A -61 )
ALA( 1 A -60 )
THR( 1 A -59 )
VAL( 1 A -58 )
ARG( 1 A -57 )
VAL( 1 A -56 )
THR( 1 A -55 )
ASN( 1 A -54 )
VAL( 1 A -53 )
ASP( 1 A -52 )
ASP( 1 A -51 )
THR( 1 A -50 )
TYR( 1 A -49 )
TYR( 1 A -48 )
ARG( 1 A -47 )
PHE( 1 A -46 )
GLU( 1 A -45 )
GLY( 1 A -44 )
LEU( 1 A -43 )
VAL( 1 A -42 )
GLN( 1 A -41 )
ARG( 1 A -40 )
VAL( 1 A -39 )
SER( 1 A -38 )
ASP( 1 A -37 )
GLY( 1 A -36 )
LYS( 1 A -35 )
ALA( 1 A -34 )
ALA( 1 A -33 )
VAL( 1 A -32 )
LEU( 1 A -31 )
PHE( 1 A -30 )
GLU( 1 A -29 )
ASN( 1 A -28 )
GLY( 1 A -27 )
ASN( 1 A -26 )
TRP( 1 A -25 )
ASP( 1 A -24 )
LYS( 1 A -23 )
LEU( 1 A -22 )
VAL( 1 A -21 )
THR( 1 A -20 )
PHE( 1 A -19 )
ARG( 1 A -18 )
LEU( 1 A -17 )
SER( 1 A -16 )
GLU( 1 A -15 )
LEU( 1 A -14 )
GLU( 1 A -13 )
ALA( 1 A -12 )
VAL( 1 A -11 )
LYS( 1 A -10 )
PRO( 1 A -9 )
ILE( 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 )
MET( 2 A -65 )
ILE( 2 A -64 )
PHE( 2 A -63 )
PRO( 2 A -62 )
GLY( 2 A -61 )
ALA( 2 A -60 )
THR( 2 A -59 )
VAL( 2 A -58 )
ARG( 2 A -57 )
VAL( 2 A -56 )
THR( 2 A -55 )
ASN( 2 A -54 )
VAL( 2 A -53 )
ASP( 2 A -52 )
ASP( 2 A -51 )
THR( 2 A -50 )
TYR( 2 A -49 )
TYR( 2 A -48 )
ARG( 2 A -47 )
PHE( 2 A -46 )
GLU( 2 A -45 )
GLY( 2 A -44 )
LEU( 2 A -43 )
VAL( 2 A -42 )
GLN( 2 A -41 )
ARG( 2 A -40 )
VAL( 2 A -39 )
SER( 2 A -38 )
ASP( 2 A -37 )
GLY( 2 A -36 )
LYS( 2 A -35 )
ALA( 2 A -34 )
ALA( 2 A -33 )
VAL( 2 A -32 )
LEU( 2 A -31 )
PHE( 2 A -30 )
GLU( 2 A -29 )
ASN( 2 A -28 )
GLY( 2 A -27 )
ASN( 2 A -26 )
TRP( 2 A -25 )
ASP( 2 A -24 )
LYS( 2 A -23 )
LEU( 2 A -22 )
VAL( 2 A -21 )
THR( 2 A -20 )
PHE( 2 A -19 )
ARG( 2 A -18 )
LEU( 2 A -17 )
SER( 2 A -16 )
GLU( 2 A -15 )
LEU( 2 A -14 )
GLU( 2 A -13 )
ALA( 2 A -12 )
VAL( 2 A -11 )
LYS( 2 A -10 )
PRO( 2 A -9 )
ILE( 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 )
MET( 3 A -65 )
ILE( 3 A -64 )
PHE( 3 A -63 )
PRO( 3 A -62 )
GLY( 3 A -61 )
ALA( 3 A -60 )
THR( 3 A -59 )
VAL( 3 A -58 )
ARG( 3 A -57 )
VAL( 3 A -56 )
THR( 3 A -55 )
ASN( 3 A -54 )
VAL( 3 A -53 )
ASP( 3 A -52 )
ASP( 3 A -51 )
THR( 3 A -50 )
TYR( 3 A -49 )
TYR( 3 A -48 )
ARG( 3 A -47 )
PHE( 3 A -46 )
GLU( 3 A -45 )
GLY( 3 A -44 )
LEU( 3 A -43 )
VAL( 3 A -42 )
GLN( 3 A -41 )
ARG( 3 A -40 )
VAL( 3 A -39 )
SER( 3 A -38 )
ASP( 3 A -37 )
GLY( 3 A -36 )
LYS( 3 A -35 )
ALA( 3 A -34 )
ALA( 3 A -33 )
VAL( 3 A -32 )
LEU( 3 A -31 )
PHE( 3 A -30 )
GLU( 3 A -29 )
ASN( 3 A -28 )
GLY( 3 A -27 )
ASN( 3 A -26 )
TRP( 3 A -25 )
ASP( 3 A -24 )
LYS( 3 A -23 )
LEU( 3 A -22 )
VAL( 3 A -21 )
THR( 3 A -20 )
PHE( 3 A -19 )
ARG( 3 A -18 )
LEU( 3 A -17 )
SER( 3 A -16 )
GLU( 3 A -15 )
LEU( 3 A -14 )
GLU( 3 A -13 )
ALA( 3 A -12 )
VAL( 3 A -11 )
LYS( 3 A -10 )
PRO( 3 A -9 )
ILE( 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 )
MET( 4 A -65 )
ILE( 4 A -64 )
PHE( 4 A -63 )
PRO( 4 A -62 )
GLY( 4 A -61 )
ALA( 4 A -60 )
THR( 4 A -59 )
VAL( 4 A -58 )
ARG( 4 A -57 )
VAL( 4 A -56 )
THR( 4 A -55 )
ASN( 4 A -54 )
VAL( 4 A -53 )
ASP( 4 A -52 )
ASP( 4 A -51 )
THR( 4 A -50 )
TYR( 4 A -49 )
TYR( 4 A -48 )
ARG( 4 A -47 )
