Detailed results of HR4694F_R3_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1755
# INTRA-RESIDUE RESTRAINTS (I=J) : 455
# SEQUENTIAL RESTRAINTS (I-J)=1 : 498
# BACKBONE-BACKBONE : 108
# BACKBONE-SIDE CHAIN : 104
# SIDE CHAIN-SIDE CHAIN : 286
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 256
# BACKBONE-BACKBONE : 56
# BACKBONE-SIDE CHAIN : 55
# SIDE CHAIN-SIDE CHAIN : 145
# LONG RANGE RESTRAINTS (I-J)>=5 : 546
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1755
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
HIS 1 0 0.0 0.0 0.0 0.0 0.0
MET 2 4 2.5 2.5 0.0 0.0 0.0
PRO 3 0 3.5 3.5 0.0 0.0 0.0
LYS 4 12 3.0 3.0 0.0 0.0 0.0
SER 5 1 3.5 3.5 0.0 0.0 0.0
PRO 6 0 4.0 4.0 0.0 0.0 0.0
GLN 7 6 5.5 5.5 0.0 0.0 0.0
LYS 8 9 9.5 8.5 1.0 0.0 0.0
PRO 9 0 15.0 7.5 0.0 7.5 0.0
ILE 10 9 20.0 6.5 4.0 9.5 0.0
VAL 11 5 24.0 7.0 0.0 17.0 0.0
ARG 12 12 20.5 5.5 3.0 12.0 0.0
VAL 13 5 19.0 5.5 1.5 12.0 0.0
PHE 14 3 17.5 6.0 0.0 11.5 0.0
LEU 15 7 26.5 7.5 9.5 9.5 0.0
PRO 16 0 13.0 4.0 0.5 8.5 0.0
ASN 17 6 4.0 2.5 1.5 0.0 0.0
LYS 18 14 4.0 3.5 0.5 0.0 0.0
GLN 19 11 13.5 4.0 9.5 0.0 0.0
ARG 20 6 13.0 9.0 0.0 4.0 0.0
THR 21 2 16.5 9.0 0.0 7.5 0.0
VAL 22 5 14.5 6.5 0.0 8.0 0.0
VAL 23 3 18.0 8.5 0.5 9.0 0.0
PRO 24 0 11.5 8.0 0.0 3.5 0.0
ALA 25 1 24.0 6.5 0.5 17.0 0.0
ARG 26 12 19.5 9.0 6.0 4.5 0.0
CYS 27 3 15.5 9.5 1.5 4.5 0.0
GLY 28 0 7.0 6.0 0.0 1.0 0.0
VAL 29 4 20.5 5.0 11.0 4.5 0.0
THR 30 2 17.0 4.5 5.0 7.5 0.0
VAL 31 5 24.0 4.0 4.5 15.5 0.0
ARG 32 14 19.5 5.0 3.5 11.0 0.0
ASP 33 3 16.0 4.5 11.5 0.0 0.0
SER 34 3 19.5 5.0 6.0 8.5 0.0
LEU 35 12 16.5 5.0 7.5 4.0 0.0
LYS 36 20 13.0 4.0 9.0 0.0 0.0
LYS 37 12 12.5 6.0 6.5 0.0 0.0
ALA 38 1 16.5 6.0 8.0 2.5 0.0
LEU 39 9 27.5 5.0 7.0 15.5 0.0
MET 40 6 12.5 5.0 7.5 0.0 0.0
MET 41 2 12.5 7.0 5.5 0.0 0.0
ARG 42 12 17.5 8.0 8.0 1.5 0.0
GLY 43 0 5.0 3.5 1.5 0.0 0.0
LEU 44 10 17.5 4.0 4.5 9.0 0.0
ILE 45 9 21.5 7.5 13.0 1.0 0.0
PRO 46 0 19.0 8.5 2.5 8.0 0.0
GLU 47 6 12.0 5.0 6.0 1.0 0.0
CYS 48 3 12.0 2.0 9.0 1.0 0.0
CYS 49 1 27.0 5.0 3.5 18.5 0.0
ALA 50 1 16.5 6.5 1.5 8.5 0.0
VAL 51 5 27.0 6.0 0.0 21.0 0.0
TYR 52 3 31.0 6.0 4.5 20.5 0.0
ARG 53 7 21.0 7.0 0.0 14.0 0.0
ILE 54 9 25.5 8.0 6.5 11.0 0.0
GLN 55 8 12.5 9.5 2.5 0.5 0.0
ASP 56 0 11.0 8.5 2.5 0.0 0.0
GLY 57 0 6.5 3.5 3.0 0.0 0.0
GLU 58 9 10.5 6.0 4.5 0.0 0.0
LYS 59 16 21.0 8.0 0.5 12.5 0.0
LYS 60 13 16.0 9.5 0.5 6.0 0.0
PRO 61 0 13.5 10.5 0.0 3.0 0.0
ILE 62 7 24.5 6.0 2.0 16.5 0.0
GLY 63 0 6.5 4.5 2.0 0.0 0.0
TRP 64 9 37.5 3.5 1.5 32.5 0.0
ASP 65 3 8.0 4.0 1.0 3.0 0.0
THR 66 3 17.0 5.5 7.0 4.5 0.0
ASP 67 2 13.0 5.5 4.0 3.5 0.0
ILE 68 9 36.5 7.5 3.5 25.5 0.0
SER 69 1 15.5 5.5 3.0 7.0 0.0
TRP 70 7 12.5 4.5 8.0 0.0 0.0
LEU 71 11 18.0 7.0 5.0 6.0 0.0
THR 72 3 20.0 7.5 4.5 8.0 0.0
GLY 73 0 9.0 5.5 0.0 3.5 0.0
GLU 74 2 10.5 4.0 5.0 1.5 0.0
GLU 75 4 19.0 8.0 0.0 11.0 0.0
LEU 76 9 28.0 8.5 0.5 19.0 0.0
HIS 77 2 15.5 5.0 0.0 10.5 0.0
VAL 78 5 21.0 3.5 0.0 17.5 0.0
GLU 79 3 13.5 5.5 0.0 8.0 0.0
VAL 80 4 13.0 6.5 1.0 5.5 0.0
LEU 81 10 15.0 4.5 0.0 10.5 0.0
GLU 82 7 5.5 4.5 1.0 0.0 0.0
ASN 83 4 6.5 6.0 0.5 0.0 0.0
VAL 84 4 7.5 7.0 0.5 0.0 0.0
PRO 85 0 6.0 6.0 0.0 0.0 0.0
LEU 86 5 2.0 2.0 0.0 0.0 0.0
# TOTAL 455 1300.0 498.0 256.0 546.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1755.0
List of conformationally-resticting NOE constraints
assign ((resid 44 and name HA )) ( (resid 45 and name HN )) 3.26 1.46 0.33
assign ((resid 13 and name HN )) ( (resid 22 and name HA )) 3.86 2.06 0.39
assign ((resid 78 and name HA )) ( (resid 79 and name HN )) 3.01 1.21 0.30
assign ((resid 11 and name HA )) ( (resid 73 and name HN )) 3.80 2.00 0.38
assign ((resid 10 and name HB )) ( (resid 11 and name HN )) 3.23 1.43 0.32
assign ((resid 11 and name HN )) ( (resid 11 and name HB )) 3.61 1.81 0.36
assign ((resid 13 and name HN )) ( (resid 13 and name HB )) 3.26 1.46 0.33
assign ((resid 22 and name HN )) ( (resid 22 and name HB )) 3.40 1.60 0.34
assign ((resid 25 and name HN )) ( (resid 25 and name HB* )) 3.26 1.46 0.33
assign ((resid 29 and name HN )) ( (resid 29 and name HB )) 3.35 1.55 0.34
assign ((resid 31 and name HN )) ( (resid 31 and name HB )) 3.62 1.82 0.36
assign ((resid 38 and name HN )) ( (resid 38 and name HB* )) 2.95 1.15 0.30
assign ((resid 50 and name HN )) ( (resid 50 and name HB* )) 3.27 1.47 0.33
assign ((resid 51 and name HN )) ( (resid 51 and name HB )) 3.61 1.81 0.36
assign ((resid 54 and name HN )) ( (resid 54 and name HB )) 3.90 2.10 0.39
assign ((resid 62 and name HN )) ( (resid 62 and name HB )) 3.38 1.58 0.34
assign ((resid 66 and name HN )) ( (resid 66 and name HB )) 3.45 1.65 0.34
assign ((resid 72 and name HN )) ( (resid 72 and name HB )) 3.31 1.51 0.33
assign ((resid 78 and name HN )) ( (resid 78 and name HB )) 3.53 1.73 0.35
assign ((resid 80 and name HN )) ( (resid 80 and name HB )) 3.03 1.23 0.30
assign ((resid 4 and name HN )) ( (resid 4 and name HB2 )) 3.69 1.89 0.37
assign ((resid 7 and name HN )) ( (resid 7 and name HB2 )) 3.75 1.95 0.38
assign ((resid 19 and name HN )) ( (resid 19 and name HB2 )) 3.86 2.06 0.39
assign ((resid 27 and name HN )) ( (resid 27 and name HB2 )) 3.30 1.50 0.33
assign ((resid 32 and name HN )) ( (resid 32 and name HB1 )) 3.75 1.95 0.38
assign ((resid 33 and name HN )) ( (resid 33 and name HB2 )) 3.65 1.85 0.37
assign ((resid 34 and name HN )) ( (resid 34 and name HB2 )) 3.73 1.93 0.37
assign ((resid 35 and name HN )) ( (resid 35 and name HB1 )) 3.62 1.82 0.36
assign ((resid 36 and name HN )) ( (resid 36 and name HB2 )) 3.64 1.84 0.36
assign ((resid 38 and name HB* )) ( (resid 39 and name HN )) 3.24 1.44 0.32
assign ((resid 40 and name HN )) ( (resid 40 and name HB2 )) 3.53 1.73 0.35
assign ((resid 40 and name HN )) ( (resid 40 and name HB1 )) 3.53 1.73 0.35
assign ((resid 42 and name HN )) ( (resid 42 and name HB1 )) 3.61 1.81 0.36
assign ((resid 44 and name HN )) ( (resid 44 and name HB2 )) 3.84 2.04 0.38
assign ((resid 48 and name HN )) ( (resid 48 and name HB2 )) 3.71 1.91 0.37
assign ((resid 55 and name HN )) ( (resid 55 and name HB2 )) 3.70 1.90 0.37
assign ((resid 58 and name HN )) ( (resid 58 and name HB2 )) 3.90 2.10 0.39
assign ((resid 59 and name HN )) ( (resid 59 and name HB2 )) 3.59 1.79 0.36
assign ((resid 64 and name HN )) ( (resid 64 and name HB2 )) 3.74 1.94 0.37
assign ((resid 65 and name HN )) ( (resid 65 and name HB2 )) 3.71 1.91 0.37
assign ((resid 67 and name HN )) ( (resid 67 and name HB1 )) 3.57 1.77 0.36
assign ((resid 70 and name HN )) ( (resid 70 and name HB2 )) 3.70 1.90 0.37
assign ((resid 71 and name HN )) ( (resid 71 and name HB2 )) 3.83 2.03 0.38
assign ((resid 81 and name HN )) ( (resid 81 and name HB2 )) 3.52 1.72 0.35
assign ((resid 82 and name HN )) ( (resid 82 and name HB2 )) 3.81 2.01 0.38
assign ((resid 83 and name HN )) ( (resid 83 and name HB2 )) 3.89 2.09 0.39
assign ((resid 4 and name HN )) ( (resid 4 and name HB1 )) 3.69 1.89 0.37
assign ((resid 7 and name HN )) ( (resid 7 and name HB1 )) 3.75 1.95 0.38
assign ((resid 12 and name HN )) ( (resid 12 and name HB2 )) 3.28 1.48 0.33
assign ((resid 19 and name HN )) ( (resid 19 and name HB1 )) 3.86 2.06 0.39
assign ((resid 27 and name HN )) ( (resid 27 and name HB1 )) 3.30 1.50 0.33
assign ((resid 32 and name HN )) ( (resid 32 and name HB2 )) 3.73 1.93 0.37
assign ((resid 33 and name HN )) ( (resid 33 and name HB1 )) 3.65 1.85 0.37
assign ((resid 34 and name HN )) ( (resid 34 and name HB1 )) 3.73 1.93 0.37
assign ((resid 35 and name HN )) ( (resid 35 and name HB2 )) 3.63 1.83 0.36
assign ((resid 36 and name HN )) ( (resid 36 and name HB1 )) 3.19 1.39 0.32
assign ((resid 39 and name HN )) ( (resid 39 and name HB2 )) 3.41 1.61 0.34
assign ((resid 42 and name HN )) ( (resid 42 and name HB2 )) 3.57 1.77 0.36
assign ((resid 44 and name HN )) ( (resid 44 and name HB1 )) 3.84 2.04 0.38
assign ((resid 45 and name HB )) ( (resid 47 and name HN )) 3.22 1.42 0.32
assign ((resid 48 and name HN )) ( (resid 48 and name HB1 )) 3.71 1.91 0.37
assign ((resid 55 and name HN )) ( (resid 55 and name HB1 )) 3.70 1.90 0.37
assign ((resid 58 and name HN )) ( (resid 58 and name HB1 )) 3.90 2.10 0.39
assign ((resid 59 and name HN )) ( (resid 59 and name HB1 )) 3.59 1.79 0.36
assign ((resid 64 and name HN )) ( (resid 64 and name HB1 )) 3.74 1.94 0.37
assign ((resid 65 and name HN )) ( (resid 65 and name HB1 )) 3.71 1.91 0.37
assign ((resid 67 and name HN )) ( (resid 67 and name HB2 )) 3.52 1.72 0.35
assign ((resid 70 and name HN )) ( (resid 70 and name HB1 )) 3.70 1.90 0.37
assign ((resid 71 and name HN )) ( (resid 71 and name HB1 )) 3.83 2.03 0.38
assign ((resid 76 and name HN )) ( (resid 76 and name HB2 )) 3.67 1.87 0.37
assign ((resid 76 and name HN )) ( (resid 76 and name HG )) 4.03 2.23 0.40
assign ((resid 82 and name HN )) ( (resid 82 and name HB1 )) 3.81 2.01 0.38
assign ((resid 83 and name HN )) ( (resid 83 and name HB1 )) 3.89 2.09 0.39
assign ((resid 10 and name HN )) ( (resid 11 and name HN )) 4.44 2.64 0.44
assign ((resid 11 and name HN )) ( (resid 12 and name HN )) 4.88 3.08 0.49
assign ((resid 12 and name HN )) ( (resid 13 and name HN )) 4.61 2.81 0.46
assign ((resid 14 and name HN )) ( (resid 15 and name HN )) 4.94 3.14 0.49
assign ((resid 18 and name HN )) ( (resid 19 and name HN )) 3.59 1.79 0.36
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 4.59 2.79 0.46
assign ((resid 21 and name HN )) ( (resid 22 and name HN )) 4.64 2.84 0.46
assign ((resid 25 and name HN )) ( (resid 26 and name HN )) 4.62 2.82 0.46
assign ((resid 28 and name HN )) ( (resid 29 and name HN )) 3.48 1.68 0.35
assign ((resid 29 and name HN )) ( (resid 30 and name HN )) 4.64 2.84 0.46
assign ((resid 31 and name HN )) ( (resid 32 and name HN )) 3.28 1.48 0.33
assign ((resid 32 and name HN )) ( (resid 33 and name HN )) 3.89 2.09 0.39
assign ((resid 35 and name HN )) ( (resid 36 and name HN )) 3.31 1.51 0.33
assign ((resid 39 and name HN )) ( (resid 40 and name HN )) 3.35 1.55 0.34
assign ((resid 40 and name HN )) ( (resid 41 and name HN )) 3.50 1.70 0.35
assign ((resid 41 and name HN )) ( (resid 42 and name HN )) 3.52 1.72 0.35
assign ((resid 44 and name HN )) ( (resid 45 and name HN )) 4.59 2.79 0.46
assign ((resid 48 and name HN )) ( (resid 49 and name HN )) 3.22 1.42 0.32
assign ((resid 49 and name HN )) ( (resid 50 and name HN )) 4.59 2.79 0.46
assign ((resid 51 and name HN )) ( (resid 52 and name HN )) 4.72 2.92 0.47
assign ((resid 52 and name HN )) ( (resid 62 and name HN )) 5.18 3.38 0.52
assign ((resid 53 and name HN )) ( (resid 54 and name HN )) 4.90 3.10 0.49
assign ((resid 54 and name HN )) ( (resid 55 and name HN )) 4.81 3.01 0.48
assign ((resid 55 and name HN )) ( (resid 60 and name HN )) 5.28 3.48 0.53
assign ((resid 56 and name HN )) ( (resid 57 and name HN )) 3.71 1.91 0.37
assign ((resid 57 and name HN )) ( (resid 58 and name HN )) 3.59 1.79 0.36
assign ((resid 58 and name HN )) ( (resid 59 and name HN )) 4.67 2.87 0.47
assign ((resid 63 and name HN )) ( (resid 64 and name HN )) 4.67 2.87 0.47
assign ((resid 64 and name HN )) ( (resid 65 and name HN )) 3.68 1.88 0.37
assign ((resid 65 and name HN )) ( (resid 66 and name HN )) 3.38 1.58 0.34
assign ((resid 68 and name HN )) ( (resid 69 and name HN )) 3.92 2.12 0.39
assign ((resid 69 and name HN )) ( (resid 70 and name HN )) 3.85 2.05 0.38
assign ((resid 70 and name HN )) ( (resid 71 and name HN )) 3.70 1.90 0.37
assign ((resid 71 and name HN )) ( (resid 72 and name HN )) 3.26 1.46 0.33
assign ((resid 73 and name HN )) ( (resid 74 and name HN )) 3.63 1.83 0.36
assign ((resid 74 and name HN )) ( (resid 75 and name HN )) 4.65 2.85 0.47
assign ((resid 14 and name HN )) ( (resid 78 and name HN )) 3.96 2.16 0.40
assign ((resid 78 and name HN )) ( (resid 79 and name HN )) 4.94 3.14 0.49
assign ((resid 80 and name HN )) ( (resid 81 and name HN )) 4.57 2.77 0.46
assign ((resid 81 and name HN )) ( (resid 82 and name HN )) 3.96 2.16 0.40
assign ((resid 83 and name HN )) ( (resid 84 and name HN )) 3.65 1.85 0.37
assign ((resid 3 and name HA )) ( (resid 4 and name HN )) 2.77 0.97 0.28
assign ((resid 4 and name HA )) ( (resid 5 and name HN )) 2.99 1.19 0.30
assign ((resid 6 and name HA )) ( (resid 7 and name HN )) 2.74 0.94 0.27
assign ((resid 7 and name HA )) ( (resid 8 and name HN )) 3.04 1.24 0.30
assign ((resid 9 and name HA )) ( (resid 10 and name HN )) 2.87 1.07 0.29
assign ((resid 10 and name HA )) ( (resid 11 and name HN )) 3.12 1.32 0.31
assign ((resid 11 and name HA )) ( (resid 12 and name HN )) 3.03 1.23 0.30
assign ((resid 12 and name HA )) ( (resid 13 and name HN )) 3.06 1.26 0.31
assign ((resid 13 and name HA )) ( (resid 14 and name HN )) 3.11 1.31 0.31
assign ((resid 14 and name HA )) ( (resid 15 and name HN )) 3.04 1.24 0.30
assign ((resid 19 and name HA )) ( (resid 20 and name HN )) 2.90 1.10 0.29
assign ((resid 20 and name HA )) ( (resid 21 and name HN )) 3.01 1.21 0.30
assign ((resid 21 and name HA )) ( (resid 22 and name HN )) 3.22 1.42 0.32
assign ((resid 22 and name HA )) ( (resid 23 and name HN )) 3.03 1.23 0.30
assign ((resid 24 and name HA )) ( (resid 25 and name HN )) 3.01 1.21 0.30
assign ((resid 25 and name HA )) ( (resid 26 and name HN )) 3.20 1.40 0.32
assign ((resid 26 and name HA )) ( (resid 27 and name HN )) 2.87 1.07 0.29
assign ((resid 27 and name HA )) ( (resid 28 and name HN )) 3.34 1.54 0.33
assign ((resid 29 and name HA )) ( (resid 30 and name HN )) 2.93 1.13 0.29
assign ((resid 30 and name HA )) ( (resid 31 and name HN )) 3.44 1.64 0.34
assign ((resid 49 and name HA )) ( (resid 50 and name HN )) 3.22 1.42 0.32
assign ((resid 50 and name HA )) ( (resid 51 and name HN )) 3.03 1.23 0.30
assign ((resid 51 and name HA )) ( (resid 52 and name HN )) 3.10 1.30 0.31
assign ((resid 52 and name HA )) ( (resid 53 and name HN )) 3.46 1.66 0.35
assign ((resid 53 and name HA )) ( (resid 54 and name HN )) 3.30 1.50 0.33
assign ((resid 54 and name HA )) ( (resid 55 and name HN )) 3.10 1.30 0.31
assign ((resid 55 and name HA )) ( (resid 56 and name HN )) 3.02 1.22 0.30
assign ((resid 56 and name HA )) ( (resid 57 and name HN )) 3.37 1.57 0.34
assign ((resid 58 and name HA )) ( (resid 59 and name HN )) 2.82 1.02 0.28
assign ((resid 59 and name HA )) ( (resid 60 and name HN )) 3.19 1.39 0.32
assign ((resid 61 and name HA )) ( (resid 62 and name HN )) 3.09 1.29 0.31
assign ((resid 62 and name HA )) ( (resid 63 and name HN )) 3.09 1.29 0.31
assign ((resid 30 and name HB )) ( (resid 66 and name HN )) 4.28 2.48 0.43
assign ((resid 66 and name HA )) ( (resid 67 and name HN )) 3.19 1.39 0.32
assign ((resid 67 and name HA )) ( (resid 68 and name HN )) 3.35 1.55 0.34
assign ((resid 68 and name HA )) ( (resid 70 and name HN )) 4.47 2.67 0.45
assign ((resid 72 and name HA )) ( (resid 73 and name HN )) 3.12 1.32 0.31
assign ((resid 74 and name HA )) ( (resid 75 and name HN )) 3.15 1.35 0.32
assign ((resid 75 and name HA )) ( (resid 76 and name HN )) 3.07 1.27 0.31
assign ((resid 76 and name HA )) ( (resid 77 and name HN )) 3.20 1.40 0.32
assign ((resid 77 and name HA )) ( (resid 78 and name HN )) 3.12 1.32 0.31
assign ((resid 79 and name HA )) ( (resid 80 and name HN )) 2.91 1.11 0.29
assign ((resid 80 and name HA )) ( (resid 81 and name HN )) 3.08 1.28 0.31
assign ((resid 82 and name HA )) ( (resid 83 and name HN )) 2.86 1.06 0.29
assign ((resid 83 and name HA )) ( (resid 84 and name HN )) 3.14 1.34 0.31
assign ((resid 85 and name HA )) ( (resid 86 and name HN )) 2.95 1.15 0.30
assign ((resid 15 and name HN )) ( (resid 15 and name HG )) 3.44 1.64 0.34
assign ((resid 35 and name HN )) ( (resid 35 and name HG )) 3.42 1.62 0.34
assign ((resid 39 and name HN )) ( (resid 39 and name HG )) 3.42 1.62 0.34
assign ((resid 44 and name HN )) ( (resid 44 and name HG )) 3.40 1.60 0.34
assign ((resid 71 and name HN )) ( (resid 71 and name HG )) 3.73 1.93 0.37
assign ((resid 81 and name HN )) ( (resid 81 and name HG )) 3.28 1.48 0.33
assign ((resid 86 and name HN )) ( (resid 86 and name HG )) 4.27 2.47 0.43
assign ((resid 2 and name HN )) ( (resid 2 and name HG2 )) 4.75 2.95 0.47
assign ((resid 4 and name HN )) ( (resid 4 and name HG2 )) 4.29 2.49 0.43
assign ((resid 7 and name HN )) ( (resid 7 and name HG2 )) 5.36 3.56 0.54
assign ((resid 7 and name HN )) ( (resid 7 and name HG1 )) 5.36 3.56 0.54
assign ((resid 8 and name HN )) ( (resid 8 and name HG2 )) 4.00 2.20 0.40
assign ((resid 10 and name HN )) ( (resid 10 and name HG2* )) 3.48 1.68 0.35
assign ((resid 11 and name HN )) ( (resid 11 and name HG2* )) 3.24 1.44 0.32
assign ((resid 12 and name HN )) ( (resid 12 and name HG2 )) 4.24 2.44 0.42
assign ((resid 13 and name HN )) ( (resid 13 and name HG2* )) 3.23 1.43 0.32
assign ((resid 18 and name HN )) ( (resid 18 and name HG2 )) 4.24 2.44 0.42
assign ((resid 18 and name HN )) ( (resid 18 and name HG1 )) 4.24 2.44 0.42
assign ((resid 19 and name HN )) ( (resid 19 and name HG2 )) 4.19 2.39 0.42
assign ((resid 20 and name HN )) ( (resid 20 and name HG2 )) 4.93 3.13 0.49
assign ((resid 20 and name HN )) ( (resid 20 and name HG1 )) 4.93 3.13 0.49
assign ((resid 21 and name HN )) ( (resid 21 and name HG2* )) 3.30 1.50 0.33
assign ((resid 22 and name HN )) ( (resid 22 and name HG2* )) 2.94 1.14 0.29
assign ((resid 23 and name HN )) ( (resid 23 and name HG2* )) 3.23 1.43 0.32
assign ((resid 26 and name HN )) ( (resid 26 and name HG2 )) 3.68 1.88 0.37
assign ((resid 29 and name HN )) ( (resid 29 and name HG2* )) 3.24 1.44 0.32
assign ((resid 30 and name HN )) ( (resid 30 and name HG2* )) 3.25 1.45 0.33
assign ((resid 32 and name HN )) ( (resid 32 and name HG1 )) 4.34 2.54 0.43
assign ((resid 36 and name HN )) ( (resid 36 and name HG2 )) 3.88 2.08 0.39
assign ((resid 40 and name HN )) ( (resid 40 and name HG2 )) 4.79 2.99 0.48
assign ((resid 40 and name HN )) ( (resid 41 and name HG2 )) 5.19 3.39 0.52
assign ((resid 42 and name HN )) ( (resid 42 and name HG2 )) 4.20 2.40 0.42
assign ((resid 42 and name HN )) ( (resid 42 and name HG1 )) 4.20 2.40 0.42
assign ((resid 45 and name HN )) ( (resid 45 and name HG2* )) 3.87 2.07 0.39
assign ((resid 47 and name HN )) ( (resid 47 and name HG2 )) 4.10 2.30 0.41
assign ((resid 51 and name HN )) ( (resid 51 and name HG2* )) 3.57 1.77 0.36
assign ((resid 54 and name HN )) ( (resid 54 and name HG2* )) 4.07 2.27 0.41
assign ((resid 55 and name HN )) ( (resid 55 and name HG2 )) 5.04 3.24 0.50
assign ((resid 58 and name HN )) ( (resid 58 and name HG2 )) 4.33 2.53 0.43
assign ((resid 59 and name HN )) ( (resid 59 and name HG1 )) 3.84 2.04 0.38
assign ((resid 66 and name HN )) ( (resid 66 and name HG2* )) 3.85 2.05 0.38
assign ((resid 68 and name HN )) ( (resid 68 and name HG2* )) 3.40 1.60 0.34
assign ((resid 72 and name HN )) ( (resid 72 and name HG2* )) 3.78 1.98 0.38
assign ((resid 75 and name HN )) ( (resid 75 and name HG2 )) 4.48 2.68 0.45
assign ((resid 78 and name HN )) ( (resid 78 and name HG2* )) 3.22 1.42 0.32
assign ((resid 79 and name HN )) ( (resid 79 and name HG2 )) 4.18 2.38 0.42
assign ((resid 82 and name HN )) ( (resid 82 and name HG2 )) 3.93 2.13 0.39