PHE( 4 A -46 )
GLU( 4 A -45 )
GLY( 4 A -44 )
LEU( 4 A -43 )
VAL( 4 A -42 )
GLN( 4 A -41 )
ARG( 4 A -40 )
VAL( 4 A -39 )
SER( 4 A -38 )
ASP( 4 A -37 )
GLY( 4 A -36 )
LYS( 4 A -35 )
ALA( 4 A -34 )
ALA( 4 A -33 )
VAL( 4 A -32 )
LEU( 4 A -31 )
PHE( 4 A -30 )
GLU( 4 A -29 )
ASN( 4 A -28 )
GLY( 4 A -27 )
ASN( 4 A -26 )
TRP( 4 A -25 )
ASP( 4 A -24 )
LYS( 4 A -23 )
LEU( 4 A -22 )
VAL( 4 A -21 )
THR( 4 A -20 )
PHE( 4 A -19 )
ARG( 4 A -18 )
LEU( 4 A -17 )
SER( 4 A -16 )
GLU( 4 A -15 )
LEU( 4 A -14 )
GLU( 4 A -13 )
ALA( 4 A -12 )
VAL( 4 A -11 )
LYS( 4 A -10 )
PRO( 4 A -9 )
ILE( 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 )
MET( 5 A -65 )
ILE( 5 A -64 )
PHE( 5 A -63 )
PRO( 5 A -62 )
GLY( 5 A -61 )
ALA( 5 A -60 )
THR( 5 A -59 )
VAL( 5 A -58 )
ARG( 5 A -57 )
VAL( 5 A -56 )
THR( 5 A -55 )
ASN( 5 A -54 )
VAL( 5 A -53 )
ASP( 5 A -52 )
ASP( 5 A -51 )
THR( 5 A -50 )
TYR( 5 A -49 )
TYR( 5 A -48 )
ARG( 5 A -47 )
PHE( 5 A -46 )
GLU( 5 A -45 )
GLY( 5 A -44 )
LEU( 5 A -43 )
VAL( 5 A -42 )
GLN( 5 A -41 )
ARG( 5 A -40 )
VAL( 5 A -39 )
SER( 5 A -38 )
ASP( 5 A -37 )
GLY( 5 A -36 )
LYS( 5 A -35 )
ALA( 5 A -34 )
ALA( 5 A -33 )
VAL( 5 A -32 )
LEU( 5 A -31 )
PHE( 5 A -30 )
GLU( 5 A -29 )
ASN( 5 A -28 )
GLY( 5 A -27 )
ASN( 5 A -26 )
TRP( 5 A -25 )
ASP( 5 A -24 )
LYS( 5 A -23 )
LEU( 5 A -22 )
VAL( 5 A -21 )
THR( 5 A -20 )
PHE( 5 A -19 )
ARG( 5 A -18 )
LEU( 5 A -17 )
SER( 5 A -16 )
GLU( 5 A -15 )
LEU( 5 A -14 )
GLU( 5 A -13 )
ALA( 5 A -12 )
VAL( 5 A -11 )
LYS( 5 A -10 )
PRO( 5 A -9 )
ILE( 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 )
MET( 6 A -65 )
ILE( 6 A -64 )
PHE( 6 A -63 )
PRO( 6 A -62 )
GLY( 6 A -61 )
ALA( 6 A -60 )
THR( 6 A -59 )
VAL( 6 A -58 )
ARG( 6 A -57 )
VAL( 6 A -56 )
THR( 6 A -55 )
ASN( 6 A -54 )
VAL( 6 A -53 )
ASP( 6 A -52 )
ASP( 6 A -51 )
THR( 6 A -50 )
TYR( 6 A -49 )
TYR( 6 A -48 )
ARG( 6 A -47 )
PHE( 6 A -46 )
GLU( 6 A -45 )
GLY( 6 A -44 )
LEU( 6 A -43 )
VAL( 6 A -42 )
GLN( 6 A -41 )
ARG( 6 A -40 )
VAL( 6 A -39 )
SER( 6 A -38 )
ASP( 6 A -37 )
GLY( 6 A -36 )
LYS( 6 A -35 )
ALA( 6 A -34 )
ALA( 6 A -33 )
VAL( 6 A -32 )
LEU( 6 A -31 )
PHE( 6 A -30 )
GLU( 6 A -29 )
ASN( 6 A -28 )
GLY( 6 A -27 )
ASN( 6 A -26 )
TRP( 6 A -25 )
ASP( 6 A -24 )
LYS( 6 A -23 )
LEU( 6 A -22 )
VAL( 6 A -21 )
THR( 6 A -20 )
PHE( 6 A -19 )
ARG( 6 A -18 )
LEU( 6 A -17 )
SER( 6 A -16 )
GLU( 6 A -15 )
LEU( 6 A -14 )
GLU( 6 A -13 )
ALA( 6 A -12 )
VAL( 6 A -11 )
LYS( 6 A -10 )
PRO( 6 A -9 )
ILE( 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 )
MET( 7 A -65 )
ILE( 7 A -64 )
PHE( 7 A -63 )
PRO( 7 A -62 )
GLY( 7 A -61 )
ALA( 7 A -60 )
THR( 7 A -59 )
VAL( 7 A -58 )
ARG( 7 A -57 )
VAL( 7 A -56 )
THR( 7 A -55 )
ASN( 7 A -54 )
VAL( 7 A -53 )
ASP( 7 A -52 )
ASP( 7 A -51 )
THR( 7 A -50 )
TYR( 7 A -49 )
TYR( 7 A -48 )
ARG( 7 A -47 )
PHE( 7 A -46 )
GLU( 7 A -45 )
GLY( 7 A -44 )
LEU( 7 A -43 )
VAL( 7 A -42 )
GLN( 7 A -41 )
ARG( 7 A -40 )
VAL( 7 A -39 )
SER( 7 A -38 )
ASP( 7 A -37 )
GLY( 7 A -36 )
LYS( 7 A -35 )
ALA( 7 A -34 )
ALA( 7 A -33 )
VAL( 7 A -32 )
LEU( 7 A -31 )
PHE( 7 A -30 )
GLU( 7 A -29 )
ASN( 7 A -28 )
GLY( 7 A -27 )
ASN( 7 A -26 )
TRP( 7 A -25 )
ASP( 7 A -24 )
LYS( 7 A -23 )
LEU( 7 A -22 )
VAL( 7 A -21 )
THR( 7 A -20 )
PHE( 7 A -19 )
ARG( 7 A -18 )
LEU( 7 A -17 )
SER( 7 A -16 )
GLU( 7 A -15 )
LEU( 7 A -14 )
GLU( 7 A -13 )
ALA( 7 A -12 )
VAL( 7 A -11 )
LYS( 7 A -10 )
PRO( 7 A -9 )
ILE( 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 )
MET( 8 A -65 )
ILE( 8 A -64 )
PHE( 8 A -63 )
PRO( 8 A -62 )
GLY( 8 A -61 )
ALA( 8 A -60 )
THR( 8 A -59 )
VAL( 8 A -58 )
ARG( 8 A -57 )
VAL( 8 A -56 )
THR( 8 A -55 )
ASN( 8 A -54 )
VAL( 8 A -53 )
ASP( 8 A -52 )
ASP( 8 A -51 )
THR( 8 A -50 )
TYR( 8 A -49 )
TYR( 8 A -48 )
ARG( 8 A -47 )
PHE( 8 A -46 )
GLU( 8 A -45 )
GLY( 8 A -44 )
LEU( 8 A -43 )
VAL( 8 A -42 )
GLN( 8 A -41 )
ARG( 8 A -40 )
VAL( 8 A -39 )
SER( 8 A -38 )
ASP( 8 A -37 )
GLY( 8 A -36 )
LYS( 8 A -35 )
ALA( 8 A -34 )
ALA( 8 A -33 )
VAL( 8 A -32 )
LEU( 8 A -31 )
PHE( 8 A -30 )
GLU( 8 A -29 )
ASN( 8 A -28 )
GLY( 8 A -27 )
ASN( 8 A -26 )
TRP( 8 A -25 )
ASP( 8 A -24 )
LYS( 8 A -23 )
LEU( 8 A -22 )
VAL( 8 A -21 )
THR( 8 A -20 )
PHE( 8 A -19 )
ARG( 8 A -18 )
LEU( 8 A -17 )
SER( 8 A -16 )
GLU( 8 A -15 )
LEU( 8 A -14 )
GLU( 8 A -13 )
ALA( 8 A -12 )
VAL( 8 A -11 )
LYS( 8 A -10 )
PRO( 8 A -9 )
ILE( 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 )
MET( 9 A -65 )
ILE( 9 A -64 )
PHE( 9 A -63 )
PRO( 9 A -62 )
GLY( 9 A -61 )
ALA( 9 A -60 )
THR( 9 A -59 )
VAL( 9 A -58 )
ARG( 9 A -57 )
VAL( 9 A -56 )
THR( 9 A -55 )
ASN( 9 A -54 )
VAL( 9 A -53 )
ASP( 9 A -52 )
ASP( 9 A -51 )
THR( 9 A -50 )
TYR( 9 A -49 )
TYR( 9 A -48 )
ARG( 9 A -47 )
PHE( 9 A -46 )
GLU( 9 A -45 )
GLY( 9 A -44 )
LEU( 9 A -43 )
VAL( 9 A -42 )
GLN( 9 A -41 )
ARG( 9 A -40 )
VAL( 9 A -39 )
SER( 9 A -38 )
ASP( 9 A -37 )
GLY( 9 A -36 )
LYS( 9 A -35 )
ALA( 9 A -34 )
ALA( 9 A -33 )
VAL( 9 A -32 )
LEU( 9 A -31 )
PHE( 9 A -30 )
GLU( 9 A -29 )
ASN( 9 A -28 )
GLY( 9 A -27 )
ASN( 9 A -26 )
TRP( 9 A -25 )
ASP( 9 A -24 )
LYS( 9 A -23 )
LEU( 9 A -22 )
VAL( 9 A -21 )
THR( 9 A -20 )
PHE( 9 A -19 )
ARG( 9 A -18 )
LEU( 9 A -17 )
SER( 9 A -16 )
GLU( 9 A -15 )
LEU( 9 A -14 )
GLU( 9 A -13 )
ALA( 9 A -12 )
VAL( 9 A -11 )
LYS( 9 A -10 )
PRO( 9 A -9 )
ILE( 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 )
MET( 10 A -65 )
ILE( 10 A -64 )
PHE( 10 A -63 )
PRO( 10 A -62 )
GLY( 10 A -61 )
ALA( 10 A -60 )
THR( 10 A -59 )
VAL( 10 A -58 )
ARG( 10 A -57 )
VAL( 10 A -56 )
THR( 10 A -55 )
ASN( 10 A -54 )
VAL( 10 A -53 )
ASP( 10 A -52 )
ASP( 10 A -51 )
THR( 10 A -50 )
TYR( 10 A -49 )
TYR( 10 A -48 )
ARG( 10 A -47 )
PHE( 10 A -46 )
GLU( 10 A -45 )
GLY( 10 A -44 )
LEU( 10 A -43 )
VAL( 10 A -42 )
GLN( 10 A -41 )
ARG( 10 A -40 )
VAL( 10 A -39 )
SER( 10 A -38 )
ASP( 10 A -37 )
GLY( 10 A -36 )
LYS( 10 A -35 )
ALA( 10 A -34 )
ALA( 10 A -33 )
VAL( 10 A -32 )
LEU( 10 A -31 )
PHE( 10 A -30 )
GLU( 10 A -29 )
ASN( 10 A -28 )
GLY( 10 A -27 )
ASN( 10 A -26 )
TRP( 10 A -25 )
ASP( 10 A -24 )
LYS( 10 A -23 )
LEU( 10 A -22 )
VAL( 10 A -21 )
THR( 10 A -20 )