assign ((resid 2 and name HN )) ( (resid 2 and name HG1 )) 4.75 2.95 0.47
assign ((resid 4 and name HN )) ( (resid 4 and name HG1 )) 4.29 2.49 0.43
assign ((resid 8 and name HN )) ( (resid 8 and name HG1 )) 4.00 2.20 0.40
assign ((resid 12 and name HN )) ( (resid 12 and name HG1 )) 4.24 2.44 0.42
assign ((resid 19 and name HN )) ( (resid 19 and name HG1 )) 4.19 2.39 0.42
assign ((resid 26 and name HN )) ( (resid 26 and name HG1 )) 3.22 1.42 0.32
assign ((resid 32 and name HN )) ( (resid 32 and name HG2 )) 4.64 2.84 0.46
assign ((resid 36 and name HN )) ( (resid 36 and name HG1 )) 3.88 2.08 0.39
assign ((resid 40 and name HN )) ( (resid 40 and name HG1 )) 4.79 2.99 0.48
assign ((resid 41 and name HN )) ( (resid 41 and name HG2 )) 3.36 1.56 0.34
assign ((resid 47 and name HN )) ( (resid 47 and name HG1 )) 4.10 2.30 0.41
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assign ((resid 52 and name HA )) ( (resid 62 and name HG1* )) 4.06 2.26 0.41
assign ((resid 52 and name HB* )) ( (resid 53 and name HN )) 3.52 1.72 0.35
assign ((resid 52 and name HB* )) ( (resid 60 and name HN )) 4.43 2.63 0.44
assign ((resid 52 and name HB* )) ( (resid 61 and name HA )) 3.85 2.05 0.38
assign ((resid 52 and name HD* )) ( (resid 59 and name HB* )) 4.57 2.77 0.46
assign ((resid 52 and name HD* )) ( (resid 59 and name HE* )) 4.07 2.27 0.41
assign ((resid 52 and name HD* )) ( (resid 79 and name HB* )) 5.34 3.54 0.53
assign ((resid 52 and name HE* )) ( (resid 59 and name HD* )) 4.23 2.43 0.42
assign ((resid 52 and name HE* )) ( (resid 59 and name HE* )) 4.73 2.93 0.47
assign ((resid 52 and name HE* )) ( (resid 79 and name HB* )) 3.69 1.89 0.37
assign ((resid 52 and name HE* )) ( (resid 79 and name HG* )) 3.78 1.98 0.38
assign ((resid 53 and name HN )) ( (resid 53 and name HG* )) 3.90 2.10 0.39
assign ((resid 53 and name HN )) ( (resid 60 and name HB* )) 4.79 2.99 0.48
assign ((resid 53 and name HN )) ( (resid 62 and name HG1* )) 4.20 2.40 0.42
assign ((resid 53 and name HB* )) ( (resid 53 and name HD* )) 3.17 1.37 0.32
assign ((resid 53 and name HB* )) ( (resid 53 and name HE )) 4.07 2.27 0.41
assign ((resid 53 and name HB* )) ( (resid 54 and name HN )) 3.66 1.86 0.37
assign ((resid 53 and name HB* )) ( (resid 60 and name HN )) 5.34 3.54 0.53
assign ((resid 53 and name HB* )) ( (resid 62 and name HD1* )) 4.41 2.61 0.44
assign ((resid 53 and name HB* )) ( (resid 77 and name HD2 )) 5.11 3.31 0.51
assign ((resid 53 and name HG* )) ( (resid 54 and name HN )) 4.82 3.02 0.48
assign ((resid 53 and name HG* )) ( (resid 62 and name HD1* )) 3.73 1.93 0.37
assign ((resid 53 and name HD* )) ( (resid 62 and name HD1* )) 3.67 1.87 0.37
assign ((resid 53 and name HD* )) ( (resid 71 and name HD2* )) 4.01 2.21 0.40
assign ((resid 53 and name HD* )) ( (resid 76 and name HD2* )) 4.16 2.36 0.42
assign ((resid 54 and name HG2* )) ( (resid 57 and name HA* )) 3.74 1.94 0.37
assign ((resid 54 and name HG12 )) ( (resid 59 and name HB* )) 4.73 2.93 0.47
assign ((resid 54 and name HD1* )) ( (resid 59 and name HB* )) 4.67 2.87 0.47
assign ((resid 55 and name HN )) ( (resid 55 and name HG* )) 4.38 2.58 0.44
assign ((resid 55 and name HN )) ( (resid 56 and name HB* )) 5.13 3.33 0.51
assign ((resid 55 and name HN )) ( (resid 58 and name HB* )) 5.25 3.45 0.53
assign ((resid 55 and name HB* )) ( (resid 56 and name HN )) 4.04 2.24 0.40
assign ((resid 55 and name HB* )) ( (resid 56 and name HB* )) 5.18 3.38 0.52
assign ((resid 55 and name HG* )) ( (resid 55 and name HE* )) 2.98 1.18 0.30
assign ((resid 55 and name HG* )) ( (resid 56 and name HN )) 3.99 2.19 0.40
assign ((resid 55 and name HG* )) ( (resid 56 and name HB* )) 4.26 2.46 0.43
assign ((resid 56 and name HA )) ( (resid 57 and name HA* )) 4.88 3.08 0.49
assign ((resid 56 and name HB* )) ( (resid 57 and name HN )) 4.03 2.23 0.40
assign ((resid 58 and name HN )) ( (resid 58 and name HB* )) 3.10 1.30 0.31
assign ((resid 58 and name HN )) ( (resid 58 and name HG* )) 3.58 1.78 0.36
assign ((resid 58 and name HA )) ( (resid 58 and name HG* )) 3.51 1.71 0.35
assign ((resid 58 and name HA )) ( (resid 59 and name HB* )) 4.65 2.85 0.47
assign ((resid 58 and name HB* )) ( (resid 59 and name HN )) 3.46 1.66 0.35
assign ((resid 58 and name HB* )) ( (resid 60 and name HN )) 5.34 3.54 0.53
assign ((resid 58 and name HG* )) ( (resid 59 and name HN )) 4.34 2.54 0.43
assign ((resid 59 and name HN )) ( (resid 59 and name HB* )) 3.06 1.26 0.31
assign ((resid 59 and name HN )) ( (resid 59 and name HD* )) 4.02 2.22 0.40
assign ((resid 59 and name HA )) ( (resid 59 and name HD* )) 4.45 2.65 0.44
assign ((resid 59 and name HB* )) ( (resid 59 and name HD* )) 3.20 1.40 0.32
assign ((resid 59 and name HB* )) ( (resid 59 and name HE* )) 4.28 2.48 0.43
assign ((resid 59 and name HB* )) ( (resid 60 and name HN )) 4.12 2.32 0.41
assign ((resid 59 and name HG1 )) ( (resid 59 and name HE* )) 3.60 1.80 0.36
assign ((resid 60 and name HN )) ( (resid 60 and name HB* )) 3.34 1.54 0.33
assign ((resid 60 and name HN )) ( (resid 60 and name HG* )) 4.72 2.92 0.47
assign ((resid 60 and name HN )) ( (resid 60 and name HD* )) 4.78 2.98 0.48
assign ((resid 60 and name HA )) ( (resid 60 and name HD* )) 3.71 1.91 0.37
assign ((resid 60 and name HA )) ( (resid 61 and name HG* )) 4.66 2.86 0.47
assign ((resid 60 and name HB* )) ( (resid 60 and name HD* )) 3.00 1.20 0.30
assign ((resid 60 and name HB* )) ( (resid 61 and name HD* )) 4.38 2.58 0.44
assign ((resid 60 and name HG* )) ( (resid 61 and name HD* )) 4.32 2.52 0.43
assign ((resid 60 and name HD* )) ( (resid 61 and name HD* )) 4.76 2.96 0.48
assign ((resid 61 and name HA )) ( (resid 62 and name HG1* )) 4.40 2.60 0.44
assign ((resid 61 and name HB* )) ( (resid 62 and name HN )) 3.60 1.80 0.36
assign ((resid 61 and name HG* )) ( (resid 62 and name HN )) 4.75 2.95 0.47
assign ((resid 62 and name HN )) ( (resid 62 and name HG1* )) 3.52 1.72 0.35
assign ((resid 62 and name HG2* )) ( (resid 62 and name HG1* )) 3.19 1.39 0.32
assign ((resid 64 and name HN )) ( (resid 64 and name HB* )) 3.21 1.41 0.32
assign ((resid 64 and name HB* )) ( (resid 64 and name HD1 )) 3.26 1.46 0.33
assign ((resid 65 and name HN )) ( (resid 65 and name HB* )) 3.21 1.41 0.32
assign ((resid 65 and name HB* )) ( (resid 66 and name HN )) 4.23 2.43 0.42
assign ((resid 67 and name HB1 )) ( (resid 69 and name HB* )) 4.64 2.84 0.46
assign ((resid 68 and name HN )) ( (resid 68 and name HG1* )) 4.76 2.96 0.48
assign ((resid 68 and name HN )) ( (resid 69 and name HB* )) 5.34 3.54 0.53
assign ((resid 68 and name HA )) ( (resid 71 and name HB* )) 4.99 3.19 0.50
assign ((resid 68 and name HG2* )) ( (resid 68 and name HG1* )) 3.37 1.57 0.34
assign ((resid 68 and name HG1* )) ( (resid 69 and name HN )) 5.15 3.35 0.52
assign ((resid 68 and name HG1* )) ( (resid 72 and name HA )) 5.34 3.54 0.53
assign ((resid 69 and name HN )) ( (resid 69 and name HB* )) 3.57 1.77 0.36
assign ((resid 70 and name HN )) ( (resid 70 and name HB* )) 3.21 1.41 0.32
assign ((resid 70 and name HB* )) ( (resid 71 and name HN )) 4.36 2.56 0.44
assign ((resid 71 and name HA )) ( (resid 74 and name HG* )) 4.13 2.33 0.41
assign ((resid 71 and name HB* )) ( (resid 72 and name HA )) 5.34 3.54 0.53
assign ((resid 71 and name HB* )) ( (resid 74 and name HN )) 4.95 3.15 0.49
assign ((resid 71 and name HB* )) ( (resid 74 and name HG* )) 4.50 2.70 0.45
assign ((resid 71 and name HB* )) ( (resid 76 and name HD1* )) 3.49 1.69 0.35
assign ((resid 71 and name HB* )) ( (resid 76 and name HD2* )) 3.44 1.64 0.34
assign ((resid 71 and name HD2* )) ( (resid 74 and name HG* )) 3.91 2.11 0.39
assign ((resid 72 and name HA )) ( (resid 74 and name HG* )) 5.34 3.54 0.53
assign ((resid 72 and name HG2* )) ( (resid 73 and name HA* )) 3.80 2.00 0.38
assign ((resid 73 and name HN )) ( (resid 74 and name HG* )) 5.25 3.45 0.53
assign ((resid 74 and name HN )) ( (resid 74 and name HB* )) 3.12 1.32 0.31
assign ((resid 74 and name HN )) ( (resid 74 and name HG* )) 3.23 1.43 0.32
assign ((resid 74 and name HA )) ( (resid 75 and name HG* )) 5.18 3.38 0.52
assign ((resid 74 and name HB* )) ( (resid 75 and name HN )) 3.17 1.37 0.32
assign ((resid 74 and name HG* )) ( (resid 76 and name HD2* )) 5.14 3.34 0.51
assign ((resid 75 and name HN )) ( (resid 75 and name HB* )) 3.02 1.22 0.30
assign ((resid 75 and name HN )) ( (resid 75 and name HG* )) 3.80 2.00 0.38
assign ((resid 75 and name HG* )) ( (resid 76 and name HN )) 4.29 2.49 0.43
assign ((resid 79 and name HN )) ( (resid 79 and name HB* )) 3.51 1.71 0.35
assign ((resid 79 and name HB* )) ( (resid 80 and name HN )) 3.50 1.70 0.35
assign ((resid 79 and name HG* )) ( (resid 80 and name HN )) 4.48 2.68 0.45
assign ((resid 82 and name HN )) ( (resid 82 and name HB* )) 3.08 1.28 0.31
assign ((resid 82 and name HB* )) ( (resid 83 and name HN )) 3.42 1.62 0.34
assign ((resid 82 and name HB* )) ( (resid 84 and name HN )) 4.03 2.23 0.40
assign ((resid 83 and name HN )) ( (resid 83 and name HB* )) 3.20 1.40 0.32
assign ((resid 83 and name HN )) ( (resid 84 and name HG* )) 4.35 2.55 0.44
assign ((resid 83 and name HB* )) ( (resid 83 and name HD2* )) 3.05 1.25 0.31
assign ((resid 83 and name HB* )) ( (resid 84 and name HN )) 4.40 2.60 0.44
assign ((resid 84 and name HN )) ( (resid 84 and name HG* )) 3.38 1.58 0.34
assign ((resid 84 and name HA )) ( (resid 85 and name HG* )) 4.61 2.81 0.46
assign ((resid 84 and name HA )) ( (resid 85 and name HD* )) 2.86 1.06 0.29
assign ((resid 84 and name HB )) ( (resid 85 and name HD* )) 4.39 2.59 0.44
assign ((resid 84 and name HG* )) ( (resid 85 and name HD* )) 3.82 2.02 0.38
assign ((resid 85 and name HB* )) ( (resid 86 and name HN )) 4.05 2.25 0.41
assign ((resid 86 and name HN )) ( (resid 86 and name HD* )) 4.84 3.04 0.48
assign ((resid 86 and name HA )) ( (resid 86 and name HD* )) 3.91 2.11 0.39
list of removed NOE constraints
2-> SER 69 HN - SER 69 HB2 1.80 4.51 # NoRestrctn I [2.00 4.30] -- intra
6-> ILE 10 HN - ILE 10 HB 1.80 4.61 # NoRestrctn I [2.00 4.30] -- intra
10-> THR 21 HN - THR 21 HB 1.80 4.59 # NoRestrctn I [2.00 4.30] -- intra
16-> ILE 45 HN - ILE 45 HB 1.80 4.41 # NoRestrctn I [2.00 4.30] -- intra
25-> MET 2 HN - MET 2 HB2 1.80 4.55 # NoRestrctn I [2.00 4.30] -- intra
27-> SER 5 HN - SER 5 HB2 1.80 4.41 # NoRestrctn I [2.00 4.30] -- intra
29-> PHE 14 HN - PHE 14 HB2 1.80 4.46 # NoRestrctn I [2.00 4.30] -- intra
31-> ARG 20 HN - ARG 20 HB2 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
32-> ARG 26 HN - ARG 26 HB2 1.80 4.52 # NoRestrctn I [2.00 4.30] -- intra
45-> CYS 49 HN - CYS 49 HB2 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
49-> LYS 60 HN - LYS 60 HB2 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
55-> LEU 76 HN - LEU 76 HB1 1.80 4.58 # NoRestrctn I [2.00 4.30] -- intra
56-> HIS 77 HN - HIS 77 HB1 1.80 4.61 # NoRestrctn I [2.00 4.30] -- intra
57-> GLU 79 HN - GLU 79 HB2 1.80 4.54 # NoRestrctn I [2.00 4.30] -- intra
61-> MET 2 HN - MET 2 HB1 1.80 4.55 # NoRestrctn I [2.00 4.30] -- intra
65-> PHE 14 HN - PHE 14 HB1 1.80 4.46 # NoRestrctn I [2.00 4.30] -- intra
67-> ARG 20 HN - ARG 20 HB1 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
79-> CYS 49 HN - CYS 49 HB1 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
83-> LYS 60 HN - LYS 60 HB1 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
87-> SER 69 HN - SER 69 HB1 1.80 4.51 # NoRestrctn I [2.00 4.30] -- intra
92-> HIS 77 HN - HIS 77 HB2 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
93-> GLU 79 HN - GLU 79 HB1 1.80 4.54 # NoRestrctn I [2.00 4.30] -- intra
258-> LEU 86 HN - LEU 86 HD1* 1.80 6.05 # NoRestrctn I [2.29 6.01] -- intra
259-> LEU 86 HN - LEU 86 HD2* 1.80 6.05 # NoRestrctn I [2.29 6.01] -- intra
299-> ASN 17 HB2 - ASN 17 HD21 1.80 4.32 # NoRestrctn I [2.10 3.57] -- intra
300-> ASN 17 HB1 - ASN 17 HD21 1.80 4.32 # NoRestrctn I [2.10 3.57] -- intra
377-> LEU 39 HN - MET 40 HA 1.80 5.83 # NoRestrctn S [2.00 3.99] -- sequential
460-> LEU 71 HN - THR 72 HA 1.80 5.48 # NoRestrctn S [2.00 3.99] -- sequential
689-> LYS 36 HN - LYS 37 HA 1.80 6.05 # NoRestrctn S [2.00 3.99] -- sequential
699-> ARG 20 HN - THR 21 HA 1.80 5.62 # NoRestrctn S [2.00 3.99] -- sequential
700-> CYS 27 HN - GLY 28 HA1 1.80 6.05 # NoRestrctn S [2.00 3.99] -- sequential
733-> LEU 81 HA - LEU 81 HG 1.80 4.30 # NoRestrctn I [2.06 4.26] -- intra
743-> MET 40 HA - MET 40 HG2 1.80 4.66 # NoRestrctn I [2.06 4.60] -- intra
748-> GLU 79 HA - GLU 79 HG2 1.80 4.68 # NoRestrctn I [2.06 4.60] -- intra
752-> MET 40 HA - MET 40 HG1 1.80 4.66 # NoRestrctn I [2.06 4.60] -- intra
756-> GLU 79 HA - GLU 79 HG1 1.80 4.68 # NoRestrctn I [2.06 4.60] -- intra
759-> LEU 39 HA - LEU 39 HG 1.80 4.51 # NoRestrctn I [2.06 4.26] -- intra
760-> LEU 71 HA - LEU 71 HG 1.80 4.69 # NoRestrctn I [2.06 4.26] -- intra
800-> ARG 26 HA - ARG 26 HG1 1.80 4.61 # NoRestrctn I [2.06 4.60] -- intra
803-> LYS 60 HN - LYS 60 HG2 1.80 6.05 # NoRestrctn I [2.35 6.01] -- intra
804-> LYS 60 HN - LYS 60 HG1 1.80 6.05 # NoRestrctn I [2.35 6.01] -- intra
818-> SER 5 HN - SER 5 HB1 1.80 4.41 # NoRestrctn I [2.00 4.30] -- intra
820-> ARG 26 HN - ARG 26 HB1 1.80 4.52 # NoRestrctn I [2.00 4.30] -- intra
861-> ILE 54 HB - ILE 54 HD1* 1.80 4.02 # NoRestrctn I [2.63 3.78] -- intra
862-> ILE 62 HB - ILE 62 HD1* 1.80 4.09 # NoRestrctn I [2.63 3.78] -- intra
873-> ILE 54 HA - ILE 54 HG2* 1.80 3.99 # NoRestrctn I [2.63 3.78] -- intra
875-> ILE 68 HA - ILE 68 HG2* 1.80 4.37 # NoRestrctn I [2.63 3.78] -- intra
1176-> ILE 45 HA - PRO 46 HD2 1.80 4.00 # NoRestrctn S [2.00 3.95] -- sequential
1238-> SER 5 HA - PRO 6 HD2 1.80 4.08 # NoRestrctn S [2.00 3.95] -- sequential
1239-> SER 5 HA - PRO 6 HD1 1.80 4.08 # NoRestrctn S [2.00 3.95] -- sequential
1242-> LEU 15 HA - PRO 16 HD1 1.80 4.19 # NoRestrctn S [2.00 3.95] -- sequential
1329-> ILE 68 HN - ILE 68 HG12 1.80 6.05 # NoRestrctn I [2.35 6.01] -- intra
1330-> ILE 68 HN - ILE 68 HG11 1.80 6.05 # NoRestrctn I [2.35 6.01] -- intra
1370-> ILE 45 HA - PRO 46 HD1 1.80 4.00 # NoRestrctn S [2.00 3.95] -- sequential
1455-> HIS 77 HB2 - HIS 77 HD2 1.80 4.36 # NoRestrctn I [2.72 4.00] -- intra
1650-> MET 40 HA - MET 40 HG* 1.80 4.04 # NoRestrctn I [2.23 4.01] -- intra
1658-> ARG 42 HN - GLY 43 HA* 1.80 5.28 # NoRestrctn S [2.00 3.55] -- sequential
1711-> ARG 53 HA - ARG 53 HG* 1.80 4.06 # NoRestrctn I [2.23 4.01] -- intra
1771-> ILE 68 HA - ILE 68 HG1* 1.80 4.02 # NoRestrctn I [2.23 4.01] -- intra
1791-> GLU 74 HA - GLU 74 HG* 1.80 4.02 # NoRestrctn I [2.23 4.01] -- intra
1799-> GLU 79 HA - GLU 79 HG* 1.80 4.10 # NoRestrctn I [2.23 4.01] -- intra
1815-> LEU 86 HN - LEU 86 HB* 1.80 3.97 # NoRestrctn I [2.29 3.93] -- intra
====== TOTAL ======: 62
table of distance constraints violations
Residual Violations greater than 0.10
20-> ILE 62 HN - ILE 62 HB [ 1.80 3.72] 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 0.10 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
77-> ILE 45 HB - GLU 47 HN [ 1.80 3.54] 0.00 0.53 1.06 0.62 0.91 0.59 0.43 0.54 0.52 1.07 0.46 0.91 0.00 0.35 0.59 0.55 1.02 0.00 0.57 0.44 - 17 [ 0.35 .. 1.07]
138-> LYS 4 HA - SER 5 HN [ 1.80 3.29] 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.17]
184-> LEU 35 HN - LEU 35 HG [ 1.80 3.76] 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 - 2 [ 0.28 .. 0.46]
188-> LEU 81 HN - LEU 81 HG [ 1.80 3.61] 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 0.79 0.00 0.00 0.00 0.00 - 1 [ 0.79 .. 0.79]
190-> MET 2 HN - MET 2 HG2 [ 1.80 5.22] 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.12 0.00 0.12 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.10 .. 0.12]
204-> THR 21 HN - THR 21 HG2* [ 1.80 3.63] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.33 .. 0.33]
207-> ARG 26 HN - ARG 26 HG2 [ 1.80 4.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.41 0.61 0.00 0.43 0.00 0.00 0.00 0.64 0.00 0.61 0.41 - 7 [ 0.38 .. 0.64]
211-> LYS 36 HN - LYS 36 HG2 [ 1.80 4.27] 0.22 0.21 0.23 0.00 0.00 0.00 0.22 0.00 0.21 0.22 0.20 0.20 0.25 0.22 0.22 0.23 0.00 0.21 0.22 0.22 - 15 [ 0.20 .. 0.25]
213-> MET 40 HN - MET 41 HG2 [ 1.80 5.71] 0.47 0.49 0.49 0.30 0.56 0.00 0.35 0.00 0.60 0.42 0.48 0.00 0.35 0.44 0.38 0.38 0.00 0.59 0.54 0.37 - 16 [ 0.30 .. 0.60]
222-> LYS 59 HN - LYS 59 HG3 [ 1.80 4.22] 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.31 0.00 0.00 0.00 0.00 0.28 0.00 - 4 [ 0.28 .. 0.35]
229-> GLU 82 HN - GLU 82 HG2 [ 1.80 4.32] 0.00 0.32 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.34 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.58 - 5 [ 0.23 .. 0.58]
235-> ARG 26 HN - ARG 26 HG3 [ 1.80 3.54] 0.89 0.88 0.89 0.00 0.86 0.00 0.88 1.14 0.00 1.06 1.32 0.00 1.02 0.87 0.89 0.89 1.31 0.88 1.31 1.08 - 16 [ 0.86 .. 1.32]
237-> LYS 36 HN - LYS 36 HG3 [ 1.80 4.27] 0.22 0.22 0.19 0.00 0.00 0.00 0.23 0.00 0.19 0.20 0.23 0.22 0.20 0.20 0.21 0.20 0.00 0.20 0.20 0.19 - 15 [ 0.19 .. 0.23]
244-> ILE 54 HG2* - LYS 59 HN [ 1.80 5.09] 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 0.48 0.20 0.00 0.00 0.00 0.00 0.20 - 3 [ 0.20 .. 0.48]
246-> GLU 82 HN - GLU 82 HG3 [ 1.80 4.32] 0.00 0.42 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.41 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.34 .. 0.42]
252-> ILE 45 HN - ILE 45 HD1* [ 1.80 4.50] 0.00 0.00 0.41 0.00 0.40 0.00 0.00 0.00 0.00 0.40 0.00 0.35 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 - 5 [ 0.35 .. 0.41]
262-> ARG 12 HN - ARG 12 HD2 [ 1.80 5.38] 0.73 0.72 0.69 0.70 0.00 0.72 0.73 0.00 0.69 0.00 0.67 0.70 0.00 0.74 0.00 0.67 0.00 0.72 0.72 0.00 - 13 [ 0.67 .. 0.74]
265-> ARG 20 HN - ARG 20 HD2 [ 1.80 6.05] 0.50 0.48 0.49 0.50 0.00 0.00 0.51 0.00 0.50 0.00 0.49 0.50 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 - 10 [ 0.48 .. 0.51]
266-> ARG 20 HN - ARG 20 HD3 [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.34 .. 0.34]
271-> LEU 71 HN - LEU 71 HD2* [ 1.80 3.72] 0.03 0.04 0.00 0.01 0.03 0.03 0.07 0.02 0.03 0.05 0.06 0.03 0.02 0.10 0.00 0.00 0.00 0.00 0.00 0.00 - 14 [ 0.00 .. 0.10]
280-> ILE 54 HG12 - LYS 59 HN [ 1.80 5.98] 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 0.36 0.00 0.00 0.00 0.00 0.00 1.24 - 2 [ 0.36 .. 1.24]
283-> ILE 45 HN - ILE 45 HG13 [ 1.80 4.35] 0.00 0.00 0.36 0.00 0.36 0.00 0.00 0.00 0.00 0.36 0.00 0.34 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 - 5 [ 0.34 .. 0.36]
287-> ILE 45 HN - ILE 45 HG12 [ 1.80 3.99] 0.00 0.00 0.57 0.01 0.59 0.01 0.00 0.09 0.07 0.57 0.07 0.59 0.00 0.00 0.02 0.00 0.56 0.00 0.06 0.00 - 12 [ 0.01 .. 0.59]
292-> VAL 13 HG1* - VAL 78 HN [ 1.80 4.03] 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 0.65 0.06 0.00 0.00 - 2 [ 0.06 .. 0.65]
294-> VAL 29 HN - ILE 68 HG2* [ 1.80 4.02] 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 - 2 [ 0.04 .. 0.10]
298-> VAL 80 HN - VAL 80 HG2* [ 1.80 3.43] 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.38 0.00 0.00 0.35 0.40 0.00 0.00 0.34 0.00 0.00 - 5 [ 0.34 .. 0.40]
313-> ARG 53 HE - ILE 62 HD1* [ 1.80 4.98] 0.00 0.00 0.00 0.51 0.63 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.41 0.56 0.00 0.51 0.00 0.70 0.00 0.00 - 7 [ 0.41 .. 0.70]
314-> ARG 53 HE - LEU 76 HD2* [ 1.80 5.60] 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.01 2.73 0.11 0.00 - 5 [ 0.01 .. 2.73]
317-> ARG 12 HE - VAL 22 HG2* [ 1.80 5.26] 0.18 0.00 0.00 0.16 0.00 0.03 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.28 0.43 0.50 0.00 0.00 - 7 [ 0.03 .. 0.50]
318-> ILE 10 HD1* - ARG 12 HE [ 1.80 5.30] 2.66 0.90 0.81 2.02 1.25 1.82 1.86 1.82 0.92 0.91 2.15 0.82 0.00 1.91 0.00 2.58 0.21 2.40 2.13 1.76 - 18 [ 0.21 .. 2.66]
322-> GLY 43 HN - LEU 44 HD1* [ 1.80 5.27] 0.02 0.00 0.18 0.00 0.07 0.04 0.00 0.12 0.00 0.20 0.00 0.00 0.00 0.06 0.09 0.00 0.04 0.00 0.03 0.00 - 11 [ 0.00 .. 0.20]
333-> ILE 45 HG13 - GLU 47 HN [ 1.80 4.38] 0.00 1.50 0.00 1.47 0.00 1.60 1.12 1.56 1.45 0.00 1.52 0.00 0.00 1.07 1.63 1.17 0.00 0.00 1.59 1.12 - 12 [ 1.07 .. 1.63]
351-> ASP 65 HN - THR 66 HB [ 1.80 5.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 - 1 [ 0.44 .. 0.44]
355-> VAL 31 HG2* - ASP 65 HN [ 1.80 5.80] 0.00 0.00 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
358-> PRO 9 HB2 - GLY 73 HN [ 1.80 5.08] 1.65 0.88 1.52 1.10 1.45 0.00 0.00 1.64 0.59 1.53 1.46 0.10 0.03 1.46 0.45 1.56 0.73 0.08 1.04 0.75 - 18 [ 0.03 .. 1.65]
362-> ILE 45 HB - CYS 48 HN [ 1.80 4.60] 0.00 0.00 0.30 0.00 0.48 0.00 0.00 0.00 0.00 0.37 0.00 0.40 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 - 5 [ 0.30 .. 0.48]
363-> ILE 45 HG13 - CYS 48 HN [ 1.80 4.19] 0.00 1.02 0.74 1.33 1.03 1.06 0.92 1.10 1.32 0.75 1.10 1.01 0.00 0.93 1.13 1.20 0.85 0.00 1.10 0.98 - 17 [ 0.74 .. 1.33]
364-> ILE 45 HG12 - CYS 48 HN [ 1.80 4.74] 0.00 0.61 0.00 0.84 0.00 0.72 0.43 0.76 0.89 0.00 0.78 0.00 0.00 0.42 0.82 0.76 0.00 0.00 0.77 0.48 - 12 [ 0.42 .. 0.89]
365-> CYS 48 HN - LEU 81 HD1* [ 1.80 6.05] 0.79 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 1.59 0.10 0.00 0.00 0.00 - 3 [ 0.10 .. 1.59]
368-> THR 30 HA - THR 66 HN [ 1.80 5.14] 0.00 0.00 0.09 0.00 0.07 0.04 0.00 0.00 0.11 0.07 0.02 0.10 0.25 0.00 0.33 0.03 0.09 0.00 0.15 0.00 - 12 [ 0.02 .. 0.33]
374-> ILE 62 HG2* - THR 66 HN [ 1.80 5.07] 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 1.35 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.35 .. 1.35]
407-> MET 41 HG2 - ARG 42 HN [ 1.80 5.17] 0.21 0.00 0.05 0.06 0.18 0.00 0.10 0.00 0.19 0.08 0.00 0.00 0.08 0.17 0.10 0.00 0.00 0.17 0.18 0.06 - 13 [ 0.05 .. 0.21]
408-> MET 41 HG3 - ARG 42 HN [ 1.80 5.58] 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 - 3 [ 0.10 .. 0.18]
419-> CYS 49 HN - LEU 81 HG [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 - 1 [ 0.22 .. 0.22]
420-> CYS 49 HN - LEU 81 HD1* [ 1.80 4.39] 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.43 0.00 0.00 1.94 0.00 0.00 0.00 0.00 - 4 [ 0.39 .. 1.94]
425-> VAL 51 HN - LEU 81 HD1* [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.02 0.00 - 2 [ 0.02 .. 0.70]
428-> ARG 12 HB2 - GLU 75 HN [ 1.80 5.24] 1.41 1.24 1.16 0.87 1.19 1.43 1.18 1.47 1.19 0.00 1.50 1.24 1.39 1.25 0.00 0.66 0.00 1.21 0.97 1.23 - 17 [ 0.66 .. 1.50]
431-> ARG 32 HB3 - ASP 33 HN [ 1.80 4.06] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
462-> THR 66 HG2* - LEU 71 HN [ 1.80 5.94] 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 1.80 0.00 0.00 - 1 [ 1.80 .. 1.80]
473-> VAL 80 HG1* - ASN 83 HN [ 1.80 5.47] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.38 .. 0.38]
481-> LEU 76 HD2* - HIS 77 HN [ 1.80 4.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 - 1 [ 0.13 .. 0.13]
504-> VAL 80 HG1* - GLU 82 HN [ 1.80 4.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.38 0.00 0.00 0.04 0.48 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.04 .. 0.48]
512-> TYR 52 HN - HIS 77 HB2 [ 1.80 5.03] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.04 .. 0.45]
514-> TYR 52 HN - ILE 62 HB [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.98 .. 0.98]
527-> LEU 35 HD2* - ALA 38 HN [ 1.80 4.60] 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 - 3 [ 0.06 .. 1.36]
531-> PRO 9 HG2 - ARG 26 HN [ 1.80 5.87] 0.87 0.19 1.69 0.09 1.70 0.00 0.00 1.64 0.11 1.22 0.52 0.00 0.00 1.44 1.87 0.83 0.60 0.00 0.03 0.18 - 15 [ 0.03 .. 1.87]
544-> VAL 51 HG1* - ILE 62 HN [ 1.80 4.89] 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 0.67 0.00 0.00 - 1 [ 0.67 .. 0.67]
547-> ILE 54 HD1* - LYS 59 HN [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.18 1.19 0.81 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.18 .. 1.19]
560-> ALA 50 HN - VAL 78 HA [ 1.80 4.72] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 - 1 [ 0.11 .. 0.11]
574-> THR 66 HG2* - TRP 70 HN [ 1.80 5.04] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 - 1 [ 1.81 .. 1.81]
576-> TRP 70 HN - LEU 71 HD2* [ 1.80 4.91] 0.12 0.12 0.11 0.12 0.17 0.14 0.25 0.17 0.09 0.16 0.16 0.16 0.23 0.16 0.11 0.15 0.12 0.19 0.16 0.12 - 20 [ 0.09 .. 0.25]
583-> LEU 15 HN - THR 21 HG2* [ 1.80 5.09] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.78 .. 1.78]
594-> VAL 51 HG2* - GLU 79 HN [ 1.80 5.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 - 1 [ 0.29 .. 0.29]
597-> ARG 32 HG3 - TRP 64 HN [ 1.80 6.05] 1.25 1.49 0.14 1.27 1.11 1.56 1.41 1.34 1.38 1.37 1.62 0.74 0.42 1.05 1.27 0.49 1.44 0.00 1.44 0.68 - 19 [ 0.14 .. 1.62]
599-> ILE 62 HG2* - TRP 64 HN [ 1.80 5.44] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.60 .. 1.60]
610-> ILE 54 HG12 - LYS 60 HN [ 1.80 5.60] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 - 1 [ 0.13 .. 0.13]
612-> ILE 54 HD1* - LYS 60 HN [ 1.80 6.05] 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.02 0.19 0.00 0.00 0.05 0.33 0.32 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.01 .. 0.33]
617-> PRO 9 HG2 - ALA 25 HN [ 1.80 4.91] 0.61 0.00 0.98 0.00 0.94 0.00 0.00 0.71 0.00 0.64 0.48 0.00 0.00 0.65 0.81 0.64 0.00 0.00 0.00 0.00 - 9 [ 0.48 .. 0.98]
619-> ALA 25 HN - ARG 26 HG2 [ 1.80 5.41] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 0.00 2.07 2.21 0.00 2.11 0.00 0.00 0.00 2.63 0.00 2.33 2.25 - 7 [ 2.07 .. 2.63]
627-> VAL 80 HG1* - LEU 81 HN [ 1.80 3.72] 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.15 .. 0.21]
629-> PHE 14 HN - LEU 76 HB2 [ 1.80 4.99] 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 0.40 0.00 0.00 - 1 [ 0.40 .. 0.40]
636-> ASP 67 HB2 - TRP 70 HE1 [ 1.80 5.13] 0.28 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 [ 0.28 .. 0.28]
638-> THR 66 HG2* - TRP 70 HE1 [ 1.80 6.05] 0.40 0.31 0.32 0.24 0.14 0.20 0.25 0.35 0.32 0.37 0.32 0.06 0.24 0.40 0.39 0.19 0.35 0.95 0.16 0.29 - 20 [ 0.06 .. 0.95]
645-> GLN 55 HG2 - ASP 56 HN [ 1.80 5.16] 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.08 0.12 0.00 0.00 0.00 0.04 0.27 0.00 - 6 [ 0.04 .. 0.27]
646-> GLN 55 HG3 - ASP 56 HN [ 1.80 5.16] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 - 1 [ 0.42 .. 0.42]
657-> PRO 46 HB2 - TRP 64 HE1 [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 - 1 [ 0.71 .. 0.71]
659-> TRP 64 HE1 - LEU 81 HD1* [ 1.80 5.30] 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 0.95 0.00 0.00 0.00 0.00 - 1 [ 0.95 .. 0.95]
660-> TRP 64 HE1 - VAL 78 HG2* [ 1.80 6.05] 0.24 0.08 0.34 0.39 0.11 0.00 0.13 0.00 0.31 0.00 0.09 0.17 0.20 0.00 0.44 0.01 0.06 0.56 0.27 0.00 - 15 [ 0.01 .. 0.56]
661-> VAL 51 HG1* - TRP 64 HE1 [ 1.80 6.05] 0.35 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.12 0.40 0.00 0.13 0.00 0.00 0.00 0.19 0.00 - 7 [ 0.12 .. 0.40]
662-> VAL 51 HG2* - TRP 64 HE1 [ 1.80 5.50] 0.00 0.73 0.81 0.00 0.84 0.44 0.71 0.53 0.00 0.79 0.66 0.00 0.00 0.34 0.00 0.54 0.79 0.00 0.00 0.58 - 12 [ 0.34 .. 0.84]
672-> ARG 32 HB3 - SER 34 HN [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
673-> SER 34 HN - LEU 35 HG [ 1.80 6.05] 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 - 2 [ 0.41 .. 0.51]
674-> SER 34 HN - LYS 36 HB3 [ 1.80 5.83] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.30 0.00 0.00 - 2 [ 0.03 .. 0.30]
681-> GLU 75 HN - LEU 76 HD2* [ 1.80 5.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 - 1 [ 1.96 .. 1.96]
696-> LYS 37 HN - MET 40 HB3 [ 1.80 6.05] 0.55 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 0.51 0.00 0.00 0.00 0.38 - 4 [ 0.20 .. 0.55]
714-> ASP 67 HN - TRP 70 HD1 [ 1.80 5.75] 1.31 0.76 0.62 0.65 0.42 0.39 0.60 0.71 0.58 0.76 0.85 0.46 0.27 0.74 0.56 0.82 0.27 0.00 0.42 0.55 - 19 [ 0.27 .. 1.31]
721-> PRO 9 HG3 - ALA 25 HN [ 1.80 5.79] 0.45 0.00 0.70 0.00 0.62 0.00 0.00 0.43 0.00 0.37 0.32 0.00 0.00 0.39 0.65 0.47 0.00 0.00 0.00 0.00 - 9 [ 0.32 .. 0.70]
730-> LYS 37 HB2 - MET 41 HN [ 1.80 6.05] 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.11 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.16]
773-> LEU 81 HA - LEU 81 HD2* [ 1.80 3.38] 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 0.50 0.00 0.00 0.00 0.00 - 1 [ 0.50 .. 0.50]
808-> ARG 32 HG2 - PRO 46 HG3 [ 1.80 4.91] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 - 4 [ 0.00 .. 1.31]
809-> ARG 32 HG2 - PRO 46 HG2 [ 1.80 4.91] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.60 .. 0.60]
810-> ILE 54 HG12 - LYS 59 HG3 [ 1.80 4.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.25 0.00 0.00 0.00 0.00 1.95 - 3 [ 0.25 .. 1.95]
811-> LEU 15 HD1* - THR 21 HG2* [ 1.80 3.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.28 .. 0.28]
934-> ARG 53 HG3 - LYS 60 HN [ 1.80 6.05] 0.00 0.00 0.00 0.05 0.00 0.00 0.04 0.00 0.06 0.00 0.00 0.00 0.09 0.30 0.00 0.04 0.00 0.01 0.00 0.00 - 7 [ 0.01 .. 0.30]
940-> LEU 15 HD1* - THR 21 HA [ 1.80 5.09] 0.02 0.06 0.00 0.00 0.06 0.00 0.01 0.44 0.27 0.13 0.25 0.13 0.00 0.09 0.08 0.00 0.94 0.00 0.21 0.02 - 14 [ 0.01 .. 0.94]
949-> LEU 35 HA - LEU 35 HD2* [ 1.80 3.61] 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 0.17 0.00 0.00 0.00 0.00 - 2 [ 0.17 .. 0.19]
954-> ILE 54 HD1* - LYS 59 HG3 [ 1.80 4.96] 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 1.59 0.30 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.30 .. 1.59]
955-> ILE 54 HD1* - LYS 59 HB2 [ 1.80 5.97] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.68 0.68 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.17 .. 0.68]
956-> ILE 54 HD1* - LYS 59 HA [ 1.80 4.72] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.04 1.06 0.47 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.04 .. 1.06]
958-> VAL 51 HG2* - ILE 62 HD1* [ 1.80 5.61] 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 0.35 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
959-> ARG 53 HD2 - ILE 62 HD1* [ 1.80 4.73] 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 1.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.00 .. 1.00]
962-> ILE 10 HD1* - ARG 12 HG2 [ 1.80 4.43] 2.73 1.32 1.22 2.31 1.33 2.19 2.28 2.29 1.15 0.00 2.60 1.22 2.18 2.30 0.00 2.72 0.00 2.41 2.49 2.07 - 17 [ 1.15 .. 2.73]
963-> ILE 10 HD1* - ARG 12 HG3 [ 1.80 4.43] 1.73 0.49 0.36 1.14 0.41 1.04 1.21 1.16 0.27 0.00 1.57 0.38 1.28 1.17 0.00 1.50 0.00 1.35 1.37 0.87 - 17 [ 0.27 .. 1.73]
964-> ILE 10 HD1* - VAL 22 HB [ 1.80 4.23] 0.02 0.21 0.34 0.00 0.21 0.00 0.00 0.07 0.20 0.05 0.09 0.22 0.10 0.00 0.00 0.03 0.25 0.00 0.02 0.03 - 14 [ 0.02 .. 0.34]
965-> ILE 10 HD1* - ARG 12 HD2 [ 1.80 4.62] 2.59 1.34 1.17 1.83 0.25 1.71 1.89 0.65 0.98 0.60 2.13 1.18 1.47 1.89 0.23 2.27 0.22 2.19 2.03 0.65 - 20 [ 0.22 .. 2.59]
966-> ILE 10 HD1* - VAL 11 HA [ 1.80 4.75] 0.19 0.00 0.00 0.14 0.00 0.11 0.05 0.17 0.00 0.16 0.15 0.00 0.04 0.18 0.00 0.22 0.00 0.25 0.26 0.16 - 13 [ 0.04 .. 0.26]
968-> VAL 23 HG2* - ILE 68 HD1* [ 1.80 3.60] 0.00 0.00 1.04 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.09 - 4 [ 0.09 .. 1.11]
972-> ALA 25 HA - ILE 68 HD1* [ 1.80 4.99] 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 0.25 0.00 0.00 - 1 [ 0.25 .. 0.25]
973-> SER 34 HB3 - ILE 68 HD1* [ 1.80 4.39] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.48 .. 0.48]
980-> VAL 51 HG1* - ILE 62 HG2* [ 1.80 4.32] 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 0.25 0.00 0.00 - 2 [ 0.00 .. 0.25]
985-> VAL 23 HG2* - ALA 38 HB* [ 1.80 5.07] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.36]
986-> LEU 35 HD2* - ALA 38 HB* [ 1.80 3.70] 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 - 2 [ 0.22 .. 0.29]
993-> ILE 45 HG2* - PRO 46 HD3 [ 1.80 4.38] 0.00 0.00 0.16 0.00 0.12 0.00 0.00 0.00 0.00 0.13 0.00 0.07 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 - 5 [ 0.07 .. 0.16]
996-> VAL 13 HB - THR 21 HG2* [ 1.80 3.71] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.68 .. 0.68]
1003-> VAL 11 HB - ALA 25 HB* [ 1.80 4.79] 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 0.15 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
1005-> PRO 9 HG2 - ALA 25 HB* [ 1.80 4.36] 0.35 0.00 0.06 0.00 0.14 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 - 5 [ 0.06 .. 0.35]
1009-> VAL 11 HB - VAL 23 HG2* [ 1.80 3.64] 0.00 0.00 1.16 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.33 - 4 [ 0.33 .. 1.16]
1012-> VAL 11 HA - VAL 23 HG2* [ 1.80 5.96] 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.03 - 4 [ 0.03 .. 0.61]
1015-> VAL 11 HN - VAL 23 HG2* [ 1.80 4.58] 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.20 - 4 [ 0.20 .. 0.57]
1022-> CYS 27 HA - ILE 68 HG2* [ 1.80 4.71] 0.48 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.04 0.00 0.29 0.00 0.00 - 5 [ 0.04 .. 0.48]
1026-> VAL 51 HG1* - ILE 62 HD1* [ 1.80 3.63] 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.52 0.00 0.00 1.42 0.00 0.81 - 5 [ 0.52 .. 1.42]
1027-> VAL 51 HG1* - LEU 76 HD2* [ 1.80 3.72] 0.00 0.91 0.96 0.00 0.88 0.58 1.06 0.86 0.00 0.60 0.85 0.00 0.00 0.84 0.00 0.64 0.00 0.00 0.00 0.54 - 11 [ 0.54 .. 1.06]
1028-> VAL 51 HG1* - ILE 62 HB [ 1.80 3.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.71 0.00 0.00 - 2 [ 0.13 .. 0.71]
1029-> VAL 51 HG1* - LEU 76 HB2 [ 1.80 4.47] 0.00 1.45 1.60 0.00 1.36 1.65 1.60 1.71 0.00 1.22 1.67 0.00 0.00 1.54 0.00 1.40 1.34 1.43 0.00 1.72 - 13 [ 1.22 .. 1.72]
1031-> VAL 51 HG1* - LEU 76 HA [ 1.80 4.99] 0.00 1.45 1.45 0.00 1.30 1.17 1.51 1.31 0.00 1.11 1.32 0.00 0.00 1.33 0.00 1.15 0.03 1.26 0.00 1.13 - 13 [ 0.03 .. 1.51]
1033-> VAL 51 HG1* - HIS 77 HN [ 1.80 5.08] 0.00 0.54 0.48 0.00 0.52 0.49 0.59 0.52 0.00 0.38 0.49 0.00 0.00 0.49 0.00 0.39 0.52 0.47 0.00 0.49 - 13 [ 0.38 .. 0.59]
1034-> VAL 51 HG2* - VAL 78 HG2* [ 1.80 3.25] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 - 1 [ 0.73 .. 0.73]
1036-> VAL 51 HG2* - LEU 76 HB3 [ 1.80 4.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 1.70 0.00 0.00 - 2 [ 0.05 .. 1.70]
1037-> VAL 51 HG2* - LEU 76 HB2 [ 1.80 5.10] 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.15 0.13 0.00 0.41 0.00 0.00 0.70 0.19 0.00 - 7 [ 0.13 .. 0.70]
1038-> VAL 51 HG2* - VAL 78 HA [ 1.80 4.63] 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 0.43 0.00 0.00 - 1 [ 0.43 .. 0.43]
1039-> VAL 51 HG2* - TRP 64 HZ2 [ 1.80 4.94] 0.00 0.27 0.20 0.00 0.26 0.00 0.18 0.00 0.00 0.17 0.12 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.08 - 8 [ 0.08 .. 0.27]
1048-> VAL 11 HG1* - LEU 76 HG [ 1.80 3.63] 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 1.44 0.00 0.00 - 1 [ 1.44 .. 1.44]
1068-> ARG 12 HN - VAL 22 HG1* [ 1.80 4.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 - 1 [ 0.27 .. 0.27]
1074-> GLU 79 HA - VAL 80 HG2* [ 1.80 4.53] 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.92 0.00 0.00 0.95 0.96 0.00 0.00 0.92 0.00 0.00 - 5 [ 0.92 .. 0.96]
1082-> ALA 50 HB* - GLU 79 HG2 [ 1.80 5.04] 1.38 0.98 1.05 1.08 0.93 0.74 0.82 0.69 1.15 1.11 0.82 1.04 0.00 0.83 0.55 0.99 1.13 0.00 0.97 0.71 - 18 [ 0.55 .. 1.38]
1083-> ALA 50 HB* - GLU 79 HG3 [ 1.80 5.04] 0.35 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.14 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 - 5 [ 0.01 .. 0.35]
1084-> ALA 50 HB* - LEU 81 HA [ 1.80 5.19] 0.09 0.00 0.00 0.00 0.00 0.02 0.39 0.00 0.00 0.00 0.20 0.13 0.04 0.00 0.21 0.00 0.14 0.00 0.00 0.00 - 8 [ 0.02 .. 0.39]
1096-> LEU 15 HD1* - ARG 42 HD2 [ 1.80 4.51] 1.01 0.00 0.00 0.59 0.90 0.97 1.09 0.00 0.89 0.00 0.00 0.81 0.69 1.30 0.71 0.00 0.92 0.73 0.82 0.00 - 13 [ 0.59 .. 1.30]
1097-> LEU 15 HD1* - ARG 42 HD3 [ 1.80 4.51] 1.10 0.00 0.00 0.60 0.90 1.17 1.24 0.00 1.15 0.00 0.00 1.11 0.96 1.40 1.03 0.00 1.01 0.95 1.01 0.00 - 13 [ 0.60 .. 1.40]
1100-> LEU 15 HD1* - ARG 42 HE [ 1.80 4.95] 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 0.11 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.11 .. 0.11]
1103-> LEU 35 HD1* - ALA 38 HB* [ 1.80 4.28] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
1104-> LEU 35 HD1* - TRP 64 HH2 [ 1.80 4.35] 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 - 2 [ 0.61 .. 0.73]
1108-> VAL 31 HA - SER 34 HB3 [ 1.80 5.03] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
1125-> PRO 61 HA - ILE 62 HB [ 1.80 5.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.53 .. 0.53]
1127-> VAL 80 HA - LEU 81 HG [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 - 1 [ 0.46 .. 0.46]
1147-> ARG 32 HB3 - TRP 64 HA [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 - 1 [ 0.25 .. 0.25]
1154-> ILE 45 HD1* - GLU 47 HA [ 1.80 5.98] 0.00 0.69 0.00 0.67 0.00 0.63 1.03 0.73 0.74 0.00 0.70 0.00 0.00 1.14 0.68 1.05 0.00 0.00 0.73 1.07 - 12 [ 0.63 .. 1.14]
1155-> GLU 47 HA - LEU 81 HD1* [ 1.80 6.05] 1.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.31 0.10 0.00 0.00 2.11 0.35 0.00 0.00 0.00 - 7 [ 0.02 .. 2.11]
1165-> CYS 49 HA - LEU 81 HG [ 1.80 5.03] 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 0.37 0.00 0.00 0.00 0.00 - 1 [ 0.37 .. 0.37]
1166-> CYS 49 HA - VAL 80 HG1* [ 1.80 5.03] 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.12 .. 0.15]
1168-> CYS 49 HA - LEU 81 HD1* [ 1.80 4.74] 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 0.29 0.00 0.00 0.00 0.00 - 1 [ 0.29 .. 0.29]
1169-> LEU 39 HD2* - CYS 49 HA [ 1.80 6.05] 0.00 0.08 0.58 0.13 0.00 0.00 0.00 0.00 0.32 0.23 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.05 .. 0.58]
1182-> ASP 33 HA - LYS 36 HE2 [ 1.80 6.05] 0.73 0.77 0.00 0.00 0.00 0.00 0.89 0.00 0.59 0.78 0.71 0.70 0.72 0.28 0.69 0.00 0.00 1.28 0.89 0.13 - 13 [ 0.13 .. 1.28]
1183-> ASP 33 HA - LYS 36 HE3 [ 1.80 6.05] 0.08 0.26 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.81 0.16 0.08 0.16 0.00 0.45 0.00 0.00 0.53 0.37 0.00 - 10 [ 0.08 .. 0.81]
1198-> THR 21 HG2* - ALA 38 HA [ 1.80 5.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 - 1 [ 0.28 .. 0.28]
1200-> ARG 12 HB2 - GLU 75 HA [ 1.80 4.37] 0.16 0.00 0.00 0.00 0.00 0.06 0.00 0.17 0.00 0.00 0.17 0.04 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.03 .. 0.17]
1201-> GLU 75 HA - LEU 76 HG [ 1.80 4.80] 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 1.66 0.00 0.00 - 1 [ 1.66 .. 1.66]
1219-> ARG 53 HA - LEU 76 HD2* [ 1.80 5.63] 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 0.53 0.00 0.00 - 1 [ 0.53 .. 0.53]
1221-> LEU 71 HA - GLU 74 HG2 [ 1.80 5.28] 0.27 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.27 .. 0.27]