PHE( 10 A -19 )
ARG( 10 A -18 )
LEU( 10 A -17 )
SER( 10 A -16 )
GLU( 10 A -15 )
LEU( 10 A -14 )
GLU( 10 A -13 )
ALA( 10 A -12 )
VAL( 10 A -11 )
LYS( 10 A -10 )
PRO( 10 A -9 )
ILE( 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 )
MET( 11 A -65 )
ILE( 11 A -64 )
PHE( 11 A -63 )
PRO( 11 A -62 )
GLY( 11 A -61 )
ALA( 11 A -60 )
THR( 11 A -59 )
VAL( 11 A -58 )
ARG( 11 A -57 )
VAL( 11 A -56 )
THR( 11 A -55 )
ASN( 11 A -54 )
VAL( 11 A -53 )
ASP( 11 A -52 )
ASP( 11 A -51 )
THR( 11 A -50 )
TYR( 11 A -49 )
TYR( 11 A -48 )
ARG( 11 A -47 )
PHE( 11 A -46 )
GLU( 11 A -45 )
GLY( 11 A -44 )
LEU( 11 A -43 )
VAL( 11 A -42 )
GLN( 11 A -41 )
ARG( 11 A -40 )
VAL( 11 A -39 )
SER( 11 A -38 )
ASP( 11 A -37 )
GLY( 11 A -36 )
LYS( 11 A -35 )
ALA( 11 A -34 )
ALA( 11 A -33 )
VAL( 11 A -32 )
LEU( 11 A -31 )
PHE( 11 A -30 )
GLU( 11 A -29 )
ASN( 11 A -28 )
GLY( 11 A -27 )
ASN( 11 A -26 )
TRP( 11 A -25 )
ASP( 11 A -24 )
LYS( 11 A -23 )
LEU( 11 A -22 )
VAL( 11 A -21 )
THR( 11 A -20 )
PHE( 11 A -19 )
ARG( 11 A -18 )
LEU( 11 A -17 )
SER( 11 A -16 )
GLU( 11 A -15 )
LEU( 11 A -14 )
GLU( 11 A -13 )
ALA( 11 A -12 )
VAL( 11 A -11 )
LYS( 11 A -10 )
PRO( 11 A -9 )
ILE( 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 )
MET( 12 A -65 )
ILE( 12 A -64 )
PHE( 12 A -63 )
PRO( 12 A -62 )
GLY( 12 A -61 )
ALA( 12 A -60 )
THR( 12 A -59 )
VAL( 12 A -58 )
ARG( 12 A -57 )
VAL( 12 A -56 )
THR( 12 A -55 )
ASN( 12 A -54 )
VAL( 12 A -53 )
ASP( 12 A -52 )
ASP( 12 A -51 )
THR( 12 A -50 )
TYR( 12 A -49 )
TYR( 12 A -48 )
ARG( 12 A -47 )
PHE( 12 A -46 )
GLU( 12 A -45 )
GLY( 12 A -44 )
LEU( 12 A -43 )
VAL( 12 A -42 )
GLN( 12 A -41 )
ARG( 12 A -40 )
VAL( 12 A -39 )
SER( 12 A -38 )
ASP( 12 A -37 )
GLY( 12 A -36 )
LYS( 12 A -35 )
ALA( 12 A -34 )
ALA( 12 A -33 )
VAL( 12 A -32 )
LEU( 12 A -31 )
PHE( 12 A -30 )
GLU( 12 A -29 )
ASN( 12 A -28 )
GLY( 12 A -27 )
ASN( 12 A -26 )
TRP( 12 A -25 )
ASP( 12 A -24 )
LYS( 12 A -23 )
LEU( 12 A -22 )
VAL( 12 A -21 )
THR( 12 A -20 )
PHE( 12 A -19 )
ARG( 12 A -18 )
LEU( 12 A -17 )
SER( 12 A -16 )
GLU( 12 A -15 )
LEU( 12 A -14 )
GLU( 12 A -13 )
ALA( 12 A -12 )
VAL( 12 A -11 )
LYS( 12 A -10 )
PRO( 12 A -9 )
ILE( 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 )
MET( 13 A -65 )
ILE( 13 A -64 )
PHE( 13 A -63 )
PRO( 13 A -62 )
GLY( 13 A -61 )
ALA( 13 A -60 )
THR( 13 A -59 )
VAL( 13 A -58 )
ARG( 13 A -57 )
VAL( 13 A -56 )
THR( 13 A -55 )
ASN( 13 A -54 )
VAL( 13 A -53 )
ASP( 13 A -52 )
ASP( 13 A -51 )
THR( 13 A -50 )
TYR( 13 A -49 )
TYR( 13 A -48 )
ARG( 13 A -47 )
PHE( 13 A -46 )
GLU( 13 A -45 )
GLY( 13 A -44 )
LEU( 13 A -43 )
VAL( 13 A -42 )
GLN( 13 A -41 )
ARG( 13 A -40 )
VAL( 13 A -39 )
SER( 13 A -38 )
ASP( 13 A -37 )
GLY( 13 A -36 )
LYS( 13 A -35 )
ALA( 13 A -34 )
ALA( 13 A -33 )
VAL( 13 A -32 )
LEU( 13 A -31 )
PHE( 13 A -30 )
GLU( 13 A -29 )
ASN( 13 A -28 )
GLY( 13 A -27 )
ASN( 13 A -26 )
TRP( 13 A -25 )
ASP( 13 A -24 )
LYS( 13 A -23 )
LEU( 13 A -22 )
VAL( 13 A -21 )
THR( 13 A -20 )
PHE( 13 A -19 )
ARG( 13 A -18 )
LEU( 13 A -17 )
SER( 13 A -16 )