1223-> LEU 71 HA - LEU 76 HD2* [ 1.80 5.36] 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 0.00 0.00 0.00 1.25 0.00 0.00 - 1 [ 1.25 .. 1.25]
1231-> ALA 50 HA - VAL 51 HG2* [ 1.80 5.38] 0.00 0.10 0.05 0.00 0.09 0.06 0.06 0.10 0.00 0.06 0.05 0.00 0.00 0.04 0.00 0.04 0.06 0.00 0.00 0.09 - 12 [ 0.04 .. 0.10]
1232-> ALA 50 HA - LEU 81 HD1* [ 1.80 4.98] 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 0.36 0.00 0.00 0.00 0.00 - 1 [ 0.36 .. 0.36]
1241-> VAL 23 HB - PRO 24 HD2 [ 1.80 3.72] 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 1.08 - 4 [ 0.54 .. 1.08]
1252-> ALA 25 HA - ARG 26 HG2 [ 1.80 5.87] 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.67 0.03 0.89 0.67 0.12 0.89 0.00 0.00 0.00 0.70 0.00 0.68 0.82 - 10 [ 0.03 .. 0.89]
1253-> ALA 25 HA - ARG 26 HG3 [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.75 0.37 0.00 0.77 0.00 0.00 0.00 0.35 0.00 0.38 0.70 - 7 [ 0.35 .. 0.77]
1263-> VAL 51 HG1* - LEU 76 HB3 [ 1.80 4.94] 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 0.66 0.00 0.00 - 1 [ 0.66 .. 0.66]
1265-> ARG 53 HD3 - LEU 76 HD2* [ 1.80 5.32] 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 0.84 2.60 0.00 0.00 - 2 [ 0.84 .. 2.60]
1266-> ARG 53 HD2 - LEU 76 HD2* [ 1.80 5.32] 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 1.44 0.00 0.00 - 1 [ 1.44 .. 1.44]
1267-> ARG 26 HD2 - VAL 29 HG2* [ 1.80 4.35] 0.59 0.35 0.22 0.00 0.89 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.11 0.70 0.00 0.30 0.00 0.00 - 9 [ 0.11 .. 0.89]
1268-> ARG 26 HD3 - VAL 29 HG2* [ 1.80 4.35] 0.91 0.84 0.81 0.00 1.21 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.72 0.96 0.00 0.82 0.00 0.00 - 9 [ 0.72 .. 1.21]
1274-> ASP 67 HB3 - SER 69 HA [ 1.80 6.05] 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
1284-> ILE 45 HD1* - GLU 47 HG3 [ 1.80 5.63] 0.00 0.27 0.00 0.14 0.00 0.15 0.05 0.08 0.29 0.00 0.24 0.00 0.00 0.97 0.46 0.20 0.00 0.00 0.16 0.20 - 12 [ 0.05 .. 0.97]
1285-> ILE 45 HD1* - GLU 47 HG2 [ 1.80 5.63] 0.00 1.34 0.00 1.22 0.00 1.20 1.46 1.21 1.40 0.00 1.37 0.00 0.00 0.28 0.37 1.62 0.00 0.00 1.26 1.61 - 12 [ 0.28 .. 1.62]
1286-> ARG 12 HB2 - GLU 75 HG2 [ 1.80 6.05] 0.42 0.20 0.43 0.13 0.00 0.51 0.56 0.78 0.13 0.00 0.23 0.43 0.00 0.44 0.00 0.21 0.00 0.36 0.24 0.34 - 15 [ 0.13 .. 0.78]
1290-> ARG 12 HD2 - GLU 75 HG2 [ 1.80 6.05] 0.00 0.15 0.19 0.06 0.00 0.47 0.32 0.92 0.32 0.00 0.30 0.25 0.00 0.32 0.00 0.21 0.00 0.00 0.08 0.41 - 13 [ 0.06 .. 0.92]
1291-> ARG 12 HD3 - GLU 75 HG2 [ 1.80 6.05] 0.50 0.54 0.64 0.47 0.00 0.79 0.76 0.00 0.53 0.00 0.57 0.67 0.00 0.73 0.00 0.54 0.00 0.41 0.49 0.00 - 13 [ 0.41 .. 0.79]
1297-> VAL 51 HB - ILE 62 HG2* [ 1.80 5.36] 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 1.37 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.37 .. 1.37]
1298-> VAL 51 HB - ILE 62 HD1* [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 - 3 [ 0.85 .. 0.94]
1318-> ARG 32 HB2 - TRP 64 HB2 [ 1.80 5.35] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 - 1 [ 0.63 .. 0.63]
1320-> ARG 32 HB3 - TRP 64 HB2 [ 1.80 5.95] 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 0.54 0.00 0.00 - 1 [ 0.54 .. 0.54]
1334-> ILE 45 HB - CYS 48 HB2 [ 1.80 5.61] 0.96 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.74 .. 1.22]
1335-> ILE 45 HB - CYS 48 HB3 [ 1.80 5.61] 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.07 0.00 0.00 - 4 [ 0.80 .. 1.07]
1338-> PRO 16 HG3 - VAL 80 HG2* [ 1.80 4.84] 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 0.03 0.02 0.00 0.00 0.15 0.00 0.00 - 4 [ 0.02 .. 0.15]
1340-> THR 66 HG2* - TRP 70 HB2 [ 1.80 5.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 - 1 [ 0.25 .. 0.25]
1341-> THR 66 HG2* - TRP 70 HB3 [ 1.80 5.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 - 1 [ 0.88 .. 0.88]
1354-> ARG 26 HA - CYS 27 HB3 [ 1.80 5.25] 0.45 0.39 0.38 0.36 0.42 0.34 0.38 0.00 0.32 0.00 0.37 0.35 0.00 0.34 0.34 0.45 0.33 0.39 0.00 0.38 - 16 [ 0.32 .. 0.45]
1355-> ARG 32 HG2 - TRP 64 HZ3 [ 1.80 5.42] 0.26 0.65 0.00 0.44 0.77 0.71 0.62 0.87 0.55 0.58 0.81 0.61 0.00 0.78 0.20 0.00 0.98 0.00 0.32 0.00 - 15 [ 0.20 .. 0.98]
1356-> ARG 32 HG3 - TRP 64 HZ3 [ 1.80 5.85] 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.03 0.00 0.00 0.29 0.00 0.00 0.00 0.26 - 5 [ 0.03 .. 0.81]
1357-> LEU 44 HA - ILE 45 HG12 [ 1.80 5.17] 0.00 0.00 1.44 0.00 1.43 0.00 0.00 0.00 0.00 1.44 0.00 1.45 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 - 5 [ 1.40 .. 1.45]
1371-> ILE 45 HB - PRO 46 HD2 [ 1.80 3.97] 0.00 0.65 0.18 0.38 0.10 0.55 0.46 0.54 0.31 0.20 0.52 0.14 0.00 0.47 0.50 0.69 0.15 0.00 0.54 0.52 - 17 [ 0.10 .. 0.69]
1372-> ILE 45 HB - PRO 46 HD3 [ 1.80 3.97] 0.00 0.88 0.41 1.22 0.38 0.89 0.84 0.89 1.21 0.36 0.87 0.35 0.00 0.85 0.89 0.85 0.40 0.00 0.88 0.84 - 17 [ 0.35 .. 1.22]
1373-> ILE 54 HD1* - LYS 59 HB3 [ 1.80 5.97] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 1.96 0.00 0.00 0.00 0.00 0.30 0.00 - 3 [ 0.27 .. 1.96]
1374-> THR 66 HG2* - LEU 71 HD2* [ 1.80 3.83] 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 2.01 0.00 0.00 - 1 [ 2.01 .. 2.01]
1378-> LEU 71 HB2 - LEU 76 HD1* [ 1.80 4.42] 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 0.54 0.00 0.00 - 1 [ 0.54 .. 0.54]
1380-> LEU 71 HB2 - LEU 76 HD2* [ 1.80 4.36] 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 0.00 0.00 0.00 0.35 0.00 0.00 - 1 [ 0.35 .. 0.35]
1381-> LEU 71 HB3 - LEU 76 HD2* [ 1.80 4.36] 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 0.00 0.00 0.00 0.35 0.00 0.00 - 1 [ 0.35 .. 0.35]
1392-> ARG 26 HG3 - VAL 29 HG1* [ 1.80 4.93] 0.00 0.00 0.00 0.08 0.41 0.04 0.00 1.24 0.00 1.08 1.29 0.00 1.10 0.23 0.00 0.31 1.08 0.00 1.54 1.18 - 13 [ 0.00 .. 1.54]
1393-> ARG 26 HB2 - VAL 29 HG2* [ 1.80 3.78] 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 0.19 0.00 0.00 0.08 - 2 [ 0.08 .. 0.19]
1395-> ILE 45 HG12 - CYS 48 HB2 [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.48 .. 0.70]
1396-> ILE 45 HG13 - CYS 48 HB3 [ 1.80 5.87] 0.00 0.00 1.79 0.00 0.67 0.00 0.00 0.00 0.00 1.73 0.00 0.27 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 - 5 [ 0.27 .. 1.79]
1397-> ILE 45 HG13 - CYS 48 HB2 [ 1.80 5.87] 0.00 0.00 0.10 0.00 2.16 0.00 0.00 0.00 0.00 0.02 0.00 1.86 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 - 5 [ 0.02 .. 2.16]
1398-> ILE 45 HG12 - CYS 48 HB3 [ 1.80 6.05] 0.00 0.38 0.32 0.62 0.00 0.47 0.00 0.62 0.41 0.23 0.39 0.00 0.00 0.00 0.42 0.00 0.38 0.00 0.59 0.00 - 11 [ 0.23 .. 0.62]
1402-> VAL 23 HG2* - ALA 25 HB* [ 1.80 5.71] 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.64 - 4 [ 0.52 .. 1.25]
1405-> MET 41 HG3 - ARG 42 HG2 [ 1.80 6.05] 0.00 1.87 1.06 0.00 0.00 0.00 0.00 1.21 0.00 1.31 1.92 0.00 0.00 0.00 0.00 2.96 0.00 0.00 0.00 1.24 - 7 [ 1.06 .. 2.96]
1406-> MET 41 HG3 - ARG 42 HG3 [ 1.80 6.05] 1.47 1.68 0.00 1.34 1.59 1.41 1.48 0.00 1.42 0.00 1.69 1.45 1.32 1.48 1.30 2.88 1.50 1.37 1.40 0.00 - 16 [ 1.30 .. 2.88]
1407-> ALA 38 HB* - MET 41 HG2 [ 1.80 4.79] 1.52 1.86 2.07 1.69 1.40 0.69 1.87 0.86 1.95 1.89 1.84 0.85 1.85 1.74 1.96 1.67 0.44 2.22 1.91 1.87 - 20 [ 0.44 .. 2.22]
1416-> LEU 15 HD1* - ARG 20 HA [ 1.80 4.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.13 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.13 .. 0.13]
1417-> ARG 20 HA - THR 21 HG2* [ 1.80 4.70] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.79 .. 0.79]
1422-> ALA 38 HA - MET 41 HG2 [ 1.80 4.73] 0.37 0.79 1.08 0.60 0.23 0.00 0.82 0.00 0.90 0.83 0.77 0.00 0.79 0.64 0.93 0.56 0.00 1.27 0.84 0.81 - 16 [ 0.23 .. 1.27]
1427-> VAL 51 HG1* - ILE 62 HG12 [ 1.80 5.80] 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 1.31 0.00 0.00 - 1 [ 1.31 .. 1.31]
1428-> VAL 51 HG1* - ILE 62 HG13 [ 1.80 5.80] 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 0.78 0.00 0.00 - 1 [ 0.78 .. 0.78]
1435-> TYR 52 HD* - GLU 79 HG3 [ 1.80 5.17] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 - 1 [ 0.12 .. 0.12]
1438-> TYR 52 HD* - ILE 54 HG13 [ 1.80 4.32] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 - 1 [ 0.81 .. 0.81]
1439-> TYR 52 HD* - LYS 59 HG3 [ 1.80 4.55] 0.00 0.10 0.00 0.00 0.00 0.11 0.07 0.14 0.00 0.00 0.19 0.00 0.00 0.00 0.14 0.12 0.03 0.00 0.00 0.02 - 9 [ 0.02 .. 0.19]
1443-> TYR 52 HD* - GLU 79 HG2 [ 1.80 5.17] 0.58 0.59 0.63 0.53 0.64 0.72 0.61 0.58 0.54 0.75 0.67 0.54 0.00 0.76 0.38 0.62 0.58 0.00 0.55 0.77 - 18 [ 0.38 .. 0.77]
1445-> TYR 52 HE* - LYS 59 HG2 [ 1.80 4.40] 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.50 0.00 0.00 0.00 0.00 0.66 0.00 - 4 [ 0.29 .. 0.66]
1447-> TYR 52 HE* - ILE 54 HG13 [ 1.80 4.23] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 - 1 [ 0.10 .. 0.10]
1451-> PHE 14 HE* - GLU 75 HB2 [ 1.80 5.53] 3.97 3.78 3.65 3.70 0.00 0.00 4.26 0.00 4.12 4.46 4.50 3.84 0.00 4.18 4.83 3.93 0.00 3.77 3.91 0.00 - 14 [ 3.65 .. 4.83]
1452-> PHE 14 HE* - GLU 75 HB3 [ 1.80 5.53] 3.85 3.58 3.48 3.49 0.00 0.00 4.23 0.00 3.84 3.10 4.21 3.61 0.00 4.23 3.39 3.79 0.00 3.60 3.73 0.00 - 14 [ 3.10 .. 4.23]
1453-> ARG 53 HA - HIS 77 HD2 [ 1.80 3.92] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.61 0.00 0.00 0.00 4.48 4.37 0.00 0.00 2.20 0.00 0.03 - 5 [ 0.03 .. 4.61]
1454-> LEU 76 HA - HIS 77 HD2 [ 1.80 4.29] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 0.00 0.00 0.00 2.70 2.84 0.00 0.21 1.96 0.00 0.00 - 5 [ 0.21 .. 2.84]
1456-> ILE 54 HG13 - HIS 77 HD2 [ 1.80 4.70] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 1.94 1.19 0.00 0.00 0.00 0.00 0.00 - 3 [ 1.19 .. 2.16]
1457-> ILE 54 HG12 - HIS 77 HD2 [ 1.80 5.90] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 1.23 0.37 0.00 0.00 0.03 0.00 0.00 - 4 [ 0.03 .. 1.78]
1458-> LEU 76 HD2* - HIS 77 HD2 [ 1.80 5.62] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 2.10 2.50 0.00 0.00 2.32 0.00 0.00 - 4 [ 2.10 .. 2.50]
1459-> ILE 54 HD1* - HIS 77 HD2 [ 1.80 4.86] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.17 .. 0.19]
1461-> ILE 54 HN - HIS 77 HD2 [ 1.80 4.74] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.89 0.00 0.00 0.00 3.87 3.35 0.00 0.00 0.40 0.00 0.00 - 4 [ 0.40 .. 3.89]
1462-> HIS 77 HN - HIS 77 HD2 [ 1.80 4.29] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.76 1.34 0.00 0.00 0.87 0.00 0.00 - 4 [ 0.76 .. 1.34]
1468-> ASP 67 HB3 - TRP 70 HD1 [ 1.80 4.62] 0.29 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 [ 0.29 .. 0.29]
1469-> THR 66 HG2* - TRP 70 HD1 [ 1.80 5.29] 0.81 0.62 0.48 0.41 0.42 0.31 0.50 0.51 0.55 0.57 0.60 0.25 0.37 0.58 0.46 0.51 0.35 2.13 0.39 0.40 - 20 [ 0.25 .. 2.13]
1482-> VAL 51 HG2* - TRP 64 HH2 [ 1.80 4.68] 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 0.28 0.00 0.00 - 1 [ 0.28 .. 0.28]
1492-> ILE 54 HB - HIS 77 HD2 [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 2.60 1.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 1.00 .. 2.60]
1496-> MET 2 HN - MET 2 HG* [ 1.80 4.41] 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.11 0.00 0.11 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.11 .. 0.11]
1524-> ILE 10 HD1* - ARG 12 HG* [ 1.80 3.86] 1.96 0.79 0.69 1.46 0.74 1.36 1.50 1.47 0.60 0.00 1.82 0.70 1.53 1.48 0.00 1.80 0.00 1.63 1.66 1.21 - 17 [ 0.60 .. 1.96]
1526-> ARG 12 HN - ARG 12 HG* [ 1.80 3.93] 0.10 0.14 0.12 0.13 0.14 0.13 0.13 0.15 0.13 0.00 0.12 0.13 0.08 0.13 0.00 0.12 0.00 0.10 0.14 0.11 - 17 [ 0.08 .. 0.15]
1538-> PHE 14 HD* - GLU 75 HB* [ 1.80 4.91] 1.84 1.61 1.51 1.57 0.00 0.00 2.12 0.00 1.89 1.47 2.22 1.68 0.00 2.11 1.78 1.82 0.00 1.68 1.74 0.00 - 14 [ 1.47 .. 2.22]
1539-> PHE 14 HD* - GLU 75 HG* [ 1.80 5.07] 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 2.28 0.21 0.00 0.00 0.11 2.55 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.11 .. 2.55]
1540-> PHE 14 HE* - GLU 75 HB* [ 1.80 4.63] 3.78 3.57 3.47 3.50 0.00 0.00 4.08 0.00 3.84 3.51 4.17 3.61 0.00 4.05 3.79 3.73 0.00 3.57 3.69 0.00 - 14 [ 3.47 .. 4.17]
1541-> PHE 14 HE* - GLU 75 HG* [ 1.80 4.94] 1.80 1.65 1.47 1.51 0.00 0.00 1.97 0.00 1.81 4.19 2.10 1.60 0.00 1.98 4.44 1.67 0.00 1.60 1.68 0.00 - 14 [ 1.47 .. 4.44]
1553-> PRO 16 HB* - VAL 80 HG2* [ 1.80 3.98] 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 0.07 0.00 0.00 0.00 0.18 0.00 0.00 - 2 [ 0.07 .. 0.18]
1581-> ARG 26 HN - ILE 68 HG1* [ 1.80 4.43] 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 - 2 [ 0.17 .. 0.61]
1592-> ARG 26 HD* - VAL 29 HG2* [ 1.80 3.69] 0.84 0.68 0.59 0.00 1.10 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.49 0.91 0.00 0.65 0.00 0.00 - 9 [ 0.49 .. 1.10]
1608-> ARG 32 HG2 - PRO 46 HG* [ 1.80 4.29] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.87 .. 0.87]
1609-> ARG 32 HG2 - PRO 46 HD* [ 1.80 5.31] 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.31 .. 1.71]
1617-> LYS 36 HN - LYS 36 HG* [ 1.80 3.72] 0.28 0.27 0.27 0.00 0.00 0.00 0.29 0.00 0.26 0.27 0.28 0.27 0.28 0.27 0.27 0.28 0.00 0.27 0.27 0.27 - 15 [ 0.26 .. 0.29]
1628-> LYS 37 HN - LYS 37 HG* [ 1.80 3.90] 0.00 0.00 0.09 0.00 0.00 0.00 0.09 0.00 0.00 0.08 0.00 0.00 0.10 0.00 0.11 0.09 0.00 0.00 0.00 0.08 - 7 [ 0.08 .. 0.11]
1638-> ALA 38 HA - ARG 42 HG* [ 1.80 5.87] 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 - 3 [ 0.85 .. 0.91]
1654-> MET 41 HN - ARG 42 HG* [ 1.80 5.87] 0.00 0.08 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 0.38 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 0.38]
1664-> ARG 42 HD* - LEU 44 HD1* [ 1.80 4.80] 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 0.14 0.00 0.08 0.00 0.00 0.00 - 2 [ 0.08 .. 0.14]
1670-> ILE 45 HB - CYS 48 HB* [ 1.80 4.75] 0.11 0.00 0.05 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.09 0.00 0.00 0.00 0.00 0.10 0.00 0.00 - 6 [ 0.05 .. 0.53]
1673-> ILE 45 HG13 - CYS 48 HB* [ 1.80 4.93] 0.00 0.00 0.84 0.00 1.34 0.00 0.00 0.00 0.00 0.77 0.00 0.99 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 - 5 [ 0.77 .. 1.34]
1674-> ILE 45 HD1* - GLU 47 HB* [ 1.80 4.53] 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.54 0.00 0.00 0.00 0.52 - 4 [ 0.44 .. 0.68]
1683-> CYS 48 HB* - LEU 81 HD1* [ 1.80 5.87] 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 0.31 0.00 0.00 0.00 0.00 - 2 [ 0.31 .. 0.45]
1695-> VAL 51 HG1* - ILE 62 HG1* [ 1.80 5.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 - 1 [ 1.02 .. 1.02]
1702-> TYR 52 HD* - LYS 59 HE* [ 1.80 4.48] 0.07 0.12 0.00 0.00 0.09 0.00 0.00 0.25 0.00 0.00 0.07 0.00 0.00 0.00 0.14 0.10 0.00 0.09 0.00 0.00 - 8 [ 0.07 .. 0.25]
1717-> ARG 53 HB* - HIS 77 HD2 [ 1.80 5.62] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.03 0.00 0.00 0.00 3.97 3.69 0.00 0.00 2.02 0.00 0.00 - 4 [ 2.02 .. 4.03]
1719-> ARG 53 HG* - ILE 62 HD1* [ 1.80 4.10] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.34 .. 0.34]
1720-> ARG 53 HD* - ILE 62 HD1* [ 1.80 4.04] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.19 .. 0.19]
1722-> ARG 53 HD* - LEU 76 HD2* [ 1.80 4.58] 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 0.01 1.82 0.00 0.00 - 2 [ 0.01 .. 1.82]
1724-> ILE 54 HG12 - LYS 59 HB* [ 1.80 5.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.62 - 2 [ 0.33 .. 0.62]
1725-> ILE 54 HD1* - LYS 59 HB* [ 1.80 5.14] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.34 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.34 .. 1.19]
1732-> GLN 55 HG* - ASP 56 HN [ 1.80 4.39] 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 0.51 0.00 - 1 [ 0.51 .. 0.51]
1733-> GLN 55 HG* - ASP 56 HB* [ 1.80 4.69] 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 0.93 0.00 - 1 [ 0.93 .. 0.93]
1737-> GLU 58 HN - GLU 58 HG* [ 1.80 3.94] 0.06 0.09 0.07 0.06 0.07 0.09 0.00 0.13 0.08 0.07 0.10 0.00 0.06 0.05 0.05 0.09 0.09 0.07 0.07 0.06 - 18 [ 0.05 .. 0.13]
1740-> GLU 58 HB* - LYS 59 HN [ 1.80 3.81] 0.01 0.07 0.15 0.02 0.06 0.09 0.00 0.00 0.06 0.08 0.00 0.00 0.07 0.00 0.00 0.08 0.05 0.13 0.11 0.00 - 14 [ 0.00 .. 0.15]
1783-> LEU 71 HB* - LEU 76 HD1* [ 1.80 3.84] 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 0.29 0.00 0.00 - 1 [ 0.29 .. 0.29]
1784-> LEU 71 HB* - LEU 76 HD2* [ 1.80 3.78] 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 0.41 0.00 0.00 - 1 [ 0.41 .. 0.41]
1785-> LEU 71 HD2* - GLU 74 HG* [ 1.80 4.30] 0.24 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.10 .. 0.24]
1792-> GLU 74 HA - GLU 75 HG* [ 1.80 5.70] 0.10 0.14 0.11 0.12 0.00 0.12 0.14 0.12 0.12 0.00 0.11 0.12 0.00 0.13 0.00 0.14 0.00 0.08 0.15 0.13 - 15 [ 0.08 .. 0.15]
1794-> GLU 74 HG* - LEU 76 HD2* [ 1.80 5.65] 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 1.73 0.00 0.00 - 1 [ 1.73 .. 1.73]
1806-> ASN 83 HN - VAL 84 HG* [ 1.80 4.79] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
-------------------------------------------
Number of Violations greater than 0.10 70 67 77 58 58 45 69 58 57 81 87 62 47 107 83 88 59 101 69 68
-------------------------------------------
---- 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: 11 9 13 11 8 7 8 8 9 12 17 13 7 15 13 9 9 11 11 11 10.60
0.2 - 0.5 ang: 24 17 21 14 13 8 18 7 15 20 21 20 20 27 31 25 17 27 17 18 19.00
> 0.5 ang: 35 41 43 33 37 30 43 43 33 49 49 29 20 65 39 54 33 63 41 39 40.95
Total : 88 78 89 71 77 60 83 73 71 101 103 72 76 124 98 104 76 119 84 91 86.90
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 : 3.971 3.777 3.646 3.704 2.162 2.188 4.257 2.533 4.118 4.607 4.500 3.843 2.184 4.481 4.833 3.928 2.634 3.767 3.907 2.247 4.833
Max Intra Viol : 0.888 0.885 0.889 0.701 0.864 0.719 0.884 1.137 0.693 1.063 1.321 0.696 1.018 0.871 1.344 0.891 1.310 0.882 1.313 1.081 1.344
Max Seque Viol : 1.466 1.872 1.442 1.345 1.594 1.411 1.479 2.533 1.425 2.677 2.207 1.452 2.105 2.704 2.838 2.962 2.634 2.317 2.326 2.247 2.962
Max Medium Viol : 2.728 1.856 2.068 2.314 2.162 2.188 2.279 2.294 1.951 1.891 2.602 1.856 2.184 2.304 1.961 2.717 1.786 2.415 2.488 2.069 2.728
Max Long Viol : 3.971 3.777 3.646 3.704 1.701 1.654 4.257 1.709 4.118 4.607 4.500 3.843 1.780 4.481 4.833 3.928 1.437 3.767 3.907 1.947 4.833
Average Violation : 0.034 0.031 0.034 0.028 0.025 0.020 0.035 0.027 0.027 0.048 0.044 0.025 0.018 0.061 0.043 0.045 0.022 0.056 0.034 0.027 0.03423
Avge Intra Viol : 0.007 0.008 0.009 0.004 0.005 0.002 0.008 0.004 0.004 0.009 0.009 0.008 0.007 0.010 0.007 0.009 0.007 0.008 0.009 0.006 0.00701
Avge Seque Viol : 0.044 0.039 0.034 0.041 0.038 0.032 0.044 0.036 0.031 0.030 0.050 0.026 0.026 0.049 0.027 0.055 0.021 0.052 0.045 0.040 0.03787
Avge Mediu Viol : 0.012 0.025 0.022 0.019 0.021 0.015 0.021 0.032 0.017 0.052 0.043 0.017 0.028 0.043 0.040 0.040 0.034 0.050 0.039 0.035 0.03031
Avge Long Viol : 0.061 0.050 0.062 0.043 0.033 0.028 0.060 0.038 0.048 0.099 0.071 0.044 0.018 0.126 0.091 0.070 0.032 0.109 0.046 0.031 0.05790
RMS Violation : 0.246 0.219 0.220 0.215 0.160 0.150 0.249 0.177 0.215 0.320 0.279 0.200 0.141 0.342 0.307 0.276 0.148 0.308 0.241 0.170 0.23695
RMS Intra : 0.059 0.063 0.069 0.045 0.053 0.033 0.066 0.054 0.042 0.073 0.079 0.059 0.058 0.072 0.077 0.069 0.073 0.072 0.079 0.060 0.06393
RMS Sequential : 0.270 0.196 0.191 0.239 0.205 0.205 0.239 0.212 0.182 0.174 0.270 0.160 0.187 0.255 0.160 0.287 0.140 0.295 0.261 0.217 0.22160
RMS Medium range : 0.102 0.177 0.135 0.124 0.144 0.113 0.131 0.204 0.127 0.290 0.237 0.133 0.182 0.254 0.267 0.275 0.221 0.275 0.206 0.200 0.19911