GLU( 13 A -15 )
LEU( 13 A -14 )
GLU( 13 A -13 )
ALA( 13 A -12 )
VAL( 13 A -11 )
LYS( 13 A -10 )
PRO( 13 A -9 )
ILE( 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 )
MET( 14 A -65 )
ILE( 14 A -64 )
PHE( 14 A -63 )
PRO( 14 A -62 )
GLY( 14 A -61 )
ALA( 14 A -60 )
THR( 14 A -59 )
VAL( 14 A -58 )
ARG( 14 A -57 )
VAL( 14 A -56 )
THR( 14 A -55 )
ASN( 14 A -54 )
VAL( 14 A -53 )
ASP( 14 A -52 )
ASP( 14 A -51 )
THR( 14 A -50 )
TYR( 14 A -49 )
TYR( 14 A -48 )
ARG( 14 A -47 )
PHE( 14 A -46 )
GLU( 14 A -45 )
GLY( 14 A -44 )
LEU( 14 A -43 )
VAL( 14 A -42 )
GLN( 14 A -41 )
ARG( 14 A -40 )
VAL( 14 A -39 )
SER( 14 A -38 )
ASP( 14 A -37 )
GLY( 14 A -36 )
LYS( 14 A -35 )
ALA( 14 A -34 )
ALA( 14 A -33 )
VAL( 14 A -32 )
LEU( 14 A -31 )
PHE( 14 A -30 )
GLU( 14 A -29 )
ASN( 14 A -28 )
GLY( 14 A -27 )
ASN( 14 A -26 )
TRP( 14 A -25 )
ASP( 14 A -24 )
LYS( 14 A -23 )
LEU( 14 A -22 )
VAL( 14 A -21 )
THR( 14 A -20 )
PHE( 14 A -19 )
ARG( 14 A -18 )
LEU( 14 A -17 )
SER( 14 A -16 )
GLU( 14 A -15 )
LEU( 14 A -14 )
GLU( 14 A -13 )
ALA( 14 A -12 )
VAL( 14 A -11 )
LYS( 14 A -10 )
PRO( 14 A -9 )
ILE( 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 )
MET( 15 A -65 )
ILE( 15 A -64 )
PHE( 15 A -63 )
PRO( 15 A -62 )
GLY( 15 A -61 )
ALA( 15 A -60 )
THR( 15 A -59 )
VAL( 15 A -58 )
ARG( 15 A -57 )
VAL( 15 A -56 )
THR( 15 A -55 )
ASN( 15 A -54 )
VAL( 15 A -53 )
ASP( 15 A -52 )
ASP( 15 A -51 )
THR( 15 A -50 )
TYR( 15 A -49 )
TYR( 15 A -48 )
ARG( 15 A -47 )
PHE( 15 A -46 )
GLU( 15 A -45 )
GLY( 15 A -44 )
LEU( 15 A -43 )
VAL( 15 A -42 )
GLN( 15 A -41 )
ARG( 15 A -40 )
VAL( 15 A -39 )
SER( 15 A -38 )
ASP( 15 A -37 )
GLY( 15 A -36 )
LYS( 15 A -35 )
ALA( 15 A -34 )
ALA( 15 A -33 )
VAL( 15 A -32 )
LEU( 15 A -31 )
PHE( 15 A -30 )
GLU( 15 A -29 )
ASN( 15 A -28 )
GLY( 15 A -27 )
ASN( 15 A -26 )
TRP( 15 A -25 )
ASP( 15 A -24 )
LYS( 15 A -23 )
LEU( 15 A -22 )
VAL( 15 A -21 )
THR( 15 A -20 )
PHE( 15 A -19 )
ARG( 15 A -18 )
LEU( 15 A -17 )
SER( 15 A -16 )
GLU( 15 A -15 )
LEU( 15 A -14 )
GLU( 15 A -13 )
ALA( 15 A -12 )
VAL( 15 A -11 )
LYS( 15 A -10 )
PRO( 15 A -9 )
ILE( 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 )
MET( 16 A -65 )
ILE( 16 A -64 )
PHE( 16 A -63 )
PRO( 16 A -62 )
GLY( 16 A -61 )
ALA( 16 A -60 )
THR( 16 A -59 )
VAL( 16 A -58 )
ARG( 16 A -57 )
VAL( 16 A -56 )
THR( 16 A -55 )
ASN( 16 A -54 )
VAL( 16 A -53 )
ASP( 16 A -52 )
ASP( 16 A -51 )
THR( 16 A -50 )
TYR( 16 A -49 )
TYR( 16 A -48 )
ARG( 16 A -47 )
PHE( 16 A -46 )
GLU( 16 A -45 )
GLY( 16 A -44 )
LEU( 16 A -43 )
VAL( 16 A -42 )
GLN( 16 A -41 )
ARG( 16 A -40 )
VAL( 16 A -39 )
SER( 16 A -38 )
ASP( 16 A -37 )
GLY( 16 A -36 )
LYS( 16 A -35 )
ALA( 16 A -34 )
ALA( 16 A -33 )
VAL( 16 A -32 )
LEU( 16 A -31 )
PHE( 16 A -30 )
GLU( 16 A -29 )
ASN( 16 A -28 )
GLY( 16 A -27 )
ASN( 16 A -26 )
TRP( 16 A -25 )
ASP( 16 A -24 )
LYS( 16 A -23 )
LEU( 16 A -22 )
VAL( 16 A -21 )
THR( 16 A -20 )
PHE( 16 A -19 )
ARG( 16 A -18 )
LEU( 16 A -17 )
SER( 16 A -16 )
GLU( 16 A -15 )
LEU( 16 A -14 )
GLU( 16 A -13 )