RMS Long range : 0.354 0.326 0.338 0.303 0.183 0.170 0.376 0.202 0.336 0.519 0.400 0.312 0.123 0.543 0.500 0.369 0.164 0.441 0.323 0.174 0.34451
Final --global-- Summary for 20 models, 1817 NOEs/model, 36340 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 1243.971
Summ sq. viol : 2040.334
Maximum viol : 4.833
Average viol : 0.03423
RMSD viol : 0.23695
Std. Dev. viol : 0.23447
RMS Intra : 0.06393
RMS Seque : 0.22160
RMS Medi : 0.19911
RMS Long : 0.34451
table of dihedral angle constraints violations
1-> [LYS A 8] PHI -113.2 -53.2 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.5 0.7 0.0 0.0 0.0 0.0 0.0 0.0 9.4 0.0 0.0 0.0 - 4 [ 0.0 .. 9.4]
3-> [PRO A 9] PSI 111.4 171.4 0.0 0.0 0.0 3.9 0.7 0.0 0.0 1.7 0.0 1.8 0.0 0.0 0.0 1.2 0.0 0.0 1.8 0.0 1.9 1.2 - 8 [ 0.0 .. 3.9]
8-> [ARG A 12] PHI -133.7 -73.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 - 1 [ 0.0 .. 2.6]
12-> [PHE A 14] PHI -122.0 -62.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.9 0.0 0.0 0.0 - 1 [ 0.0 .. 4.9]
19-> [ARG A 20] PHI -159.1 -99.1 2.3 0.9 0.8 0.8 0.7 6.2 2.8 0.9 1.4 0.2 1.4 1.4 3.9 0.0 0.0 0.0 0.8 2.5 2.8 0.8 - 17 [ 0.0 .. 6.2]
21-> [THR A 21] PHI -155.8 -95.8 0.0 0.0 0.0 0.0 3.4 4.6 0.0 4.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.5 0.0 0.0 4.2 - 5 [ 0.0 .. 4.6]
22-> [THR A 21] PSI 125.5 -174.5 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 - 2 [ 0.0 .. 1.4]
27-> [ALA A 25] PSI 104.2 164.2 0.0 0.0 0.0 25.1 0.0 41.4 0.0 0.0 39.9 39.1 0.0 45.5 43.0 0.0 0.0 0.0 0.0 0.0 0.0 31.8 - 7 [ 0.0 .. 45.5]
43-> [LEU A 35] PSI -45.6 14.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.4 0.0 0.0 2.8 0.0 0.0 0.0 0.0 0.0 5.8 0.0 0.0 - 3 [ 0.0 .. 5.8]
46-> [LYS A 37] PHI -91.7 -31.7 0.0 0.0 0.0 1.5 12.6 8.6 0.0 10.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.1 0.0 0.0 0.0 - 5 [ 0.0 .. 12.6]
55-> [MET A 41] PSI -56.2 3.8 0.0 0.0 0.0 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 3.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 3.0]
56-> [ARG A 42] PHI -119.1 -59.1 8.4 0.0 0.0 8.2 6.9 7.2 7.6 0.0 8.0 0.0 0.0 9.5 8.0 7.2 10.2 0.0 6.5 8.9 8.2 0.0 - 13 [ 0.0 .. 10.2]
62-> [ILE A 45] PHI -145.5 -85.5 0.0 0.0 7.1 0.0 6.1 0.0 0.0 0.0 0.0 5.5 0.0 0.0 0.0 0.0 0.0 0.0 2.5 0.0 0.0 0.0 - 4 [ 0.0 .. 7.1]
67-> [CYS A 49] PHI -178.4 -118.4 8.3 0.0 0.0 0.0 8.3 0.0 0.0 0.0 0.0 0.0 0.0 1.3 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 8.3]
75-> [ARG A 53] PHI -170.3 -110.3 0.0 0.0 0.0 0.0 0.0 6.3 0.0 0.0 0.0 20.3 0.0 0.0 0.0 22.5 5.9 0.0 0.0 0.0 0.0 2.3 - 5 [ 0.0 .. 22.5]
79-> [GLN A 55] PHI -165.0 -105.0 0.0 0.0 3.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 - 2 [ 0.0 .. 3.1]
80-> [GLN A 55] PSI 95.6 155.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.8 0.0 0.0 2.1 5.6 0.0 0.0 0.0 0.1 0.0 0.0 - 4 [ 0.0 .. 5.6]
85-> [GLU A 58] PHI -144.3 -84.3 9.4 0.0 0.0 8.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.8 11.9 8.6 0.0 0.0 0.0 0.0 4.8 - 6 [ 0.0 .. 11.9]
86-> [GLU A 58] PSI 114.3 174.3 0.0 0.6 14.0 0.0 0.1 4.0 0.0 0.0 0.0 3.5 0.0 0.0 0.0 0.0 0.0 2.6 0.0 8.1 4.1 0.0 - 8 [ 0.0 .. 14.0]
88-> [LYS A 59] PSI 95.4 155.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.3 0.0 0.0 0.0 0.0 0.4 0.0 1.2 - 4 [ 0.0 .. 5.3]
111-> [GLY A 73] PSI -46.2 13.8 0.0 0.0 0.0 1.1 3.9 0.5 10.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.4 0.0 1.2 2.8 0.0 - 7 [ 0.0 .. 10.4]
115-> [GLU A 75] PSI 115.0 175.0 0.0 0.0 0.1 0.0 0.0 0.0 2.3 4.9 0.0 0.0 1.3 0.0 6.7 0.3 5.5 0.0 0.0 2.2 0.0 0.0 - 9 [ 0.0 .. 6.7]
116-> [LEU A 76] PHI -154.3 -94.3 0.0 2.8 1.3 4.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.1 2.8 0.0 0.0 0.0 0.0 6.8 0.0 0.0 - 6 [ 0.0 .. 6.8]
117-> [LEU A 76] PSI 112.7 172.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15.1 0.0 0.0 0.0 - 1 [ 0.0 .. 15.1]
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 5 1 3 7 5 6 4 3 4 4 2 6 8 3 4 2 8 7 6 5 4.65
> 10. degrees : 0 0 1 1 1 1 1 1 1 2 0 1 1 2 1 0 2 0 0 1 0.85
Total : 5 3 6 10 9 8 5 5 5 8 2 8 9 6 6 2 11 10 6 7 6.55
Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Maximum Violation : 9.4 2.8 14.0 25.1 12.6 41.4 10.4 10.1 39.9 39.1 1.4 45.5 43.0 22.5 10.2 5.4 15.1 8.9 8.2 31.8 45.53
Max PHI Viol : 9.4 2.8 7.1 8.2 12.6 8.6 7.6 10.1 8.5 20.3 1.4 9.5 9.8 22.5 10.2 0.0 11.1 8.9 8.2 4.8 22.54
Max PSI Viol : 0.0 0.6 14.0 25.1 3.9 41.4 10.4 4.9 39.9 39.1 1.3 45.5 43.0 5.6 5.5 5.4 15.1 8.1 4.1 31.8 45.53
Average Violation : 0.3 0.0 0.2 0.4 0.3 0.6 0.2 0.2 0.5 0.6 0.0 0.6 0.7 0.4 0.3 0.1 0.5 0.3 0.2 0.4 0.331
Avge PHI Viol : 0.724 0.248 0.454 0.616 0.794 0.740 0.416 0.502 0.547 0.667 0.152 0.539 0.659 0.833 0.648 0.000 0.819 0.553 0.482 0.449 0.583
Avge PSI Viol : 0.000 0.095 0.467 0.693 0.270 0.840 0.482 0.319 0.807 0.861 0.140 0.889 0.937 0.333 0.321 0.351 0.530 0.535 0.369 0.725 0.569
RMS Violation : 1.394 0.266 1.442 2.527 1.645 3.951 1.218 1.085 3.723 4.005 0.168 4.205 4.113 2.424 1.399 0.537 2.058 1.387 0.946 2.909 2.446
RMS PHI Viol : 2.012 0.377 1.024 1.595 2.317 1.936 1.046 1.414 1.518 2.720 0.180 1.419 1.762 3.418 1.881 0.000 2.227 1.491 1.178 0.882 1.724
RMS PSI Viol : 0.000 0.073 1.741 3.152 0.496 5.153 1.357 0.647 4.953 4.901 0.157 5.670 5.447 0.717 0.703 0.744 1.889 1.284 0.664 3.944 2.960
Final --global-- Summary for 20 models, 125 ACOs/model, 2500 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 827.73
Summ. Sq. Viol. : 14953.68
Max. Viol. : 45.531
Avg. Viol. : 0.33109
RMS Viol. : 2.44571
Std. Dev. Viol. : 2.42319
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
# -----------------------------------------------------------------------------------
HIS A 1 0.328 0.561 0.338
MET A 2 0.274 0.907 0.521 0.244 0.376
PRO A 3 0.989 0.907 0.913 0.849 3 3
LYS A 4 0.927 0.631 0.696 0.931 0.999 0.999
SER A 5 0.506 0.920 0.863
PRO A 6 0.990 0.726 0.930 0.885
GLN A 7 0.898 0.675 0.729 0.433 0.854
LYS A 8 0.964 0.997 0.998 0.594 0.998 1.000 8 8
PRO A 9 0.994 0.980 0.907 0.818 9 9
ILE A 10 0.999 0.999 1.000 0.789 10 10
VAL A 11 0.999 0.998 1.000 11 11
ARG A 12 0.994 0.993 0.813 0.989 0.465 0.835 1.000 12 12
VAL A 13 0.995 0.996 1.000 13 13
PHE A 14 0.984 0.991 0.677 0.997 14 14
LEU A 15 0.992 1.000 0.999 1.000 15 15
PRO A 16 0.999 0.997 0.983 0.969 16 16
ASN A 17 1.000 0.994 0.710 0.903 17 17
LYS A 18 1.000 0.999 1.000 1.000 1.000 1.000 18 18
GLN A 19 0.999 0.996 1.000 1.000 0.999 19 19
ARG A 20 0.994 0.991 0.503 0.990 0.512 0.602 1.000 20 20
THR A 21 0.996 0.973 0.933 21 21
VAL A 22 0.982 0.998 1.000 22 22
VAL A 23 0.998 0.982 0.719 23 23
PRO A 24 0.991 0.997 0.920 0.850 24 24
ALA A 25 0.981 0.881 25
ARG A 26 0.879 0.990 0.611 0.552 0.996 0.662 1.000 26
CYS A 27 0.996 0.997 0.748 27 27
GLY A 28 0.995 0.991 28 28
VAL A 29 0.987 0.996 1.000 29 29
THR A 30 1.000 1.000 1.000 30 30
VAL A 31 1.000 0.999 1.000 31 31
ARG A 32 0.998 0.989 0.855 0.760 0.111 0.482 1.000 32 32
ASP A 33 0.990 0.986 0.999 0.970 33 33
SER A 34 0.995 0.992 0.410 34 34
LEU A 35 0.992 0.990 0.994 0.857 35 35
LYS A 36 0.997 0.959 0.694 0.999 1.000 0.998 36 36
LYS A 37 0.971 0.993 0.631 0.998 1.000 0.999 37 37
ALA A 38 0.998 0.999 38 38
LEU A 39 0.997 0.997 0.999 0.999 39 39
MET A 40 0.998 0.997 0.774 0.858 0.537 40 40
MET A 41 0.996 0.979 1.000 0.720 0.503 41 41
ARG A 42 0.963 0.991 0.926 0.442 0.928 0.474 1.000 42 42
GLY A 43 0.994 0.992 43 43
LEU A 44 0.992 0.990 1.000 1.000 44 44
ILE A 45 0.968 0.988 0.435 0.697 45 45
PRO A 46 0.994 0.988 0.935 0.884 46 46
GLU A 47 0.994 0.994 0.999 0.644 0.904 47 47
CYS A 48 0.993 0.993 0.654 48 48
CYS A 49 0.991 0.996 0.999 49 49
ALA A 50 0.996 0.998 50 50
VAL A 51 0.991 1.000 0.447 51 51
TYR A 52 0.998 0.995 0.999 0.899 52 52
ARG A 53 0.979 0.979 0.540 0.997 0.346 0.566 1.000 53 53
ILE A 54 0.980 0.995 1.000 0.920 54 54
GLN A 55 0.973 0.973 0.857 0.529 0.855 55 55
ASP A 56 1.000 0.998 1.000 1.000 56 56
GLY A 57 0.993 0.984 57 57
GLU A 58 0.969 0.981 0.865 0.998 1.000 58 58
LYS A 59 0.988 0.970 0.751 0.998 0.999 0.991 59 59
LYS A 60 0.964 0.989 0.569 0.927 0.999 0.999 60 60
PRO A 61 0.994 0.998 0.919 0.846 61 61
ILE A 62 0.998 0.990 0.923 0.706 62 62
GLY A 63 0.996 0.995 63 63
TRP A 64 0.997 0.999 0.999 0.998 64 64
ASP A 65 0.998 0.991 0.539 0.972 65 65
THR A 66 0.994 0.996 0.925 66 66
ASP A 67 0.999 0.999 0.999 0.970 67 67
ILE A 68 1.000 0.999 0.999 0.941 68 68
SER A 69 0.998 0.999 0.913 69 69
TRP A 70 1.000 0.999 1.000 0.996 70 70
LEU A 71 0.999 0.997 1.000 1.000 71 71
THR A 72 1.000 0.999 1.000 72 72
GLY A 73 0.997 0.983 73 73
GLU A 74 0.982 0.997 0.999 0.692 0.882 74 74
GLU A 75 0.998 0.997 0.701 0.996 0.868 75 75
LEU A 76 0.996 0.974 0.920 0.929 76 76
HIS A 77 0.988 0.994 0.803 0.796 77 77
VAL A 78 0.997 0.999 0.999 78 78
GLU A 79 0.995 0.991 0.834 0.999 0.976 79 79
VAL A 80 0.988 0.996 0.687 80 80
LEU A 81 0.991 0.996 0.925 0.930 81 81
GLU A 82 0.940 0.937 0.593 0.605 0.908 82 82
ASN A 83 0.987 0.831 0.617 0.933 83
VAL A 84 0.773 0.955 0.857
PRO A 85 0.993 0.979 0.963 0.938 85 85
LEU A 86 0.876 0.567 0.662
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 `HR4694F_R3_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 1 is: 0.379
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 2 is: 0.249 (*)
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 3 is: 0.521
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 4 is: 0.503
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 5 is: 0.347
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 6 is: 0.430
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 7 is: 0.435
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 8 is: 0.324
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 9 is: 0.311
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 10 is: 0.585
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 11 is: 0.343
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 12 is: 0.489
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 13 is: 0.484
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 14 is: 0.552
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 15 is: 0.504
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 16 is: 0.671
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 17 is: 0.530
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 18 is: 0.532
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 19 is: 0.399
> Kabsch RMSD of backbone atoms in res. A[8..24],A[27..82],for model 20 is: 0.734
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[8..24],[27..82], is: 0.466
> Range of RMSD values to reference struct. is 0.249 to 0.734
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 1 is: 0.713
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 2 is: 0.589
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 3 is: 0.926
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 4 is: 0.862
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 5 is: 0.876
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 6 is: 0.812
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 7 is: 0.801
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 8 is: 0.868
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 9 is: 0.609
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 10 is: 1.029
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 11 is: 0.565 (*)
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 12 is: 0.909
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 13 is: 1.033
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 14 is: 0.997
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 15 is: 0.966
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 16 is: 1.110
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 17 is: 0.963
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 18 is: 0.910
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 19 is: 0.810
> Kabsch RMSD of heavy atoms in res. A[8..24],A[27..82],for model 20 is: 1.073
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[8..24],[27..82], is: 0.871
> Range of RMSD values to reference struct. is 0.565 to 1.110
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..86],for model 1 is: 1.259
> Kabsch RMSD of backb atoms in res. *[1..86],for model 2 is: 1.330
> Kabsch RMSD of backb atoms in res. *[1..86],for model 3 is: 1.946
> Kabsch RMSD of backb atoms in res. *[1..86],for model 4 is: 1.251
> Kabsch RMSD of backb atoms in res. *[1..86],for model 5 is: 1.752
> Kabsch RMSD of backb atoms in res. *[1..86],for model 6 is: 1.201
> Kabsch RMSD of backb atoms in res. *[1..86],for model 7 is: 1.621
> Kabsch RMSD of backb atoms in res. *[1..86],for model 8 is: 1.944
> Kabsch RMSD of backb atoms in res. *[1..86],for model 9 is: 2.753
> Kabsch RMSD of backb atoms in res. *[1..86],for model 10 is: 1.112 (*)
> Kabsch RMSD of backb atoms in res. *[1..86],for model 11 is: 2.165
> Kabsch RMSD of backb atoms in res. *[1..86],for model 12 is: 1.479
> Kabsch RMSD of backb atoms in res. *[1..86],for model 13 is: 3.275
> Kabsch RMSD of backb atoms in res. *[1..86],for model 14 is: 1.167
> Kabsch RMSD of backb atoms in res. *[1..86],for model 15 is: 2.553
> Kabsch RMSD of backb atoms in res. *[1..86],for model 16 is: 2.393
> Kabsch RMSD of backb atoms in res. *[1..86],for model 17 is: 2.374
> Kabsch RMSD of backb atoms in res. *[1..86],for model 18 is: 2.546
> Kabsch RMSD of backb atoms in res. *[1..86],for model 19 is: 2.582
> Kabsch RMSD of backb atoms in res. *[1..86],for model 20 is: 1.471
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..86], is: 1.909
> Range of RMSD values to reference struct. is 1.112 to 3.275
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 1 is: 1.671
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 2 is: 1.686
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 3 is: 2.208
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 4 is: 1.733
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 5 is: 2.100
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 6 is: 1.512 (*)
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 7 is: 1.893
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 8 is: 2.428
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 9 is: 2.900
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 10 is: 1.609
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 11 is: 2.419
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 12 is: 1.828
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 13 is: 3.582
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 14 is: 1.650
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 15 is: 2.821
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 16 is: 2.638
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 17 is: 2.569
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 18 is: 2.830
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 19 is: 2.853
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 20 is: 2.024
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..86], is: 2.248
> Range of RMSD values to reference struct. is 1.512 to 3.582
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 1.9 0.5 0.5
All heavy atoms 2.2 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 >>>----------+
| |
| HR4694F_R3_em_bcr3_020.rin 0.0 1500 residues |
| |
| Ramachandran plot: 93.1% core 6.9% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 1 labelled residues (out of1500) |
| Chi1-chi2 plots: 0 labelled residues (out of 880) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
8 -0.43
9 -1.31
10 -0.74
11 0.25
12 -0.41
13 0.10
14 -0.99
15 -0.65
16 -0.22
17 -0.60
18 -1.00
19 -0.89
20 -1.37
21 -1.30
22 0.24
23 -0.03
24 0.36
25 -1.50
26 -0.58
27 -0.33
28 0.68
29 0.06
30 -0.18
31 0.78
32 0.73
33 0.80
34 0.43
35 -1.05
36 -0.06
37 0.11
38 0.85
39 0.08
40 0.82
41 -0.96
42 -1.26
43 0.83
44 -0.77
45 -0.12
46 0.03
47 0.16
48 -1.20
49 -0.70
50 -0.53
51 0.22
52 -0.04
53 -0.38
54 -0.10
55 -1.29
56 -0.44
57 0.87
58 -0.73
59 -1.23
60 -0.65
61 0.35
62 0.30
63 -0.36
64 0.41
65 0.19
66 -0.32
67 -0.39
68 -0.44
69 0.67
70 -0.25
71 -1.34
72 -0.71
73 1.00
74 -1.04
75 -0.87
76 -0.45
77 -0.27
78 0.36
79 -0.59
80 -0.22
81 -1.23
82 -0.88
#Reported_Model_Average -0.290
#Overall_Average_Reported -0.290
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
8 0.26
9 -1.31
10 -0.66
11 0.40
12 0.13
13 0.33
14 -0.33
15 0.11
16 -0.22
17 0.01
18 0.08
19 -0.23
20 -0.48
21 -1.02
22 0.51
23 0.00
24 0.36
25 -1.50
26 0.04
27 0.17
28 0.68
29 0.41
30 0.16
31 0.74
32 0.35
33 0.79
34 0.40
35 -0.18
36 0.30
37 0.61
38 0.85
39 0.48
40 0.65
41 -0.01
42 -0.55
43 0.83
44 0.03
45 0.07
46 0.03
47 0.62
48 -0.25
49 0.04
50 -0.53
51 -0.16
52 -0.24
53 -0.04
54 0.36
55 -0.40
56 0.03
57 0.87
58 0.04
59 -0.03
60 0.18
61 0.35
62 0.46
63 -0.36
64 0.62
65 0.49
66 0.05
67 -0.17
68 -0.73
69 0.51
70 -0.21
71 -0.23
72 -0.04
73 1.00
74 -0.18
75 0.01
76 0.07
77 0.32
78 0.47
79 0.22
80 0.02
81 -0.19
82 -0.03
#Reported_Model_Average 0.083
#Overall_Average_Reported 0.083
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
8 0.47 -0.10 0.47 0.47 -0.10 -0.10 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 -0.10 0.47 0.47 0.47 0.47 0.47 -0.10
9 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.25 0.25
10 -0.35 0.09 1.07 -0.35 1.07 -0.35 -0.35 -0.35 1.07 -0.35 -0.35 -0.35 -0.35 0.09 -0.35 0.26 0.09 0.09 0.09 0.09
11 0.71 0.71 0.16 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.16 0.71 0.71 0.71 0.71 0.71 0.16 0.71 0.71
12 0.84 0.19 0.19 0.19 0.84 0.19 0.84 0.19 0.84 0.84 0.19 0.19 -0.89 0.19 0.19 0.19 0.19 0.19 0.19 0.19
13 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
14 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 -0.56 -0.56 0.37 0.37 0.37 0.37 0.37 0.37 -0.56 0.37 0.37
15 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
16 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.59 0.64 0.64 0.64 0.64 0.64 0.64 0.59 0.59 0.64
17 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 0.51 0.41 0.41 0.51 0.51 0.41
18 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
19 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
20 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24
21 0.79 0.79 0.79 0.95 0.79 0.79 0.79 0.79 0.95 0.79 0.79 0.79 0.95 0.79 0.79 0.95 0.79 0.79 0.79 0.79
22 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 1.18 0.44 0.44 0.44 0.08 0.44 0.08 0.44 0.44 0.44 0.44 0.08
23 0.71 1.18 0.44 1.18 1.18 1.18 1.18 0.44 1.18 1.18 1.18 0.71 0.71 1.18 1.18 0.71 0.44 1.18 1.18 1.18
24 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -0.88 -1.01 -0.88 -0.88 -1.01 -0.88 -1.01 -1.01 -1.01 -0.88 -1.01 -0.88 -0.88
25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
26 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24
27 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35
28 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
29 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
30 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
31 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.41 0.74 0.74