ALA( 16 A -12 )
VAL( 16 A -11 )
LYS( 16 A -10 )
PRO( 16 A -9 )
ILE( 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 )
MET( 17 A -65 )
ILE( 17 A -64 )
PHE( 17 A -63 )
PRO( 17 A -62 )
GLY( 17 A -61 )
ALA( 17 A -60 )
THR( 17 A -59 )
VAL( 17 A -58 )
ARG( 17 A -57 )
VAL( 17 A -56 )
THR( 17 A -55 )
ASN( 17 A -54 )
VAL( 17 A -53 )
ASP( 17 A -52 )
ASP( 17 A -51 )
THR( 17 A -50 )
TYR( 17 A -49 )
TYR( 17 A -48 )
ARG( 17 A -47 )
PHE( 17 A -46 )
GLU( 17 A -45 )
GLY( 17 A -44 )
LEU( 17 A -43 )
VAL( 17 A -42 )
GLN( 17 A -41 )
ARG( 17 A -40 )
VAL( 17 A -39 )
SER( 17 A -38 )
ASP( 17 A -37 )
GLY( 17 A -36 )
LYS( 17 A -35 )
ALA( 17 A -34 )
ALA( 17 A -33 )
VAL( 17 A -32 )
LEU( 17 A -31 )
PHE( 17 A -30 )
GLU( 17 A -29 )
ASN( 17 A -28 )
GLY( 17 A -27 )
ASN( 17 A -26 )
TRP( 17 A -25 )
ASP( 17 A -24 )
LYS( 17 A -23 )
LEU( 17 A -22 )
VAL( 17 A -21 )
THR( 17 A -20 )
PHE( 17 A -19 )
ARG( 17 A -18 )
LEU( 17 A -17 )
SER( 17 A -16 )
GLU( 17 A -15 )
LEU( 17 A -14 )
GLU( 17 A -13 )
ALA( 17 A -12 )
VAL( 17 A -11 )
LYS( 17 A -10 )
PRO( 17 A -9 )
ILE( 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 )
MET( 18 A -65 )
ILE( 18 A -64 )
PHE( 18 A -63 )
PRO( 18 A -62 )
GLY( 18 A -61 )
ALA( 18 A -60 )
THR( 18 A -59 )
VAL( 18 A -58 )
ARG( 18 A -57 )
VAL( 18 A -56 )
THR( 18 A -55 )
ASN( 18 A -54 )
VAL( 18 A -53 )
ASP( 18 A -52 )
ASP( 18 A -51 )
THR( 18 A -50 )
TYR( 18 A -49 )
TYR( 18 A -48 )
ARG( 18 A -47 )
PHE( 18 A -46 )
GLU( 18 A -45 )
GLY( 18 A -44 )
LEU( 18 A -43 )
VAL( 18 A -42 )
GLN( 18 A -41 )
ARG( 18 A -40 )
VAL( 18 A -39 )
SER( 18 A -38 )
ASP( 18 A -37 )
GLY( 18 A -36 )
LYS( 18 A -35 )
ALA( 18 A -34 )
ALA( 18 A -33 )
VAL( 18 A -32 )
LEU( 18 A -31 )
PHE( 18 A -30 )
GLU( 18 A -29 )
ASN( 18 A -28 )
GLY( 18 A -27 )
ASN( 18 A -26 )
TRP( 18 A -25 )
ASP( 18 A -24 )
LYS( 18 A -23 )
LEU( 18 A -22 )
VAL( 18 A -21 )
THR( 18 A -20 )
PHE( 18 A -19 )
ARG( 18 A -18 )
LEU( 18 A -17 )
SER( 18 A -16 )
GLU( 18 A -15 )
LEU( 18 A -14 )
GLU( 18 A -13 )
ALA( 18 A -12 )
VAL( 18 A -11 )
LYS( 18 A -10 )
PRO( 18 A -9 )
ILE( 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 )
MET( 19 A -65 )
ILE( 19 A -64 )
PHE( 19 A -63 )
PRO( 19 A -62 )
GLY( 19 A -61 )
ALA( 19 A -60 )
THR( 19 A -59 )
VAL( 19 A -58 )
ARG( 19 A -57 )
VAL( 19 A -56 )
THR( 19 A -55 )
ASN( 19 A -54 )
VAL( 19 A -53 )
ASP( 19 A -52 )
ASP( 19 A -51 )
THR( 19 A -50 )
TYR( 19 A -49 )
TYR( 19 A -48 )
ARG( 19 A -47 )
PHE( 19 A -46 )
GLU( 19 A -45 )
GLY( 19 A -44 )
LEU( 19 A -43 )
VAL( 19 A -42 )
GLN( 19 A -41 )
ARG( 19 A -40 )
VAL( 19 A -39 )
SER( 19 A -38 )
ASP( 19 A -37 )
GLY( 19 A -36 )
LYS( 19 A -35 )
ALA( 19 A -34 )
ALA( 19 A -33 )
VAL( 19 A -32 )
LEU( 19 A -31 )
PHE( 19 A -30 )
GLU( 19 A -29 )
ASN( 19 A -28 )
GLY( 19 A -27 )
ASN( 19 A -26 )
TRP( 19 A -25 )
ASP( 19 A -24 )
LYS( 19 A -23 )
LEU( 19 A -22 )
VAL( 19 A -21 )
THR( 19 A -20 )
PHE( 19 A -19 )
ARG( 19 A -18 )
LEU( 19 A -17 )
SER( 19 A -16 )
GLU( 19 A -15 )
LEU( 19 A -14 )
GLU( 19 A -13 )
ALA( 19 A -12 )
VAL( 19 A -11 )
LYS( 19 A -10 )