32 0.56 0.56 1.10 0.56 1.10 1.10 -0.51 -0.51 0.56 1.10 1.10 1.10 1.10 1.10 1.10 1.10 0.56 0.56 1.10 -0.51
33 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
34 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
35 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
36 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
37 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.07 0.66 0.66 0.07 0.66
38 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
39 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
40 -0.27 -0.42 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.42 -0.42 -0.42 -0.27 -0.27 -0.27 -0.42 -0.27 -0.27 -0.27 -0.27
41 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -1.30 -0.83 -0.83 -0.83 -0.83 -1.30 -0.83
42 0.24 0.71 0.71 0.24 0.24 0.24 0.24 0.71 0.24 0.71 0.71 0.24 0.24 0.24 0.24 -0.44 0.24 0.71 0.24 0.71
43 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
44 0.77 0.77 0.77 0.77 0.77 0.77 1.06 1.06 1.06 0.77 0.77 1.06 1.06 0.77 0.77 1.06 0.77 1.06 1.06 1.06
45 0.81 0.81 0.81 0.81 0.81 0.81 0.81 -0.94 -0.94 0.81 0.81 0.93 -0.28 0.81 0.81 0.81 0.81 -0.94 -0.94 -0.28
46 0.64 0.64 0.59 0.59 0.59 0.59 -0.07 0.64 0.64 0.59 0.64 0.64 0.64 0.64 0.59 0.64 0.59 0.64 0.64 0.64
47 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.04 0.04
48 1.29 -0.35 -0.35 1.29 1.29 1.29 1.29 1.29 -0.35 1.29 1.29 1.29 1.29 1.29 1.29 1.29 -0.35 -0.35 -0.35 1.29
49 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
50 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.52 0.14 0.14 0.14 0.14 -0.52 0.14 0.14
51 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
52 1.09 1.09 1.09 1.09 1.30 1.09 1.30 1.30 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.30 1.30 1.09
53 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 -0.41 0.84 0.84 0.84 -0.41 -0.41 0.84 0.84 0.84 0.84 0.84
54 -0.35 0.09 -0.35 -0.35 -0.35 0.26 -0.35 0.09 -0.35 -0.35 -0.35 -0.35 -0.35 0.26 -0.35 0.09 -0.35 0.09 -0.35 0.26
55 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
56 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
57 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
58 -0.37 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41
59 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
60 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
61 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -1.01 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88
62 1.07 1.07 1.07 1.07 1.07 1.50 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.50 1.07 1.07 1.07 1.07 1.50
63 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
64 0.96 0.96 1.62 1.62 1.62 1.62 0.96 0.96 0.96 0.96 0.96 1.62 0.96 1.62 1.62 1.62 1.62 1.62 1.62 0.96
65 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
66 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
67 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 0.34 0.34 0.34 0.34 0.51 0.34 0.34
68 0.93 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81
69 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
70 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42
71 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
72 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
73 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
74 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
75 0.41 -0.42 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.42 0.41 -0.42 0.41 0.41 0.41 -0.68
76 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
77 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 -0.05 0.80 0.80 0.80
78 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
79 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
80 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.71 0.44
81 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68
82 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28
#Reported_Model_Average 0.482 0.461 0.490 0.498 0.526 0.500 0.480 0.453 0.493 0.478 0.489 0.492 0.447 0.473 0.489 0.490 0.448 0.443 0.455 0.459
#Overall_Average_Reported 0.477
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
8 0.47 -0.10 0.47 0.47 -0.10 -0.10 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 -0.10 0.47 0.47 0.47 0.47 0.47 -0.10
9 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.25 0.25
10 -0.35 0.09 1.07 -0.35 1.07 -0.35 -0.35 -0.35 1.07 -0.35 -0.35 -0.35 -0.35 0.09 -0.35 0.26 0.09 0.09 0.09 0.09
11 0.71 0.71 0.16 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.16 0.71 0.71 0.71 0.71 0.71 0.16 0.71 0.71
12 0.84 0.19 0.19 0.19 0.84 0.19 0.84 0.19 0.84 0.84 0.19 0.19 -0.89 0.19 0.19 0.19 0.19 0.19 0.19 0.19
13 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
14 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 -0.56 -0.56 0.37 0.37 0.37 0.37 0.37 0.37 -0.56 0.37 0.37
15 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
16 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.59 0.64 0.64 0.64 0.64 0.64 0.64 0.59 0.59 0.64
17 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 0.51 0.41 0.41 0.51 0.51 0.41
18 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
19 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
20 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24
21 0.79 0.79 0.79 0.95 0.79 0.79 0.79 0.79 0.95 0.79 0.79 0.79 0.95 0.79 0.79 0.95 0.79 0.79 0.79 0.79
22 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 1.18 0.44 0.44 0.44 0.08 0.44 0.08 0.44 0.44 0.44 0.44 0.08
23 0.71 1.18 0.44 1.18 1.18 1.18 1.18 0.44 1.18 1.18 1.18 0.71 0.71 1.18 1.18 0.71 0.44 1.18 1.18 1.18
24 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -0.88 -1.01 -0.88 -0.88 -1.01 -0.88 -1.01 -1.01 -1.01 -0.88 -1.01 -0.88 -0.88
25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
26 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24
27 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35
28 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
29 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
30 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
31 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.41 0.74 0.74
32 0.56 0.56 1.10 0.56 1.10 1.10 -0.51 -0.51 0.56 1.10 1.10 1.10 1.10 1.10 1.10 1.10 0.56 0.56 1.10 -0.51
33 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
34 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
35 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
36 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
37 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.07 0.66 0.66 0.07 0.66
38 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
39 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
40 -0.27 -0.42 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.42 -0.42 -0.42 -0.27 -0.27 -0.27 -0.42 -0.27 -0.27 -0.27 -0.27
41 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -1.30 -0.83 -0.83 -0.83 -0.83 -1.30 -0.83
42 0.24 0.71 0.71 0.24 0.24 0.24 0.24 0.71 0.24 0.71 0.71 0.24 0.24 0.24 0.24 -0.44 0.24 0.71 0.24 0.71
43 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
44 0.77 0.77 0.77 0.77 0.77 0.77 1.06 1.06 1.06 0.77 0.77 1.06 1.06 0.77 0.77 1.06 0.77 1.06 1.06 1.06
45 0.81 0.81 0.81 0.81 0.81 0.81 0.81 -0.94 -0.94 0.81 0.81 0.93 -0.28 0.81 0.81 0.81 0.81 -0.94 -0.94 -0.28
46 0.64 0.64 0.59 0.59 0.59 0.59 -0.07 0.64 0.64 0.59 0.64 0.64 0.64 0.64 0.59 0.64 0.59 0.64 0.64 0.64
47 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.04 0.04
48 1.29 -0.35 -0.35 1.29 1.29 1.29 1.29 1.29 -0.35 1.29 1.29 1.29 1.29 1.29 1.29 1.29 -0.35 -0.35 -0.35 1.29
49 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
50 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.52 0.14 0.14 0.14 0.14 -0.52 0.14 0.14
51 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
52 1.09 1.09 1.09 1.09 1.30 1.09 1.30 1.30 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.30 1.30 1.09
53 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 -0.41 0.84 0.84 0.84 -0.41 -0.41 0.84 0.84 0.84 0.84 0.84
54 -0.35 0.09 -0.35 -0.35 -0.35 0.26 -0.35 0.09 -0.35 -0.35 -0.35 -0.35 -0.35 0.26 -0.35 0.09 -0.35 0.09 -0.35 0.26
55 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
56 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
57 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
58 -0.37 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41
59 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
60 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
61 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -1.01 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88
62 1.07 1.07 1.07 1.07 1.07 1.50 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.50 1.07 1.07 1.07 1.07 1.50
63 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
64 0.96 0.96 1.62 1.62 1.62 1.62 0.96 0.96 0.96 0.96 0.96 1.62 0.96 1.62 1.62 1.62 1.62 1.62 1.62 0.96
65 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
66 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
67 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 0.34 0.34 0.34 0.34 0.51 0.34 0.34
68 0.93 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81
69 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
70 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42
71 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
72 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
73 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
74 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
75 0.41 -0.42 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.42 0.41 -0.42 0.41 0.41 0.41 -0.68
76 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
77 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 -0.05 0.80 0.80 0.80
78 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
79 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
80 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.71 0.44
81 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68
82 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28
#Reported_Model_Average 0.482 0.461 0.490 0.498 0.526 0.500 0.480 0.453 0.493 0.478 0.489 0.492 0.447 0.473 0.489 0.490 0.448 0.443 0.455 0.459
#Overall_Average_Reported 0.477
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
8.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
9.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
10.000 0 2 2 0 2 0 0 0 2 0 0 2 0 0 0 0 2 0 0 0
11.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
12.000 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0
13.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
15.000 1 1 0 1 1 2 1 0 1 1 1 1 1 1 1 2 2 1 1 0
16.000 1 1 0 0 1 2 0 1 0 0 1 0 1 1 1 0 1 0 0 1
17.000 1 1 0 0 1 1 0 1 0 0 1 0 1 1 1 0 1 0 0 1
18.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
19.000 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0
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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
22.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
23.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
24.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
25.000 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0
26.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
27.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
28.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
29.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
30.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
31.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
32.000 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
34.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
35.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
36.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
37.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
38.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
39.000 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0
40.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
41.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
42.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
43.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
44.000 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0
45.000 0 0 1 0 1 1 0 0 1 1 1 1 0 1 0 0 0 0 0 0
46.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
47.000 0 0 1 0 1 0 0 0 1 1 1 0 0 1 0 0 0 0 0 0
48.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
49.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
50.000 0 0 0 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0
51.000 1 0 0 1 0 0 0 0 1 0 0 1 1 1 1 0 0 2 1 0
52.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
53.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
54.000 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0
55.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
56.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
57.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
58.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
59.000 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0
60.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
61.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
62.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
63.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
64.000 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0
65.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
66.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
67.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
68.000 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0
69.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
70.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
71.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
72.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
73.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
74.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
75.000 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0
76.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0
77.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
78.000 1 0 0 1 0 0 0 0 1 0 0 1 1 0 1 0 0 1 1 0
79.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
80.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
81.000 0 0 0 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0
82.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.080 0.107 0.080 0.080 0.187 0.147 0.027 0.080 0.133 0.160 0.107 0.133 0.080 0.133 0.080 0.053 0.133 0.133 0.080 0.053
#Overall_Average_Reported 0.103
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.477: 0
: 1396:A 17 ASN 1HB :A 16 PRO O : -0.442: 0
: 1396:A 1 HIS O :A 2 MET 2HB : -0.441: 0
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.426: 0
#sum2 ::2.87 clashscore : 2.87 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155396 potential dots:9712.0 A^2:4 bumps:4 bumps B<40:502.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 10 ILE 2HD1 :A 10 ILE C : -0.485: 0
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.440: 0
: 1396:A 17 ASN 1HB :A 16 PRO O : -0.431: 0
: 1396:A 75 GLU HA :A 12 ARG O : -0.416: 0
#sum2 ::2.87 clashscore : 2.87 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155457 potential dots:9716.0 A^2:4 bumps:4 bumps B<40:488 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 44 LEU 1HB :A 39 LEU 2HB : -0.482: 0
: 1396:A 10 ILE 2HD1 :A 10 ILE C : -0.445: 0
: 1396:A 47 GLU H :A 45 ILE 1HG1 : -0.435: 0
#sum2 ::2.15 clashscore : 2.15 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155478 potential dots:9717.0 A^2:3 bumps:3 bumps B<40:470.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.500: 0
: 1396:A 50 ALA 2HB :A 81 LEU 1HD1 : -0.406: 0
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.402: 0
#sum2 ::2.15 clashscore : 2.15 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155477 potential dots:9717.0 A^2:3 bumps:3 bumps B<40:535.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.480: 0
: 1396:A 86 LEU HG :A 86 LEU O2 : -0.461: 0
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.439: 0
: 1396:A 17 ASN 1HB :A 16 PRO O : -0.437: 0
: 1396:A 10 ILE 2HD1 :A 10 ILE C : -0.434: 0
: 1396:A 50 ALA 2HB :A 81 LEU 1HD1 : -0.420: 0
: 1396:A 47 GLU H :A 45 ILE 1HG1 : -0.419: 0
: 1396:A 75 GLU HA :A 12 ARG O : -0.411: 0
#sum2 ::5.73 clashscore : 5.73 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155369 potential dots:9711.0 A^2:8 bumps:8 bumps B<40:492.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.495: 0
: 1396:A 15 LEU 2HB :A 16 PRO 1HD : -0.442: 0
: 1396:A 17 ASN 1HB :A 16 PRO O : -0.412: 0
: 1396:A 44 LEU 1HB :A 39 LEU 2HB : -0.439: 0
: 1396:A 86 LEU 1HB :A 45 ILE CG1 : -0.406: 0
: 1396:A 54 ILE 1HG1 :A 59 LYS 1HG : -0.400: 0
#sum2 ::4.30 clashscore : 4.30 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155271 potential dots:9704.0 A^2:6 bumps:6 bumps B<40:515.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.463: 0
#sum2 ::0.72 clashscore : 0.72 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155312 potential dots:9707.0 A^2:1 bumps:1 bumps B<40:514.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 17 ASN 1HB :A 16 PRO O : -0.460: 0
: 1396:A 50 ALA 2HB :A 81 LEU 1HD1 : -0.417: 0
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.417: 0
#sum2 ::2.15 clashscore : 2.15 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155325 potential dots:9708.0 A^2:3 bumps:3 bumps B<40:490 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.453: 0
: 1396:A 10 ILE 2HD1 :A 10 ILE C : -0.447: 0
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.433: 0
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.430: 0
: 1396:A 45 ILE 2HG2 :A 47 GLU H : -0.403: 0
#sum2 ::3.58 clashscore : 3.58 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155288 potential dots:9706.0 A^2:5 bumps:5 bumps B<40:543.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.490: 0
: 1396:A 75 GLU 1HG :A 12 ARG 1HB : -0.460: 0
: 1396:A 25 ALA HA :A 68 ILE 3HG2 : -0.450: 0
: 1396:A 50 ALA 2HB :A 81 LEU 1HD1 : -0.405: 0
: 1396:A 76 LEU 1HB :A 13 VAL 2HG2 : -0.402: 0
: 1396:A 45 ILE 1HG1 :A 47 GLU H : -0.400: 0
#sum2 ::4.30 clashscore : 4.30 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155509 potential dots:9719.0 A^2:6 bumps:6 bumps B<40:485.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.474: 0
: 1396:A 17 ASN 1HB :A 16 PRO O : -0.447: 0
: 1396:A 1 HIS O :A 2 MET 2HB : -0.440: 0
: 1396:A 54 ILE 1HG1 :A 59 LYS 1HG : -0.431: 0
: 1396:A 45 ILE 2HG2 :A 47 GLU H : -0.426: 0
#sum2 ::3.58 clashscore : 3.58 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155498 potential dots:9719.0 A^2:5 bumps:5 bumps B<40:480.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.465: 0
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.458: 0
: 1396:A 10 ILE 2HD1 :A 10 ILE C : -0.458: 0
: 1396:A 48 CYS SG :A 45 ILE 2HG2 : -0.456: 0
: 1396:A 25 ALA HA :A 68 ILE 3HG2 : -0.401: 0