PRO( 19 A -9 )
ILE( 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 )
MET( 20 A -65 )
ILE( 20 A -64 )
PHE( 20 A -63 )
PRO( 20 A -62 )
GLY( 20 A -61 )
ALA( 20 A -60 )
THR( 20 A -59 )
VAL( 20 A -58 )
ARG( 20 A -57 )
VAL( 20 A -56 )
THR( 20 A -55 )
ASN( 20 A -54 )
VAL( 20 A -53 )
ASP( 20 A -52 )
ASP( 20 A -51 )
THR( 20 A -50 )
TYR( 20 A -49 )
TYR( 20 A -48 )
ARG( 20 A -47 )
PHE( 20 A -46 )
GLU( 20 A -45 )
GLY( 20 A -44 )
LEU( 20 A -43 )
VAL( 20 A -42 )
GLN( 20 A -41 )
ARG( 20 A -40 )
VAL( 20 A -39 )
SER( 20 A -38 )
ASP( 20 A -37 )
GLY( 20 A -36 )
LYS( 20 A -35 )
ALA( 20 A -34 )
ALA( 20 A -33 )
VAL( 20 A -32 )
LEU( 20 A -31 )
PHE( 20 A -30 )
GLU( 20 A -29 )
ASN( 20 A -28 )
GLY( 20 A -27 )
ASN( 20 A -26 )
TRP( 20 A -25 )
ASP( 20 A -24 )
LYS( 20 A -23 )
LEU( 20 A -22 )
VAL( 20 A -21 )
THR( 20 A -20 )
PHE( 20 A -19 )
ARG( 20 A -18 )
LEU( 20 A -17 )
SER( 20 A -16 )
GLU( 20 A -15 )
LEU( 20 A -14 )
GLU( 20 A -13 )
ALA( 20 A -12 )
VAL( 20 A -11 )
LYS( 20 A -10 )
PRO( 20 A -9 )
ILE( 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: MET ILE PHE PRO GLY ALA THR VAL ARG VAL THR ASN VAL ASP ASP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: THR TYR TYR ARG PHE GLU GLY LEU VAL GLN ARG VAL SER ASP GLY
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: LYS ALA ALA VAL LEU PHE GLU ASN GLY ASN TRP ASP LYS LEU VAL
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: THR PHE ARG LEU SER GLU LEU GLU ALA VAL LYS PRO ILE LEU GLU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: HIS HIS HIS HIS HIS HIS MET ILE PHE PRO GLY ALA THR VAL ARG
COORDS: ... ... ... ... ... ... MET ILE PHE PRO GLY ALA THR VAL ARG
1 9
76 90
SEQRES: VAL THR ASN VAL ASP ASP THR TYR TYR ARG PHE GLU GLY LEU VAL
COORDS: VAL THR ASN VAL ASP ASP THR TYR TYR ARG PHE GLU GLY LEU VAL
10 24
91 105
SEQRES: GLN ARG VAL SER ASP GLY LYS ALA ALA VAL LEU PHE GLU ASN GLY
COORDS: GLN ARG VAL SER ASP GLY LYS ALA ALA VAL LEU PHE GLU ASN GLY
25 39
106 120
SEQRES: ASN TRP ASP LYS LEU VAL THR PHE ARG LEU SER GLU LEU GLU ALA
COORDS: ASN TRP ASP LYS LEU VAL THR PHE ARG LEU SER GLU LEU GLU ALA
40 54
121 132
SEQRES: VAL LYS PRO ILE LEU GLU HIS HIS HIS HIS HIS HIS
COORDS: VAL LYS PRO ILE LEU GLU HIS HIS HIS HIS HIS HIS
55 66
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 14) HD2
ASP( 1 A 15) HD2
GLU( 1 A 21) HE2
ASP( 1 A 29) HD2
GLU( 1 A 37) HE2
ASP( 1 A 42) HD2
GLU( 1 A 51) HE2
GLU( 1 A 53) HE2
GLU( 1 A 60) HE2
ASP( 2 A 14) HD2
ASP( 2 A 15) HD2
GLU( 2 A 21) HE2
ASP( 2 A 29) HD2
GLU( 2 A 37) HE2
ASP( 2 A 42) HD2
GLU( 2 A 51) HE2
GLU( 2 A 53) HE2
GLU( 2 A 60) HE2
ASP( 3 A 14) HD2
ASP( 3 A 15) HD2
GLU( 3 A 21) HE2
ASP( 3 A 29) HD2
GLU( 3 A 37) HE2
ASP( 3 A 42) HD2
GLU( 3 A 51) HE2
GLU( 3 A 53) HE2
GLU( 3 A 60) HE2
ASP( 4 A 14) HD2
ASP( 4 A 15) HD2
GLU( 4 A 21) HE2
ASP( 4 A 29) HD2
GLU( 4 A 37) HE2
ASP( 4 A 42) HD2
GLU( 4 A 51) HE2
GLU( 4 A 53) HE2
GLU( 4 A 60) HE2
ASP( 5 A 14) HD2
ASP( 5 A 15) HD2
GLU( 5 A 21) HE2
ASP( 5 A 29) HD2
GLU( 5 A 37) HE2
ASP( 5 A 42) HD2