#sum2 ::3.58 clashscore : 3.58 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155393 potential dots:9712.0 A^2:5 bumps:5 bumps B<40:508.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 17 ASN 1HB :A 16 PRO O : -0.469: 0
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.462: 0
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.455: 0
: 1396:A 1 HIS O :A 2 MET 2HB : -0.443: 0
#sum2 ::2.87 clashscore : 2.87 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155342 potential dots:9709.0 A^2:4 bumps:4 bumps B<40:495.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 17 ASN 1HB :A 16 PRO O : -0.430: 0
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.421: 0
: 1396:A 62 ILE 2HG1 :A 51 VAL 3HG1 : -0.410: 0
: 1396:A 45 ILE 2HG2 :A 47 GLU H : -0.404: 0
: 1396:A 44 LEU 1HB :A 39 LEU 2HB : -0.402: 0
#sum2 ::3.58 clashscore : 3.58 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155354 potential dots:9710.0 A^2:5 bumps:5 bumps B<40:491.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.477: 0
: 1396:A 17 ASN 1HB :A 16 PRO O : -0.465: 0
: 1396:A 1 HIS O :A 2 MET 2HB : -0.447: 0
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.416: 0
#sum2 ::2.87 clashscore : 2.87 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155535 potential dots:9721.0 A^2:4 bumps:4 bumps B<40:493.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.497: 0
: 1396:A 15 LEU 3HD1 :A 42 ARG 1HB : -0.418: 0
#sum2 ::1.43 clashscore : 1.43 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155663 potential dots:9729.0 A^2:2 bumps:2 bumps B<40:502 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 10 ILE 2HD1 :A 10 ILE C : -0.509: 0
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.430: 0
: 1396:A 15 LEU 1HD1 :A 38 ALA 1HB : -0.414: 0
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.417: 0
: 1396:A 17 ASN 1HB :A 16 PRO O : -0.409: 0
#sum2 ::3.58 clashscore : 3.58 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155409 potential dots:9713.0 A^2:5 bumps:5 bumps B<40:460.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.489: 0
: 1396:A 54 ILE 1HG1 :A 59 LYS 1HG : -0.435: 0
: 1396:A 76 LEU 1HD1 :A 51 VAL HB : -0.430: 0
: 1396:A 51 VAL 2HG1 :A 78 VAL 2HG2 : -0.426: 0
: 1396:A 40 MET 2HB :A 37 LYS HA : -0.401: 0
#sum2 ::3.58 clashscore : 3.58 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155572 potential dots:9723.0 A^2:5 bumps:5 bumps B<40:483.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.493: 0
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.436: 0
: 1396:A 75 GLU HA :A 12 ARG O : -0.400: 0
#sum2 ::2.15 clashscore : 2.15 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155365 potential dots:9710.0 A^2:3 bumps:3 bumps B<40:517.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 17 ASN 1HB :A 16 PRO O : -0.428: 0
: 1396:A 32 ARG O :A 36 LYS N : -0.408: 0
#sum2 ::1.43 clashscore : 1.43 clashscore B<40
#summary::1396 atoms:1396 atoms B<40:155448 potential dots:9716.0 A^2:2 bumps:2 bumps B<40:494 score
Output from PDB validation software
Summary from PDB validation
May. 10, 09:31:20 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
none
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.011 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.8 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-7.5 CYS A 27 1 N - CA - CB 103.0 110.5
-8.0 CYS A 48 1 N - CA - CB 102.5 110.5
-7.8 CYS A 49 1 N - CA - CB 102.7 110.5
-7.6 CYS A 27 2 N - CA - CB 102.9 110.5
-8.1 CYS A 48 2 N - CA - CB 102.4 110.5
-7.7 CYS A 49 2 N - CA - CB 102.8 110.5
-7.6 CYS A 27 3 N - CA - CB 102.9 110.5
-7.9 CYS A 48 3 N - CA - CB 102.6 110.5
-8.0 CYS A 49 3 N - CA - CB 102.5 110.5
-7.8 CYS A 27 4 N - CA - CB 102.7 110.5
-8.0 CYS A 48 4 N - CA - CB 102.5 110.5
-7.8 CYS A 49 4 N - CA - CB 102.7 110.5
-7.5 CYS A 27 5 N - CA - CB 103.0 110.5
-7.8 CYS A 48 5 N - CA - CB 102.7 110.5
-8.0 CYS A 49 5 N - CA - CB 102.5 110.5
-7.7 CYS A 27 6 N - CA - CB 102.8 110.5
-7.8 CYS A 48 6 N - CA - CB 102.7 110.5
-7.6 CYS A 49 6 N - CA - CB 102.9 110.5
-7.5 CYS A 27 7 N - CA - CB 103.0 110.5
-8.0 CYS A 48 7 N - CA - CB 102.5 110.5
-8.0 CYS A 49 7 N - CA - CB 102.5 110.5
-7.7 CYS A 27 8 N - CA - CB 102.8 110.5
-8.0 CYS A 48 8 N - CA - CB 102.5 110.5
-8.0 CYS A 49 8 N - CA - CB 102.5 110.5
-7.6 CYS A 27 9 N - CA - CB 102.9 110.5
-7.8 CYS A 48 9 N - CA - CB 102.7 110.5
-7.7 CYS A 49 9 N - CA - CB 102.8 110.5
-7.6 CYS A 27 10 N - CA - CB 102.9 110.5
-7.9 CYS A 48 10 N - CA - CB 102.6 110.5
-8.0 CYS A 49 10 N - CA - CB 102.5 110.5
-7.7 CYS A 27 11 N - CA - CB 102.8 110.5
-7.8 CYS A 48 11 N - CA - CB 102.7 110.5
-7.9 CYS A 49 11 N - CA - CB 102.6 110.5
-7.7 CYS A 27 12 N - CA - CB 102.8 110.5
-8.1 CYS A 48 12 N - CA - CB 102.4 110.5
-7.9 CYS A 49 12 N - CA - CB 102.6 110.5
-7.7 CYS A 27 13 N - CA - CB 102.8 110.5
-8.0 CYS A 48 13 N - CA - CB 102.5 110.5
-7.9 CYS A 49 13 N - CA - CB 102.6 110.5
-7.8 CYS A 27 14 N - CA - CB 102.7 110.5
-7.6 CYS A 48 14 N - CA - CB 102.9 110.5
-7.9 CYS A 49 14 N - CA - CB 102.6 110.5
-7.6 CYS A 27 15 N - CA - CB 102.9 110.5
-7.8 CYS A 48 15 N - CA - CB 102.7 110.5
-7.9 CYS A 49 15 N - CA - CB 102.6 110.5
-7.7 CYS A 27 16 N - CA - CB 102.8 110.5
-7.7 CYS A 48 16 N - CA - CB 102.8 110.5
-7.8 CYS A 49 16 N - CA - CB 102.7 110.5
-7.8 CYS A 27 17 N - CA - CB 102.7 110.5
-8.0 CYS A 48 17 N - CA - CB 102.5 110.5
-8.2 CYS A 49 17 N - CA - CB 102.3 110.5
-7.5 CYS A 27 18 N - CA - CB 103.0 110.5
-7.9 CYS A 48 18 N - CA - CB 102.6 110.5
-7.9 CYS A 49 18 N - CA - CB 102.6 110.5
-7.7 CYS A 27 19 N - CA - CB 102.8 110.5
-7.8 CYS A 48 19 N - CA - CB 102.7 110.5
-8.0 CYS A 49 19 N - CA - CB 102.5 110.5
-7.8 CYS A 27 20 N - CA - CB 102.7 110.5
-7.7 CYS A 48 20 N - CA - CB 102.8 110.5
-7.8 CYS A 49 20 N - CA - CB 102.7 110.5
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A GLN 7 1HE2
1 A GLN 7 2HE2
1 A ASN 17 1HD2
1 A ASN 17 2HD2
1 A GLN 19 1HE2
1 A GLN 19 2HE2
1 A GLN 55 1HE2
1 A GLN 55 2HE2
1 A ASN 83 1HD2
1 A ASN 83 2HD2
2 A GLN 7 1HE2
2 A GLN 7 2HE2
2 A ASN 17 1HD2
2 A ASN 17 2HD2
2 A GLN 19 1HE2
2 A GLN 19 2HE2
2 A GLN 55 1HE2
2 A GLN 55 2HE2
2 A ASN 83 1HD2
2 A ASN 83 2HD2
3 A GLN 7 1HE2
3 A GLN 7 2HE2
3 A ASN 17 1HD2
3 A ASN 17 2HD2
3 A GLN 19 1HE2
3 A GLN 19 2HE2
3 A GLN 55 1HE2
3 A GLN 55 2HE2
3 A ASN 83 1HD2
3 A ASN 83 2HD2
4 A GLN 7 1HE2
4 A GLN 7 2HE2
4 A ASN 17 1HD2
4 A ASN 17 2HD2
4 A GLN 19 1HE2
4 A GLN 19 2HE2
4 A GLN 55 1HE2
4 A GLN 55 2HE2
4 A ASN 83 1HD2
4 A ASN 83 2HD2
5 A GLN 7 1HE2
5 A GLN 7 2HE2
5 A ASN 17 1HD2
5 A ASN 17 2HD2
5 A GLN 19 1HE2
5 A GLN 19 2HE2
5 A GLN 55 1HE2
5 A GLN 55 2HE2
5 A ASN 83 1HD2
5 A ASN 83 2HD2
6 A GLN 7 1HE2
6 A GLN 7 2HE2
6 A ASN 17 1HD2
6 A ASN 17 2HD2
6 A GLN 19 1HE2
6 A GLN 19 2HE2
6 A GLN 55 1HE2
6 A GLN 55 2HE2
6 A ASN 83 1HD2
6 A ASN 83 2HD2
7 A GLN 7 1HE2
7 A GLN 7 2HE2
7 A ASN 17 1HD2
7 A ASN 17 2HD2
7 A GLN 19 1HE2
7 A GLN 19 2HE2
7 A GLN 55 1HE2
7 A GLN 55 2HE2
7 A ASN 83 1HD2
7 A ASN 83 2HD2
8 A GLN 7 1HE2
8 A GLN 7 2HE2
8 A ASN 17 1HD2
8 A ASN 17 2HD2
8 A GLN 19 1HE2
8 A GLN 19 2HE2
8 A GLN 55 1HE2
8 A GLN 55 2HE2
8 A ASN 83 1HD2
8 A ASN 83 2HD2
9 A GLN 7 1HE2
9 A GLN 7 2HE2
9 A ASN 17 1HD2
9 A ASN 17 2HD2
9 A GLN 19 1HE2
9 A GLN 19 2HE2
9 A GLN 55 1HE2
9 A GLN 55 2HE2
9 A ASN 83 1HD2
9 A ASN 83 2HD2
10 A GLN 7 1HE2
10 A GLN 7 2HE2
10 A ASN 17 1HD2
10 A ASN 17 2HD2
10 A GLN 19 1HE2
10 A GLN 19 2HE2
10 A GLN 55 1HE2
10 A GLN 55 2HE2
10 A ASN 83 1HD2
10 A ASN 83 2HD2
11 A GLN 7 1HE2
11 A GLN 7 2HE2
11 A ASN 17 1HD2
11 A ASN 17 2HD2
11 A GLN 19 1HE2
11 A GLN 19 2HE2
11 A GLN 55 1HE2
11 A GLN 55 2HE2
11 A ASN 83 1HD2
11 A ASN 83 2HD2
12 A GLN 7 1HE2
12 A GLN 7 2HE2
12 A ASN 17 1HD2
12 A ASN 17 2HD2
12 A GLN 19 1HE2
12 A GLN 19 2HE2
12 A GLN 55 1HE2
12 A GLN 55 2HE2
12 A ASN 83 1HD2
12 A ASN 83 2HD2
13 A GLN 7 1HE2
13 A GLN 7 2HE2
13 A ASN 17 1HD2
13 A ASN 17 2HD2
13 A GLN 19 1HE2
13 A GLN 19 2HE2
13 A GLN 55 1HE2
13 A GLN 55 2HE2
13 A ASN 83 1HD2
13 A ASN 83 2HD2
14 A GLN 7 1HE2
14 A GLN 7 2HE2
14 A ASN 17 1HD2
14 A ASN 17 2HD2
14 A GLN 19 1HE2
14 A GLN 19 2HE2
14 A GLN 55 1HE2
14 A GLN 55 2HE2
14 A ASN 83 1HD2
14 A ASN 83 2HD2
15 A GLN 7 1HE2
15 A GLN 7 2HE2
15 A ASN 17 1HD2
15 A ASN 17 2HD2
15 A GLN 19 1HE2
15 A GLN 19 2HE2
15 A GLN 55 1HE2
15 A GLN 55 2HE2
15 A ASN 83 1HD2
15 A ASN 83 2HD2
16 A GLN 7 1HE2
16 A GLN 7 2HE2
16 A ASN 17 1HD2
16 A ASN 17 2HD2
16 A GLN 19 1HE2
16 A GLN 19 2HE2
16 A GLN 55 1HE2
16 A GLN 55 2HE2
16 A ASN 83 1HD2
16 A ASN 83 2HD2
17 A GLN 7 1HE2
17 A GLN 7 2HE2
17 A ASN 17 1HD2
17 A ASN 17 2HD2
17 A GLN 19 1HE2
17 A GLN 19 2HE2
17 A GLN 55 1HE2
17 A GLN 55 2HE2
17 A ASN 83 1HD2
17 A ASN 83 2HD2
18 A GLN 7 1HE2
18 A GLN 7 2HE2
18 A ASN 17 1HD2
18 A ASN 17 2HD2
18 A GLN 19 1HE2
18 A GLN 19 2HE2
18 A GLN 55 1HE2
18 A GLN 55 2HE2
18 A ASN 83 1HD2
18 A ASN 83 2HD2
19 A GLN 7 1HE2
19 A GLN 7 2HE2
19 A ASN 17 1HD2
19 A ASN 17 2HD2
19 A GLN 19 1HE2
19 A GLN 19 2HE2
19 A GLN 55 1HE2
19 A GLN 55 2HE2
19 A ASN 83 1HD2
19 A ASN 83 2HD2
20 A GLN 7 1HE2
20 A GLN 7 2HE2
20 A ASN 17 1HD2
20 A ASN 17 2HD2
20 A GLN 19 1HE2
20 A GLN 19 2HE2
20 A GLN 55 1HE2
20 A GLN 55 2HE2
20 A ASN 83 1HD2
20 A ASN 83 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
HIS( 1 A -85 )
MET( 1 A -84 )
PRO( 1 A -83 )
LYS( 1 A -82 )
SER( 1 A -81 )
PRO( 1 A -80 )
GLN( 1 A -79 )
LYS( 1 A -78 )
PRO( 1 A -77 )
ILE( 1 A -76 )
VAL( 1 A -75 )
ARG( 1 A -74 )
VAL( 1 A -73 )
PHE( 1 A -72 )
LEU( 1 A -71 )
PRO( 1 A -70 )
ASN( 1 A -69 )
LYS( 1 A -68 )
GLN( 1 A -67 )
ARG( 1 A -66 )
THR( 1 A -65 )
VAL( 1 A -64 )
VAL( 1 A -63 )
PRO( 1 A -62 )
ALA( 1 A -61 )
ARG( 1 A -60 )
CYS( 1 A -59 )
GLY( 1 A -58 )
VAL( 1 A -57 )
THR( 1 A -56 )
VAL( 1 A -55 )
ARG( 1 A -54 )
ASP( 1 A -53 )
SER( 1 A -52 )
LEU( 1 A -51 )
LYS( 1 A -50 )
LYS( 1 A -49 )
ALA( 1 A -48 )
LEU( 1 A -47 )
MET( 1 A -46 )
MET( 1 A -45 )
ARG( 1 A -44 )
GLY( 1 A -43 )
LEU( 1 A -42 )
ILE( 1 A -41 )
PRO( 1 A -40 )
GLU( 1 A -39 )
CYS( 1 A -38 )
CYS( 1 A -37 )
ALA( 1 A -36 )
VAL( 1 A -35 )
TYR( 1 A -34 )
ARG( 1 A -33 )
ILE( 1 A -32 )
GLN( 1 A -31 )
ASP( 1 A -30 )
GLY( 1 A -29 )
GLU( 1 A -28 )
LYS( 1 A -27 )
LYS( 1 A -26 )
PRO( 1 A -25 )
ILE( 1 A -24 )
GLY( 1 A -23 )
TRP( 1 A -22 )
ASP( 1 A -21 )
THR( 1 A -20 )
ASP( 1 A -19 )
ILE( 1 A -18 )
SER( 1 A -17 )
TRP( 1 A -16 )
LEU( 1 A -15 )
THR( 1 A -14 )
GLY( 1 A -13 )
GLU( 1 A -12 )
GLU( 1 A -11 )
LEU( 1 A -10 )
HIS( 1 A -9 )
VAL( 1 A -8 )
GLU( 1 A -7 )
VAL( 1 A -6 )
LEU( 1 A -5 )
GLU( 1 A -4 )
ASN( 1 A -3 )
VAL( 1 A -2 )
PRO( 1 A -1 )
LEU( 1 A 0 )
HIS( 2 A -85 )
MET( 2 A -84 )
PRO( 2 A -83 )
LYS( 2 A -82 )
SER( 2 A -81 )
PRO( 2 A -80 )
GLN( 2 A -79 )
LYS( 2 A -78 )
PRO( 2 A -77 )
ILE( 2 A -76 )
VAL( 2 A -75 )
ARG( 2 A -74 )
VAL( 2 A -73 )
PHE( 2 A -72 )
LEU( 2 A -71 )
PRO( 2 A -70 )
ASN( 2 A -69 )
LYS( 2 A -68 )
GLN( 2 A -67 )
ARG( 2 A -66 )
THR( 2 A -65 )
VAL( 2 A -64 )
VAL( 2 A -63 )
PRO( 2 A -62 )
ALA( 2 A -61 )
ARG( 2 A -60 )
CYS( 2 A -59 )
GLY( 2 A -58 )
VAL( 2 A -57 )
THR( 2 A -56 )
VAL( 2 A -55 )
ARG( 2 A -54 )
ASP( 2 A -53 )
SER( 2 A -52 )
LEU( 2 A -51 )
LYS( 2 A -50 )
LYS( 2 A -49 )
ALA( 2 A -48 )
LEU( 2 A -47 )
MET( 2 A -46 )
MET( 2 A -45 )
ARG( 2 A -44 )
GLY( 2 A -43 )
LEU( 2 A -42 )
ILE( 2 A -41 )
PRO( 2 A -40 )
GLU( 2 A -39 )
CYS( 2 A -38 )
CYS( 2 A -37 )
ALA( 2 A -36 )
VAL( 2 A -35 )
TYR( 2 A -34 )
ARG( 2 A -33 )
ILE( 2 A -32 )
GLN( 2 A -31 )
ASP( 2 A -30 )
GLY( 2 A -29 )
GLU( 2 A -28 )
LYS( 2 A -27 )
LYS( 2 A -26 )
PRO( 2 A -25 )
ILE( 2 A -24 )
GLY( 2 A -23 )
TRP( 2 A -22 )
ASP( 2 A -21 )
THR( 2 A -20 )
ASP( 2 A -19 )
ILE( 2 A -18 )
SER( 2 A -17 )
TRP( 2 A -16 )
LEU( 2 A -15 )
THR( 2 A -14 )
GLY( 2 A -13 )
GLU( 2 A -12 )
GLU( 2 A -11 )
LEU( 2 A -10 )
HIS( 2 A -9 )
VAL( 2 A -8 )
GLU( 2 A -7 )
VAL( 2 A -6 )
LEU( 2 A -5 )
GLU( 2 A -4 )
ASN( 2 A -3 )
VAL( 2 A -2 )
PRO( 2 A -1 )
LEU( 2 A 0 )
HIS( 3 A -85 )
MET( 3 A -84 )
PRO( 3 A -83 )
LYS( 3 A -82 )
SER( 3 A -81 )
PRO( 3 A -80 )
GLN( 3 A -79 )
LYS( 3 A -78 )
PRO( 3 A -77 )
ILE( 3 A -76 )
VAL( 3 A -75 )
ARG( 3 A -74 )
VAL( 3 A -73 )
PHE( 3 A -72 )
LEU( 3 A -71 )
PRO( 3 A -70 )
ASN( 3 A -69 )
LYS( 3 A -68 )
GLN( 3 A -67 )
ARG( 3 A -66 )
THR( 3 A -65 )
VAL( 3 A -64 )
VAL( 3 A -63 )
PRO( 3 A -62 )
ALA( 3 A -61 )
ARG( 3 A -60 )
CYS( 3 A -59 )
GLY( 3 A -58 )
VAL( 3 A -57 )
THR( 3 A -56 )
VAL( 3 A -55 )
ARG( 3 A -54 )
ASP( 3 A -53 )
SER( 3 A -52 )
LEU( 3 A -51 )
LYS( 3 A -50 )
LYS( 3 A -49 )
ALA( 3 A -48 )
LEU( 3 A -47 )
MET( 3 A -46 )
MET( 3 A -45 )
ARG( 3 A -44 )
GLY( 3 A -43 )
LEU( 3 A -42 )
ILE( 3 A -41 )
PRO( 3 A -40 )
GLU( 3 A -39 )
CYS( 3 A -38 )
CYS( 3 A -37 )
ALA( 3 A -36 )
VAL( 3 A -35 )
TYR( 3 A -34 )
ARG( 3 A -33 )
ILE( 3 A -32 )
GLN( 3 A -31 )
ASP( 3 A -30 )
GLY( 3 A -29 )
GLU( 3 A -28 )
LYS( 3 A -27 )
LYS( 3 A -26 )
PRO( 3 A -25 )
ILE( 3 A -24 )
GLY( 3 A -23 )
TRP( 3 A -22 )
ASP( 3 A -21 )
THR( 3 A -20 )
ASP( 3 A -19 )
ILE( 3 A -18 )
SER( 3 A -17 )
TRP( 3 A -16 )
LEU( 3 A -15 )
THR( 3 A -14 )
GLY( 3 A -13 )
GLU( 3 A -12 )
GLU( 3 A -11 )
LEU( 3 A -10 )
HIS( 3 A -9 )
VAL( 3 A -8 )
GLU( 3 A -7 )
VAL( 3 A -6 )
LEU( 3 A -5 )
GLU( 3 A -4 )
ASN( 3 A -3 )
VAL( 3 A -2 )
PRO( 3 A -1 )
LEU( 3 A 0 )
HIS( 4 A -85 )
MET( 4 A -84 )
PRO( 4 A -83 )
LYS( 4 A -82 )
SER( 4 A -81 )
PRO( 4 A -80 )
GLN( 4 A -79 )
LYS( 4 A -78 )
PRO( 4 A -77 )
ILE( 4 A -76 )
VAL( 4 A -75 )
ARG( 4 A -74 )
VAL( 4 A -73 )
PHE( 4 A -72 )
LEU( 4 A -71 )
PRO( 4 A -70 )
ASN( 4 A -69 )
LYS( 4 A -68 )
GLN( 4 A -67 )
ARG( 4 A -66 )
THR( 4 A -65 )
VAL( 4 A -64 )
VAL( 4 A -63 )
PRO( 4 A -62 )
ALA( 4 A -61 )
ARG( 4 A -60 )
CYS( 4 A -59 )
GLY( 4 A -58 )
VAL( 4 A -57 )
THR( 4 A -56 )
VAL( 4 A -55 )
ARG( 4 A -54 )
ASP( 4 A -53 )
SER( 4 A -52 )
LEU( 4 A -51 )
LYS( 4 A -50 )
LYS( 4 A -49 )
ALA( 4 A -48 )
LEU( 4 A -47 )
MET( 4 A -46 )
MET( 4 A -45 )
ARG( 4 A -44 )
GLY( 4 A -43 )
LEU( 4 A -42 )
ILE( 4 A -41 )
PRO( 4 A -40 )
GLU( 4 A -39 )
CYS( 4 A -38 )
CYS( 4 A -37 )
ALA( 4 A -36 )
VAL( 4 A -35 )
TYR( 4 A -34 )
ARG( 4 A -33 )
ILE( 4 A -32 )
GLN( 4 A -31 )
ASP( 4 A -30 )
GLY( 4 A -29 )
GLU( 4 A -28 )
LYS( 4 A -27 )
LYS( 4 A -26 )
PRO( 4 A -25 )
ILE( 4 A -24 )
GLY( 4 A -23 )
TRP( 4 A -22 )
ASP( 4 A -21 )
THR( 4 A -20 )
ASP( 4 A -19 )
ILE( 4 A -18 )
SER( 4 A -17 )
TRP( 4 A -16 )
LEU( 4 A -15 )
THR( 4 A -14 )
GLY( 4 A -13 )
GLU( 4 A -12 )
GLU( 4 A -11 )
LEU( 4 A -10 )
HIS( 4 A -9 )
VAL( 4 A -8 )
GLU( 4 A -7 )
VAL( 4 A -6 )
LEU( 4 A -5 )
GLU( 4 A -4 )
ASN( 4 A -3 )
VAL( 4 A -2 )
PRO( 4 A -1 )
LEU( 4 A 0 )
HIS( 5 A -85 )
MET( 5 A -84 )
PRO( 5 A -83 )
LYS( 5 A -82 )
SER( 5 A -81 )
PRO( 5 A -80 )
GLN( 5 A -79 )
LYS( 5 A -78 )
PRO( 5 A -77 )
ILE( 5 A -76 )
VAL( 5 A -75 )
ARG( 5 A -74 )
VAL( 5 A -73 )
PHE( 5 A -72 )
LEU( 5 A -71 )
PRO( 5 A -70 )
ASN( 5 A -69 )
LYS( 5 A -68 )
GLN( 5 A -67 )
ARG( 5 A -66 )
THR( 5 A -65 )
VAL( 5 A -64 )
VAL( 5 A -63 )
PRO( 5 A -62 )
ALA( 5 A -61 )
ARG( 5 A -60 )
CYS( 5 A -59 )
GLY( 5 A -58 )
VAL( 5 A -57 )
THR( 5 A -56 )
VAL( 5 A -55 )
ARG( 5 A -54 )
ASP( 5 A -53 )
SER( 5 A -52 )
LEU( 5 A -51 )
LYS( 5 A -50 )
LYS( 5 A -49 )
ALA( 5 A -48 )
LEU( 5 A -47 )
MET( 5 A -46 )
MET( 5 A -45 )
ARG( 5 A -44 )
GLY( 5 A -43 )
LEU( 5 A -42 )
ILE( 5 A -41 )
PRO( 5 A -40 )
GLU( 5 A -39 )
CYS( 5 A -38 )
CYS( 5 A -37 )
ALA( 5 A -36 )
VAL( 5 A -35 )
TYR( 5 A -34 )
ARG( 5 A -33 )
ILE( 5 A -32 )
GLN( 5 A -31 )
ASP( 5 A -30 )
GLY( 5 A -29 )
GLU( 5 A -28 )
LYS( 5 A -27 )
LYS( 5 A -26 )
PRO( 5 A -25 )
ILE( 5 A -24 )
GLY( 5 A -23 )
TRP( 5 A -22 )
ASP( 5 A -21 )
THR( 5 A -20 )
ASP( 5 A -19 )
ILE( 5 A -18 )
SER( 5 A -17 )
TRP( 5 A -16 )
LEU( 5 A -15 )
THR( 5 A -14 )
GLY( 5 A -13 )
GLU( 5 A -12 )
GLU( 5 A -11 )
LEU( 5 A -10 )
HIS( 5 A -9 )
VAL( 5 A -8 )
GLU( 5 A -7 )
VAL( 5 A -6 )
LEU( 5 A -5 )
GLU( 5 A -4 )
ASN( 5 A -3 )
VAL( 5 A -2 )
PRO( 5 A -1 )
LEU( 5 A 0 )
HIS( 6 A -85 )
MET( 6 A -84 )
PRO( 6 A -83 )
LYS( 6 A -82 )
SER( 6 A -81 )
PRO( 6 A -80 )
GLN( 6 A -79 )
LYS( 6 A -78 )
PRO( 6 A -77 )
ILE( 6 A -76 )
VAL( 6 A -75 )
ARG( 6 A -74 )
VAL( 6 A -73 )
PHE( 6 A -72 )
LEU( 6 A -71 )
PRO( 6 A -70 )
ASN( 6 A -69 )
LYS( 6 A -68 )
GLN( 6 A -67 )
ARG( 6 A -66 )
THR( 6 A -65 )
VAL( 6 A -64 )
VAL( 6 A -63 )
PRO( 6 A -62 )
ALA( 6 A -61 )
ARG( 6 A -60 )
CYS( 6 A -59 )
GLY( 6 A -58 )
VAL( 6 A -57 )
THR( 6 A -56 )
VAL( 6 A -55 )
ARG( 6 A -54 )
ASP( 6 A -53 )
SER( 6 A -52 )
LEU( 6 A -51 )
LYS( 6 A -50 )
LYS( 6 A -49 )
ALA( 6 A -48 )
LEU( 6 A -47 )
MET( 6 A -46 )
MET( 6 A -45 )
ARG( 6 A -44 )
GLY( 6 A -43 )
LEU( 6 A -42 )
ILE( 6 A -41 )
PRO( 6 A -40 )
GLU( 6 A -39 )
CYS( 6 A -38 )
CYS( 6 A -37 )
ALA( 6 A -36 )
VAL( 6 A -35 )
TYR( 6 A -34 )
ARG( 6 A -33 )
ILE( 6 A -32 )
GLN( 6 A -31 )
ASP( 6 A -30 )
GLY( 6 A -29 )
GLU( 6 A -28 )
LYS( 6 A -27 )
LYS( 6 A -26 )
PRO( 6 A -25 )
ILE( 6 A -24 )
GLY( 6 A -23 )
TRP( 6 A -22 )
ASP( 6 A -21 )
THR( 6 A -20 )
ASP( 6 A -19 )
ILE( 6 A -18 )
SER( 6 A -17 )
TRP( 6 A -16 )
LEU( 6 A -15 )
THR( 6 A -14 )
GLY( 6 A -13 )
GLU( 6 A -12 )
GLU( 6 A -11 )
LEU( 6 A -10 )
HIS( 6 A -9 )
VAL( 6 A -8 )
GLU( 6 A -7 )
VAL( 6 A -6 )
LEU( 6 A -5 )
GLU( 6 A -4 )
ASN( 6 A -3 )
VAL( 6 A -2 )
PRO( 6 A -1 )
LEU( 6 A 0 )
HIS( 7 A -85 )
MET( 7 A -84 )
PRO( 7 A -83 )
LYS( 7 A -82 )
SER( 7 A -81 )
PRO( 7 A -80 )
GLN( 7 A -79 )
LYS( 7 A -78 )
PRO( 7 A -77 )
ILE( 7 A -76 )
VAL( 7 A -75 )
ARG( 7 A -74 )
VAL( 7 A -73 )
PHE( 7 A -72 )
LEU( 7 A -71 )
PRO( 7 A -70 )
ASN( 7 A -69 )
LYS( 7 A -68 )
GLN( 7 A -67 )
ARG( 7 A -66 )
THR( 7 A -65 )
VAL( 7 A -64 )
VAL( 7 A -63 )
PRO( 7 A -62 )
ALA( 7 A -61 )
ARG( 7 A -60 )
CYS( 7 A -59 )
GLY( 7 A -58 )
VAL( 7 A -57 )
THR( 7 A -56 )
VAL( 7 A -55 )
ARG( 7 A -54 )
ASP( 7 A -53 )
SER( 7 A -52 )
LEU( 7 A -51 )
LYS( 7 A -50 )
LYS( 7 A -49 )
ALA( 7 A -48 )
LEU( 7 A -47 )
MET( 7 A -46 )
MET( 7 A -45 )
ARG( 7 A -44 )
GLY( 7 A -43 )
LEU( 7 A -42 )
ILE( 7 A -41 )
PRO( 7 A -40 )
GLU( 7 A -39 )
CYS( 7 A -38 )
CYS( 7 A -37 )
ALA( 7 A -36 )
VAL( 7 A -35 )
TYR( 7 A -34 )
ARG( 7 A -33 )
ILE( 7 A -32 )
GLN( 7 A -31 )
ASP( 7 A -30 )
GLY( 7 A -29 )
GLU( 7 A -28 )
LYS( 7 A -27 )
LYS( 7 A -26 )
PRO( 7 A -25 )
ILE( 7 A -24 )
GLY( 7 A -23 )
TRP( 7 A -22 )
ASP( 7 A -21 )
THR( 7 A -20 )
ASP( 7 A -19 )
ILE( 7 A -18 )
SER( 7 A -17 )
TRP( 7 A -16 )
LEU( 7 A -15 )
THR( 7 A -14 )
GLY( 7 A -13 )
GLU( 7 A -12 )
GLU( 7 A -11 )
LEU( 7 A -10 )
HIS( 7 A -9 )
VAL( 7 A -8 )
GLU( 7 A -7 )
VAL( 7 A -6 )
LEU( 7 A -5 )
GLU( 7 A -4 )
ASN( 7 A -3 )
VAL( 7 A -2 )
PRO( 7 A -1 )
LEU( 7 A 0 )
HIS( 8 A -85 )
MET( 8 A -84 )
PRO( 8 A -83 )
LYS( 8 A -82 )
SER( 8 A -81 )
PRO( 8 A -80 )
GLN( 8 A -79 )
LYS( 8 A -78 )
PRO( 8 A -77 )
ILE( 8 A -76 )
VAL( 8 A -75 )
ARG( 8 A -74 )
VAL( 8 A -73 )
PHE( 8 A -72 )
LEU( 8 A -71 )
PRO( 8 A -70 )
ASN( 8 A -69 )
LYS( 8 A -68 )
GLN( 8 A -67 )
ARG( 8 A -66 )
THR( 8 A -65 )
VAL( 8 A -64 )
VAL( 8 A -63 )
PRO( 8 A -62 )
ALA( 8 A -61 )
ARG( 8 A -60 )
CYS( 8 A -59 )
GLY( 8 A -58 )
VAL( 8 A -57 )
THR( 8 A -56 )
VAL( 8 A -55 )
ARG( 8 A -54 )
ASP( 8 A -53 )
SER( 8 A -52 )
LEU( 8 A -51 )
LYS( 8 A -50 )
LYS( 8 A -49 )
ALA( 8 A -48 )
LEU( 8 A -47 )
MET( 8 A -46 )
MET( 8 A -45 )
ARG( 8 A -44 )
GLY( 8 A -43 )
LEU( 8 A -42 )
ILE( 8 A -41 )
PRO( 8 A -40 )
GLU( 8 A -39 )
CYS( 8 A -38 )
CYS( 8 A -37 )
ALA( 8 A -36 )
VAL( 8 A -35 )
TYR( 8 A -34 )
ARG( 8 A -33 )
ILE( 8 A -32 )
GLN( 8 A -31 )
ASP( 8 A -30 )