GLU( 5 A 51) HE2
GLU( 5 A 53) HE2
GLU( 5 A 60) HE2
ASP( 6 A 14) HD2
ASP( 6 A 15) HD2
GLU( 6 A 21) HE2
ASP( 6 A 29) HD2
GLU( 6 A 37) HE2
ASP( 6 A 42) HD2
GLU( 6 A 51) HE2
GLU( 6 A 53) HE2
GLU( 6 A 60) HE2
ASP( 7 A 14) HD2
ASP( 7 A 15) HD2
GLU( 7 A 21) HE2
ASP( 7 A 29) HD2
GLU( 7 A 37) HE2
ASP( 7 A 42) HD2
GLU( 7 A 51) HE2
GLU( 7 A 53) HE2
GLU( 7 A 60) HE2
ASP( 8 A 14) HD2
ASP( 8 A 15) HD2
GLU( 8 A 21) HE2
ASP( 8 A 29) HD2
GLU( 8 A 37) HE2
ASP( 8 A 42) HD2
GLU( 8 A 51) HE2
GLU( 8 A 53) HE2
GLU( 8 A 60) HE2
ASP( 9 A 14) HD2
ASP( 9 A 15) HD2
GLU( 9 A 21) HE2
ASP( 9 A 29) HD2
GLU( 9 A 37) HE2
ASP( 9 A 42) HD2
GLU( 9 A 51) HE2
GLU( 9 A 53) HE2
GLU( 9 A 60) HE2
ASP( 10 A 14) HD2
ASP( 10 A 15) HD2
GLU( 10 A 21) HE2
ASP( 10 A 29) HD2
GLU( 10 A 37) HE2
ASP( 10 A 42) HD2
GLU( 10 A 51) HE2
GLU( 10 A 53) HE2
GLU( 10 A 60) HE2
ASP( 11 A 14) HD2
ASP( 11 A 15) HD2
GLU( 11 A 21) HE2
ASP( 11 A 29) HD2
GLU( 11 A 37) HE2
ASP( 11 A 42) HD2
GLU( 11 A 51) HE2
GLU( 11 A 53) HE2
GLU( 11 A 60) HE2
ASP( 12 A 14) HD2
ASP( 12 A 15) HD2
GLU( 12 A 21) HE2
ASP( 12 A 29) HD2
GLU( 12 A 37) HE2
ASP( 12 A 42) HD2
GLU( 12 A 51) HE2
GLU( 12 A 53) HE2
GLU( 12 A 60) HE2
ASP( 13 A 14) HD2
ASP( 13 A 15) HD2
GLU( 13 A 21) HE2
ASP( 13 A 29) HD2
GLU( 13 A 37) HE2
ASP( 13 A 42) HD2
GLU( 13 A 51) HE2
GLU( 13 A 53) HE2
GLU( 13 A 60) HE2
ASP( 14 A 14) HD2
ASP( 14 A 15) HD2
GLU( 14 A 21) HE2
ASP( 14 A 29) HD2
GLU( 14 A 37) HE2
ASP( 14 A 42) HD2
GLU( 14 A 51) HE2
GLU( 14 A 53) HE2
GLU( 14 A 60) HE2
ASP( 15 A 14) HD2
ASP( 15 A 15) HD2
GLU( 15 A 21) HE2
ASP( 15 A 29) HD2
GLU( 15 A 37) HE2
ASP( 15 A 42) HD2
GLU( 15 A 51) HE2
GLU( 15 A 53) HE2
GLU( 15 A 60) HE2
ASP( 16 A 14) HD2
ASP( 16 A 15) HD2
GLU( 16 A 21) HE2
ASP( 16 A 29) HD2
GLU( 16 A 37) HE2
ASP( 16 A 42) HD2
GLU( 16 A 51) HE2
GLU( 16 A 53) HE2
GLU( 16 A 60) HE2
ASP( 17 A 14) HD2
ASP( 17 A 15) HD2
GLU( 17 A 21) HE2
ASP( 17 A 29) HD2
GLU( 17 A 37) HE2
ASP( 17 A 42) HD2
GLU( 17 A 51) HE2
GLU( 17 A 53) HE2
GLU( 17 A 60) HE2
ASP( 18 A 14) HD2
ASP( 18 A 15) HD2
GLU( 18 A 21) HE2
ASP( 18 A 29) HD2
GLU( 18 A 37) HE2
ASP( 18 A 42) HD2
GLU( 18 A 51) HE2
GLU( 18 A 53) HE2
GLU( 18 A 60) HE2
ASP( 19 A 14) HD2
ASP( 19 A 15) HD2
GLU( 19 A 21) HE2
ASP( 19 A 29) HD2
GLU( 19 A 37) HE2
ASP( 19 A 42) HD2
GLU( 19 A 51) HE2
GLU( 19 A 53) HE2
GLU( 19 A 60) HE2
ASP( 20 A 14) HD2
ASP( 20 A 15) HD2
GLU( 20 A 21) HE2
ASP( 20 A 29) HD2
GLU( 20 A 37) HE2
ASP( 20 A 42) HD2
GLU( 20 A 51) HE2
GLU( 20 A 53) HE2
GLU( 20 A 60) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 66) O2
HIS( 2 A 66) O2
HIS( 3 A 66) O2
HIS( 4 A 66) O2
HIS( 5 A 66) O2
HIS( 6 A 66) O2
HIS( 7 A 66) O2
HIS( 8 A 66) O2
HIS( 9 A 66) O2
HIS( 10 A 66) O2
HIS( 11 A 66) O2
HIS( 12 A 66) O2
HIS( 13 A 66) O2
HIS( 14 A 66) O2
HIS( 15 A 66) O2
HIS( 16 A 66) O2
HIS( 17 A 66) O2
HIS( 18 A 66) O2
HIS( 19 A 66) O2
HIS( 20 A 66) O2
CHECK TERMINAL ATOMS
--------------------
Terminal atom(s) showed in middle of sequence will be deleted:
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A