GLY( 8 A -29 )
GLU( 8 A -28 )
LYS( 8 A -27 )
LYS( 8 A -26 )
PRO( 8 A -25 )
ILE( 8 A -24 )
GLY( 8 A -23 )
TRP( 8 A -22 )
ASP( 8 A -21 )
THR( 8 A -20 )
ASP( 8 A -19 )
ILE( 8 A -18 )
SER( 8 A -17 )
TRP( 8 A -16 )
LEU( 8 A -15 )
THR( 8 A -14 )
GLY( 8 A -13 )
GLU( 8 A -12 )
GLU( 8 A -11 )
LEU( 8 A -10 )
HIS( 8 A -9 )
VAL( 8 A -8 )
GLU( 8 A -7 )
VAL( 8 A -6 )
LEU( 8 A -5 )
GLU( 8 A -4 )
ASN( 8 A -3 )
VAL( 8 A -2 )
PRO( 8 A -1 )
LEU( 8 A 0 )
HIS( 9 A -85 )
MET( 9 A -84 )
PRO( 9 A -83 )
LYS( 9 A -82 )
SER( 9 A -81 )
PRO( 9 A -80 )
GLN( 9 A -79 )
LYS( 9 A -78 )
PRO( 9 A -77 )
ILE( 9 A -76 )
VAL( 9 A -75 )
ARG( 9 A -74 )
VAL( 9 A -73 )
PHE( 9 A -72 )
LEU( 9 A -71 )
PRO( 9 A -70 )
ASN( 9 A -69 )
LYS( 9 A -68 )
GLN( 9 A -67 )
ARG( 9 A -66 )
THR( 9 A -65 )
VAL( 9 A -64 )
VAL( 9 A -63 )
PRO( 9 A -62 )
ALA( 9 A -61 )
ARG( 9 A -60 )
CYS( 9 A -59 )
GLY( 9 A -58 )
VAL( 9 A -57 )
THR( 9 A -56 )
VAL( 9 A -55 )
ARG( 9 A -54 )
ASP( 9 A -53 )
SER( 9 A -52 )
LEU( 9 A -51 )
LYS( 9 A -50 )
LYS( 9 A -49 )
ALA( 9 A -48 )
LEU( 9 A -47 )
MET( 9 A -46 )
MET( 9 A -45 )
ARG( 9 A -44 )
GLY( 9 A -43 )
LEU( 9 A -42 )
ILE( 9 A -41 )
PRO( 9 A -40 )
GLU( 9 A -39 )
CYS( 9 A -38 )
CYS( 9 A -37 )
ALA( 9 A -36 )
VAL( 9 A -35 )
TYR( 9 A -34 )
ARG( 9 A -33 )
ILE( 9 A -32 )
GLN( 9 A -31 )
ASP( 9 A -30 )
GLY( 9 A -29 )
GLU( 9 A -28 )
LYS( 9 A -27 )
LYS( 9 A -26 )
PRO( 9 A -25 )
ILE( 9 A -24 )
GLY( 9 A -23 )
TRP( 9 A -22 )
ASP( 9 A -21 )
THR( 9 A -20 )
ASP( 9 A -19 )
ILE( 9 A -18 )
SER( 9 A -17 )
TRP( 9 A -16 )
LEU( 9 A -15 )
THR( 9 A -14 )
GLY( 9 A -13 )
GLU( 9 A -12 )
GLU( 9 A -11 )
LEU( 9 A -10 )
HIS( 9 A -9 )
VAL( 9 A -8 )
GLU( 9 A -7 )
VAL( 9 A -6 )
LEU( 9 A -5 )
GLU( 9 A -4 )
ASN( 9 A -3 )
VAL( 9 A -2 )
PRO( 9 A -1 )
LEU( 9 A 0 )
HIS( 10 A -85 )
MET( 10 A -84 )
PRO( 10 A -83 )
LYS( 10 A -82 )
SER( 10 A -81 )
PRO( 10 A -80 )
GLN( 10 A -79 )
LYS( 10 A -78 )
PRO( 10 A -77 )
ILE( 10 A -76 )
VAL( 10 A -75 )
ARG( 10 A -74 )
VAL( 10 A -73 )
PHE( 10 A -72 )
LEU( 10 A -71 )
PRO( 10 A -70 )
ASN( 10 A -69 )
LYS( 10 A -68 )
GLN( 10 A -67 )
ARG( 10 A -66 )
THR( 10 A -65 )
VAL( 10 A -64 )
VAL( 10 A -63 )
PRO( 10 A -62 )
ALA( 10 A -61 )
ARG( 10 A -60 )
CYS( 10 A -59 )
GLY( 10 A -58 )
VAL( 10 A -57 )
THR( 10 A -56 )
VAL( 10 A -55 )
ARG( 10 A -54 )
ASP( 10 A -53 )
SER( 10 A -52 )
LEU( 10 A -51 )
LYS( 10 A -50 )
LYS( 10 A -49 )
ALA( 10 A -48 )
LEU( 10 A -47 )
MET( 10 A -46 )
MET( 10 A -45 )
ARG( 10 A -44 )
GLY( 10 A -43 )
LEU( 10 A -42 )
ILE( 10 A -41 )
PRO( 10 A -40 )
GLU( 10 A -39 )
CYS( 10 A -38 )
CYS( 10 A -37 )
ALA( 10 A -36 )
VAL( 10 A -35 )
TYR( 10 A -34 )
ARG( 10 A -33 )
ILE( 10 A -32 )
GLN( 10 A -31 )
ASP( 10 A -30 )
GLY( 10 A -29 )
GLU( 10 A -28 )
LYS( 10 A -27 )
LYS( 10 A -26 )
PRO( 10 A -25 )
ILE( 10 A -24 )
GLY( 10 A -23 )
TRP( 10 A -22 )
ASP( 10 A -21 )
THR( 10 A -20 )
ASP( 10 A -19 )
ILE( 10 A -18 )
SER( 10 A -17 )
TRP( 10 A -16 )
LEU( 10 A -15 )
THR( 10 A -14 )
GLY( 10 A -13 )
GLU( 10 A -12 )
GLU( 10 A -11 )
LEU( 10 A -10 )
HIS( 10 A -9 )
VAL( 10 A -8 )
GLU( 10 A -7 )
VAL( 10 A -6 )
LEU( 10 A -5 )
GLU( 10 A -4 )
ASN( 10 A -3 )
VAL( 10 A -2 )
PRO( 10 A -1 )
LEU( 10 A 0 )
HIS( 11 A -85 )
MET( 11 A -84 )
PRO( 11 A -83 )
LYS( 11 A -82 )
SER( 11 A -81 )
PRO( 11 A -80 )
GLN( 11 A -79 )
LYS( 11 A -78 )
PRO( 11 A -77 )
ILE( 11 A -76 )
VAL( 11 A -75 )
ARG( 11 A -74 )
VAL( 11 A -73 )
PHE( 11 A -72 )
LEU( 11 A -71 )
PRO( 11 A -70 )
ASN( 11 A -69 )
LYS( 11 A -68 )
GLN( 11 A -67 )
ARG( 11 A -66 )
THR( 11 A -65 )
VAL( 11 A -64 )
VAL( 11 A -63 )
PRO( 11 A -62 )
ALA( 11 A -61 )
ARG( 11 A -60 )
CYS( 11 A -59 )
GLY( 11 A -58 )
VAL( 11 A -57 )
THR( 11 A -56 )
VAL( 11 A -55 )
ARG( 11 A -54 )
ASP( 11 A -53 )
SER( 11 A -52 )
LEU( 11 A -51 )
LYS( 11 A -50 )
LYS( 11 A -49 )
ALA( 11 A -48 )
LEU( 11 A -47 )
MET( 11 A -46 )
MET( 11 A -45 )
ARG( 11 A -44 )
GLY( 11 A -43 )
LEU( 11 A -42 )
ILE( 11 A -41 )
PRO( 11 A -40 )
GLU( 11 A -39 )
CYS( 11 A -38 )
CYS( 11 A -37 )
ALA( 11 A -36 )
VAL( 11 A -35 )
TYR( 11 A -34 )
ARG( 11 A -33 )
ILE( 11 A -32 )
GLN( 11 A -31 )
ASP( 11 A -30 )
GLY( 11 A -29 )
GLU( 11 A -28 )
LYS( 11 A -27 )
LYS( 11 A -26 )
PRO( 11 A -25 )
ILE( 11 A -24 )
GLY( 11 A -23 )
TRP( 11 A -22 )
ASP( 11 A -21 )
THR( 11 A -20 )
ASP( 11 A -19 )
ILE( 11 A -18 )
SER( 11 A -17 )
TRP( 11 A -16 )
LEU( 11 A -15 )
THR( 11 A -14 )
GLY( 11 A -13 )
GLU( 11 A -12 )
GLU( 11 A -11 )
LEU( 11 A -10 )
HIS( 11 A -9 )
VAL( 11 A -8 )
GLU( 11 A -7 )
VAL( 11 A -6 )
LEU( 11 A -5 )
GLU( 11 A -4 )
ASN( 11 A -3 )
VAL( 11 A -2 )
PRO( 11 A -1 )
LEU( 11 A 0 )
HIS( 12 A -85 )
MET( 12 A -84 )
PRO( 12 A -83 )
LYS( 12 A -82 )
SER( 12 A -81 )
PRO( 12 A -80 )
GLN( 12 A -79 )
LYS( 12 A -78 )
PRO( 12 A -77 )
ILE( 12 A -76 )
VAL( 12 A -75 )
ARG( 12 A -74 )
VAL( 12 A -73 )
PHE( 12 A -72 )
LEU( 12 A -71 )
PRO( 12 A -70 )
ASN( 12 A -69 )
LYS( 12 A -68 )
GLN( 12 A -67 )
ARG( 12 A -66 )
THR( 12 A -65 )
VAL( 12 A -64 )
VAL( 12 A -63 )
PRO( 12 A -62 )
ALA( 12 A -61 )
ARG( 12 A -60 )
CYS( 12 A -59 )
GLY( 12 A -58 )
VAL( 12 A -57 )
THR( 12 A -56 )
VAL( 12 A -55 )
ARG( 12 A -54 )
ASP( 12 A -53 )
SER( 12 A -52 )
LEU( 12 A -51 )
LYS( 12 A -50 )
LYS( 12 A -49 )
ALA( 12 A -48 )
LEU( 12 A -47 )
MET( 12 A -46 )
MET( 12 A -45 )
ARG( 12 A -44 )
GLY( 12 A -43 )
LEU( 12 A -42 )
ILE( 12 A -41 )
PRO( 12 A -40 )
GLU( 12 A -39 )
CYS( 12 A -38 )
CYS( 12 A -37 )
ALA( 12 A -36 )
VAL( 12 A -35 )
TYR( 12 A -34 )
ARG( 12 A -33 )
ILE( 12 A -32 )
GLN( 12 A -31 )
ASP( 12 A -30 )
GLY( 12 A -29 )
GLU( 12 A -28 )
LYS( 12 A -27 )
LYS( 12 A -26 )
PRO( 12 A -25 )
ILE( 12 A -24 )
GLY( 12 A -23 )
TRP( 12 A -22 )
ASP( 12 A -21 )
THR( 12 A -20 )
ASP( 12 A -19 )
ILE( 12 A -18 )
SER( 12 A -17 )
TRP( 12 A -16 )
LEU( 12 A -15 )
THR( 12 A -14 )
GLY( 12 A -13 )
GLU( 12 A -12 )
GLU( 12 A -11 )
LEU( 12 A -10 )
HIS( 12 A -9 )
VAL( 12 A -8 )
GLU( 12 A -7 )
VAL( 12 A -6 )
LEU( 12 A -5 )
GLU( 12 A -4 )
ASN( 12 A -3 )
VAL( 12 A -2 )
PRO( 12 A -1 )
LEU( 12 A 0 )
HIS( 13 A -85 )
MET( 13 A -84 )
PRO( 13 A -83 )
LYS( 13 A -82 )
SER( 13 A -81 )
PRO( 13 A -80 )
GLN( 13 A -79 )
LYS( 13 A -78 )
PRO( 13 A -77 )
ILE( 13 A -76 )
VAL( 13 A -75 )
ARG( 13 A -74 )
VAL( 13 A -73 )
PHE( 13 A -72 )
LEU( 13 A -71 )
PRO( 13 A -70 )
ASN( 13 A -69 )
LYS( 13 A -68 )
GLN( 13 A -67 )
ARG( 13 A -66 )
THR( 13 A -65 )
VAL( 13 A -64 )
VAL( 13 A -63 )
PRO( 13 A -62 )
ALA( 13 A -61 )
ARG( 13 A -60 )
CYS( 13 A -59 )
GLY( 13 A -58 )
VAL( 13 A -57 )
THR( 13 A -56 )
VAL( 13 A -55 )
ARG( 13 A -54 )
ASP( 13 A -53 )
SER( 13 A -52 )
LEU( 13 A -51 )
LYS( 13 A -50 )
LYS( 13 A -49 )
ALA( 13 A -48 )
LEU( 13 A -47 )
MET( 13 A -46 )
MET( 13 A -45 )
ARG( 13 A -44 )
GLY( 13 A -43 )
LEU( 13 A -42 )
ILE( 13 A -41 )
PRO( 13 A -40 )
GLU( 13 A -39 )
CYS( 13 A -38 )
CYS( 13 A -37 )
ALA( 13 A -36 )
VAL( 13 A -35 )
TYR( 13 A -34 )
ARG( 13 A -33 )
ILE( 13 A -32 )
GLN( 13 A -31 )
ASP( 13 A -30 )
GLY( 13 A -29 )
GLU( 13 A -28 )
LYS( 13 A -27 )
LYS( 13 A -26 )
PRO( 13 A -25 )
ILE( 13 A -24 )
GLY( 13 A -23 )
TRP( 13 A -22 )
ASP( 13 A -21 )
THR( 13 A -20 )
ASP( 13 A -19 )
ILE( 13 A -18 )
SER( 13 A -17 )
TRP( 13 A -16 )
LEU( 13 A -15 )
THR( 13 A -14 )
GLY( 13 A -13 )
GLU( 13 A -12 )
GLU( 13 A -11 )
LEU( 13 A -10 )
HIS( 13 A -9 )
VAL( 13 A -8 )
GLU( 13 A -7 )
VAL( 13 A -6 )
LEU( 13 A -5 )
GLU( 13 A -4 )
ASN( 13 A -3 )
VAL( 13 A -2 )
PRO( 13 A -1 )
LEU( 13 A 0 )
HIS( 14 A -85 )
MET( 14 A -84 )
PRO( 14 A -83 )
LYS( 14 A -82 )
SER( 14 A -81 )
PRO( 14 A -80 )
GLN( 14 A -79 )
LYS( 14 A -78 )
PRO( 14 A -77 )
ILE( 14 A -76 )
VAL( 14 A -75 )
ARG( 14 A -74 )
VAL( 14 A -73 )
PHE( 14 A -72 )
LEU( 14 A -71 )
PRO( 14 A -70 )
ASN( 14 A -69 )
LYS( 14 A -68 )
GLN( 14 A -67 )
ARG( 14 A -66 )
THR( 14 A -65 )
VAL( 14 A -64 )
VAL( 14 A -63 )
PRO( 14 A -62 )
ALA( 14 A -61 )
ARG( 14 A -60 )
CYS( 14 A -59 )
GLY( 14 A -58 )
VAL( 14 A -57 )
THR( 14 A -56 )
VAL( 14 A -55 )
ARG( 14 A -54 )
ASP( 14 A -53 )
SER( 14 A -52 )
LEU( 14 A -51 )
LYS( 14 A -50 )
LYS( 14 A -49 )
ALA( 14 A -48 )
LEU( 14 A -47 )
MET( 14 A -46 )
MET( 14 A -45 )
ARG( 14 A -44 )
GLY( 14 A -43 )
LEU( 14 A -42 )
ILE( 14 A -41 )
PRO( 14 A -40 )
GLU( 14 A -39 )
CYS( 14 A -38 )
CYS( 14 A -37 )
ALA( 14 A -36 )
VAL( 14 A -35 )
TYR( 14 A -34 )
ARG( 14 A -33 )
ILE( 14 A -32 )
GLN( 14 A -31 )
ASP( 14 A -30 )
GLY( 14 A -29 )
GLU( 14 A -28 )
LYS( 14 A -27 )
LYS( 14 A -26 )
PRO( 14 A -25 )
ILE( 14 A -24 )
GLY( 14 A -23 )
TRP( 14 A -22 )
ASP( 14 A -21 )
THR( 14 A -20 )
ASP( 14 A -19 )
ILE( 14 A -18 )
SER( 14 A -17 )
TRP( 14 A -16 )
LEU( 14 A -15 )
THR( 14 A -14 )
GLY( 14 A -13 )
GLU( 14 A -12 )
GLU( 14 A -11 )
LEU( 14 A -10 )
HIS( 14 A -9 )
VAL( 14 A -8 )
GLU( 14 A -7 )
VAL( 14 A -6 )
LEU( 14 A -5 )
GLU( 14 A -4 )
ASN( 14 A -3 )
VAL( 14 A -2 )
PRO( 14 A -1 )
LEU( 14 A 0 )
HIS( 15 A -85 )
MET( 15 A -84 )
PRO( 15 A -83 )
LYS( 15 A -82 )
SER( 15 A -81 )
PRO( 15 A -80 )
GLN( 15 A -79 )
LYS( 15 A -78 )
PRO( 15 A -77 )
ILE( 15 A -76 )
VAL( 15 A -75 )
ARG( 15 A -74 )
VAL( 15 A -73 )
PHE( 15 A -72 )
LEU( 15 A -71 )
PRO( 15 A -70 )
ASN( 15 A -69 )
LYS( 15 A -68 )
GLN( 15 A -67 )
ARG( 15 A -66 )
THR( 15 A -65 )
VAL( 15 A -64 )
VAL( 15 A -63 )
PRO( 15 A -62 )
ALA( 15 A -61 )
ARG( 15 A -60 )
CYS( 15 A -59 )
GLY( 15 A -58 )
VAL( 15 A -57 )
THR( 15 A -56 )
VAL( 15 A -55 )
ARG( 15 A -54 )
ASP( 15 A -53 )
SER( 15 A -52 )
LEU( 15 A -51 )
LYS( 15 A -50 )
LYS( 15 A -49 )
ALA( 15 A -48 )
LEU( 15 A -47 )
MET( 15 A -46 )
MET( 15 A -45 )
ARG( 15 A -44 )
GLY( 15 A -43 )
LEU( 15 A -42 )
ILE( 15 A -41 )
PRO( 15 A -40 )
GLU( 15 A -39 )
CYS( 15 A -38 )
CYS( 15 A -37 )
ALA( 15 A -36 )
VAL( 15 A -35 )
TYR( 15 A -34 )
ARG( 15 A -33 )
ILE( 15 A -32 )
GLN( 15 A -31 )
ASP( 15 A -30 )
GLY( 15 A -29 )
GLU( 15 A -28 )
LYS( 15 A -27 )
LYS( 15 A -26 )
PRO( 15 A -25 )
ILE( 15 A -24 )
GLY( 15 A -23 )
TRP( 15 A -22 )
ASP( 15 A -21 )
THR( 15 A -20 )
ASP( 15 A -19 )
ILE( 15 A -18 )
SER( 15 A -17 )
TRP( 15 A -16 )
LEU( 15 A -15 )
THR( 15 A -14 )
GLY( 15 A -13 )
GLU( 15 A -12 )
GLU( 15 A -11 )
LEU( 15 A -10 )
HIS( 15 A -9 )
VAL( 15 A -8 )
GLU( 15 A -7 )
VAL( 15 A -6 )
LEU( 15 A -5 )
GLU( 15 A -4 )
ASN( 15 A -3 )
VAL( 15 A -2 )
PRO( 15 A -1 )
LEU( 15 A 0 )
HIS( 16 A -85 )
MET( 16 A -84 )
PRO( 16 A -83 )
LYS( 16 A -82 )
SER( 16 A -81 )
PRO( 16 A -80 )
GLN( 16 A -79 )
LYS( 16 A -78 )
PRO( 16 A -77 )
ILE( 16 A -76 )
VAL( 16 A -75 )
ARG( 16 A -74 )
VAL( 16 A -73 )
PHE( 16 A -72 )
LEU( 16 A -71 )
PRO( 16 A -70 )
ASN( 16 A -69 )
LYS( 16 A -68 )
GLN( 16 A -67 )
ARG( 16 A -66 )
THR( 16 A -65 )
VAL( 16 A -64 )
VAL( 16 A -63 )
PRO( 16 A -62 )
ALA( 16 A -61 )
ARG( 16 A -60 )
CYS( 16 A -59 )
GLY( 16 A -58 )
VAL( 16 A -57 )
THR( 16 A -56 )
VAL( 16 A -55 )
ARG( 16 A -54 )
ASP( 16 A -53 )
SER( 16 A -52 )
LEU( 16 A -51 )
LYS( 16 A -50 )
LYS( 16 A -49 )
ALA( 16 A -48 )
LEU( 16 A -47 )
MET( 16 A -46 )
MET( 16 A -45 )
ARG( 16 A -44 )
GLY( 16 A -43 )
LEU( 16 A -42 )
ILE( 16 A -41 )
PRO( 16 A -40 )
GLU( 16 A -39 )
CYS( 16 A -38 )
CYS( 16 A -37 )
ALA( 16 A -36 )
VAL( 16 A -35 )
TYR( 16 A -34 )
ARG( 16 A -33 )
ILE( 16 A -32 )
GLN( 16 A -31 )
ASP( 16 A -30 )
GLY( 16 A -29 )
GLU( 16 A -28 )
LYS( 16 A -27 )
LYS( 16 A -26 )
PRO( 16 A -25 )
ILE( 16 A -24 )
GLY( 16 A -23 )
TRP( 16 A -22 )
ASP( 16 A -21 )
THR( 16 A -20 )
ASP( 16 A -19 )
ILE( 16 A -18 )
SER( 16 A -17 )
TRP( 16 A -16 )
LEU( 16 A -15 )
THR( 16 A -14 )
GLY( 16 A -13 )
GLU( 16 A -12 )
GLU( 16 A -11 )
LEU( 16 A -10 )
HIS( 16 A -9 )
VAL( 16 A -8 )
GLU( 16 A -7 )
VAL( 16 A -6 )
LEU( 16 A -5 )
GLU( 16 A -4 )
ASN( 16 A -3 )
VAL( 16 A -2 )
PRO( 16 A -1 )
LEU( 16 A 0 )
HIS( 17 A -85 )
MET( 17 A -84 )
PRO( 17 A -83 )
LYS( 17 A -82 )
SER( 17 A -81 )
PRO( 17 A -80 )
GLN( 17 A -79 )
LYS( 17 A -78 )
PRO( 17 A -77 )
ILE( 17 A -76 )
VAL( 17 A -75 )
ARG( 17 A -74 )
VAL( 17 A -73 )
PHE( 17 A -72 )
LEU( 17 A -71 )
PRO( 17 A -70 )
ASN( 17 A -69 )
LYS( 17 A -68 )
GLN( 17 A -67 )
ARG( 17 A -66 )
THR( 17 A -65 )
VAL( 17 A -64 )
VAL( 17 A -63 )
PRO( 17 A -62 )
ALA( 17 A -61 )
ARG( 17 A -60 )
CYS( 17 A -59 )
GLY( 17 A -58 )
VAL( 17 A -57 )
THR( 17 A -56 )
VAL( 17 A -55 )
ARG( 17 A -54 )
ASP( 17 A -53 )
SER( 17 A -52 )
LEU( 17 A -51 )
LYS( 17 A -50 )
LYS( 17 A -49 )
ALA( 17 A -48 )
LEU( 17 A -47 )
MET( 17 A -46 )
MET( 17 A -45 )
ARG( 17 A -44 )
GLY( 17 A -43 )
LEU( 17 A -42 )
ILE( 17 A -41 )
PRO( 17 A -40 )
GLU( 17 A -39 )
CYS( 17 A -38 )
CYS( 17 A -37 )
ALA( 17 A -36 )
VAL( 17 A -35 )
TYR( 17 A -34 )
ARG( 17 A -33 )
ILE( 17 A -32 )
GLN( 17 A -31 )
ASP( 17 A -30 )
GLY( 17 A -29 )
GLU( 17 A -28 )
LYS( 17 A -27 )
LYS( 17 A -26 )
PRO( 17 A -25 )
ILE( 17 A -24 )
GLY( 17 A -23 )
TRP( 17 A -22 )
ASP( 17 A -21 )
THR( 17 A -20 )
ASP( 17 A -19 )
ILE( 17 A -18 )
SER( 17 A -17 )
TRP( 17 A -16 )
LEU( 17 A -15 )
THR( 17 A -14 )
GLY( 17 A -13 )
GLU( 17 A -12 )
GLU( 17 A -11 )
LEU( 17 A -10 )
HIS( 17 A -9 )
VAL( 17 A -8 )
GLU( 17 A -7 )
VAL( 17 A -6 )
LEU( 17 A -5 )
GLU( 17 A -4 )
ASN( 17 A -3 )
VAL( 17 A -2 )
PRO( 17 A -1 )
LEU( 17 A 0 )
HIS( 18 A -85 )
MET( 18 A -84 )
PRO( 18 A -83 )
LYS( 18 A -82 )
SER( 18 A -81 )
PRO( 18 A -80 )
GLN( 18 A -79 )
LYS( 18 A -78 )
PRO( 18 A -77 )
ILE( 18 A -76 )
VAL( 18 A -75 )
ARG( 18 A -74 )
VAL( 18 A -73 )
PHE( 18 A -72 )
LEU( 18 A -71 )
PRO( 18 A -70 )
ASN( 18 A -69 )
LYS( 18 A -68 )
GLN( 18 A -67 )
ARG( 18 A -66 )
THR( 18 A -65 )
VAL( 18 A -64 )
VAL( 18 A -63 )
PRO( 18 A -62 )
ALA( 18 A -61 )
ARG( 18 A -60 )
CYS( 18 A -59 )
GLY( 18 A -58 )
VAL( 18 A -57 )
THR( 18 A -56 )
VAL( 18 A -55 )
ARG( 18 A -54 )
ASP( 18 A -53 )
SER( 18 A -52 )
LEU( 18 A -51 )
LYS( 18 A -50 )
LYS( 18 A -49 )
ALA( 18 A -48 )
LEU( 18 A -47 )
MET( 18 A -46 )
MET( 18 A -45 )
ARG( 18 A -44 )
GLY( 18 A -43 )
LEU( 18 A -42 )
ILE( 18 A -41 )
PRO( 18 A -40 )
GLU( 18 A -39 )
CYS( 18 A -38 )
CYS( 18 A -37 )
ALA( 18 A -36 )
VAL( 18 A -35 )
TYR( 18 A -34 )
ARG( 18 A -33 )
ILE( 18 A -32 )
GLN( 18 A -31 )
ASP( 18 A -30 )
GLY( 18 A -29 )
GLU( 18 A -28 )
LYS( 18 A -27 )
LYS( 18 A -26 )
PRO( 18 A -25 )
ILE( 18 A -24 )
GLY( 18 A -23 )
TRP( 18 A -22 )
ASP( 18 A -21 )
THR( 18 A -20 )
ASP( 18 A -19 )
ILE( 18 A -18 )
SER( 18 A -17 )
TRP( 18 A -16 )
LEU( 18 A -15 )
THR( 18 A -14 )
GLY( 18 A -13 )
GLU( 18 A -12 )
GLU( 18 A -11 )
LEU( 18 A -10 )
HIS( 18 A -9 )
VAL( 18 A -8 )
GLU( 18 A -7 )
VAL( 18 A -6 )
LEU( 18 A -5 )
GLU( 18 A -4 )
ASN( 18 A -3 )
VAL( 18 A -2 )
PRO( 18 A -1 )
LEU( 18 A 0 )
HIS( 19 A -85 )
MET( 19 A -84 )
PRO( 19 A -83 )
LYS( 19 A -82 )
SER( 19 A -81 )
PRO( 19 A -80 )
GLN( 19 A -79 )
LYS( 19 A -78 )
PRO( 19 A -77 )
ILE( 19 A -76 )
VAL( 19 A -75 )
ARG( 19 A -74 )
VAL( 19 A -73 )
PHE( 19 A -72 )
LEU( 19 A -71 )
PRO( 19 A -70 )
ASN( 19 A -69 )
LYS( 19 A -68 )
GLN( 19 A -67 )
ARG( 19 A -66 )
THR( 19 A -65 )
VAL( 19 A -64 )
VAL( 19 A -63 )
PRO( 19 A -62 )
ALA( 19 A -61 )
ARG( 19 A -60 )
CYS( 19 A -59 )
GLY( 19 A -58 )
VAL( 19 A -57 )
THR( 19 A -56 )
VAL( 19 A -55 )
ARG( 19 A -54 )
ASP( 19 A -53 )
SER( 19 A -52 )
LEU( 19 A -51 )
LYS( 19 A -50 )
LYS( 19 A -49 )
ALA( 19 A -48 )
LEU( 19 A -47 )
MET( 19 A -46 )
MET( 19 A -45 )
ARG( 19 A -44 )
GLY( 19 A -43 )
LEU( 19 A -42 )
ILE( 19 A -41 )
PRO( 19 A -40 )
GLU( 19 A -39 )
CYS( 19 A -38 )
CYS( 19 A -37 )
ALA( 19 A -36 )
VAL( 19 A -35 )
TYR( 19 A -34 )
ARG( 19 A -33 )
ILE( 19 A -32 )
GLN( 19 A -31 )
ASP( 19 A -30 )
GLY( 19 A -29 )
GLU( 19 A -28 )
LYS( 19 A -27 )
LYS( 19 A -26 )
PRO( 19 A -25 )
ILE( 19 A -24 )
GLY( 19 A -23 )
TRP( 19 A -22 )
ASP( 19 A -21 )
THR( 19 A -20 )
ASP( 19 A -19 )
ILE( 19 A -18 )
SER( 19 A -17 )
TRP( 19 A -16 )
LEU( 19 A -15 )
THR( 19 A -14 )
GLY( 19 A -13 )
GLU( 19 A -12 )
GLU( 19 A -11 )
LEU( 19 A -10 )
HIS( 19 A -9 )
VAL( 19 A -8 )
GLU( 19 A -7 )
VAL( 19 A -6 )
LEU( 19 A -5 )
GLU( 19 A -4 )
ASN( 19 A -3 )
VAL( 19 A -2 )
PRO( 19 A -1 )
LEU( 19 A 0 )
HIS( 20 A -85 )
MET( 20 A -84 )
PRO( 20 A -83 )
LYS( 20 A -82 )
SER( 20 A -81 )
PRO( 20 A -80 )
GLN( 20 A -79 )
LYS( 20 A -78 )
PRO( 20 A -77 )
ILE( 20 A -76 )
VAL( 20 A -75 )
ARG( 20 A -74 )
VAL( 20 A -73 )
PHE( 20 A -72 )
LEU( 20 A -71 )
PRO( 20 A -70 )
ASN( 20 A -69 )
LYS( 20 A -68 )
GLN( 20 A -67 )
ARG( 20 A -66 )
THR( 20 A -65 )
VAL( 20 A -64 )
VAL( 20 A -63 )
PRO( 20 A -62 )
ALA( 20 A -61 )
ARG( 20 A -60 )
CYS( 20 A -59 )
GLY( 20 A -58 )
VAL( 20 A -57 )
THR( 20 A -56 )
VAL( 20 A -55 )
ARG( 20 A -54 )
ASP( 20 A -53 )
SER( 20 A -52 )
LEU( 20 A -51 )
LYS( 20 A -50 )
LYS( 20 A -49 )
ALA( 20 A -48 )
LEU( 20 A -47 )
MET( 20 A -46 )
MET( 20 A -45 )
ARG( 20 A -44 )
GLY( 20 A -43 )
LEU( 20 A -42 )
ILE( 20 A -41 )
PRO( 20 A -40 )
GLU( 20 A -39 )
CYS( 20 A -38 )
CYS( 20 A -37 )
ALA( 20 A -36 )
VAL( 20 A -35 )
TYR( 20 A -34 )
ARG( 20 A -33 )
ILE( 20 A -32 )
GLN( 20 A -31 )
ASP( 20 A -30 )
GLY( 20 A -29 )
GLU( 20 A -28 )
LYS( 20 A -27 )
LYS( 20 A -26 )
PRO( 20 A -25 )
ILE( 20 A -24 )
GLY( 20 A -23 )
TRP( 20 A -22 )
ASP( 20 A -21 )
THR( 20 A -20 )
ASP( 20 A -19 )
ILE( 20 A -18 )
SER( 20 A -17 )
TRP( 20 A -16 )
LEU( 20 A -15 )
THR( 20 A -14 )
GLY( 20 A -13 )
GLU( 20 A -12 )
GLU( 20 A -11 )
LEU( 20 A -10 )
HIS( 20 A -9 )
VAL( 20 A -8 )
GLU( 20 A -7 )
VAL( 20 A -6 )
LEU( 20 A -5 )
GLU( 20 A -4 )
ASN( 20 A -3 )
VAL( 20 A -2 )
PRO( 20 A -1 )
LEU( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: HIS MET PRO LYS SER PRO GLN LYS PRO ILE VAL ARG VAL PHE LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: PRO ASN LYS GLN ARG THR VAL VAL PRO ALA ARG CYS GLY VAL THR
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: VAL ARG ASP SER LEU LYS LYS ALA LEU MET MET ARG GLY LEU ILE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: PRO GLU CYS CYS ALA VAL TYR ARG ILE GLN ASP GLY GLU LYS LYS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: PRO ILE GLY TRP ASP THR ASP ILE SER TRP LEU THR GLY GLU GLU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: LEU HIS VAL GLU VAL LEU GLU ASN VAL PRO LEU HIS MET PRO LYS
COORDS: ... ... ... ... ... ... ... ... ... ... ... HIS MET PRO LYS
1 4
91 105
SEQRES: SER PRO GLN LYS PRO ILE VAL ARG VAL PHE LEU PRO ASN LYS GLN
COORDS: SER PRO GLN LYS PRO ILE VAL ARG VAL PHE LEU PRO ASN LYS GLN
5 19
106 120
SEQRES: ARG THR VAL VAL PRO ALA ARG CYS GLY VAL THR VAL ARG ASP SER
COORDS: ARG THR VAL VAL PRO ALA ARG CYS GLY VAL THR VAL ARG ASP SER
20 34
121 135
SEQRES: LEU LYS LYS ALA LEU MET MET ARG GLY LEU ILE PRO GLU CYS CYS
COORDS: LEU LYS LYS ALA LEU MET MET ARG GLY LEU ILE PRO GLU CYS CYS
35 49
136 150
SEQRES: ALA VAL TYR ARG ILE GLN ASP GLY GLU LYS LYS PRO ILE GLY TRP
COORDS: ALA VAL TYR ARG ILE GLN ASP GLY GLU LYS LYS PRO ILE GLY TRP
50 64
151 165
SEQRES: ASP THR ASP ILE SER TRP LEU THR GLY GLU GLU LEU HIS VAL GLU
COORDS: ASP THR ASP ILE SER TRP LEU THR GLY GLU GLU LEU HIS VAL GLU
65 79
166 172
SEQRES: VAL LEU GLU ASN VAL PRO LEU
COORDS: VAL LEU GLU ASN VAL PRO LEU
80 86
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 1) HE2
ASP( 1 A 33) HD2
GLU( 1 A 47) HE2
ASP( 1 A 56) HD2
GLU( 1 A 58) HE2
ASP( 1 A 65) HD2
ASP( 1 A 67) HD2
GLU( 1 A 74) HE2
GLU( 1 A 75) HE2
HIS( 1 A 77) HE2
GLU( 1 A 79) HE2
GLU( 1 A 82) HE2
HIS( 2 A 1) HE2
ASP( 2 A 33) HD2
GLU( 2 A 47) HE2
ASP( 2 A 56) HD2
GLU( 2 A 58) HE2
ASP( 2 A 65) HD2
ASP( 2 A 67) HD2
GLU( 2 A 74) HE2
GLU( 2 A 75) HE2
HIS( 2 A 77) HE2
GLU( 2 A 79) HE2
GLU( 2 A 82) HE2
HIS( 3 A 1) HE2
ASP( 3 A 33) HD2
GLU( 3 A 47) HE2
ASP( 3 A 56) HD2
GLU( 3 A 58) HE2
ASP( 3 A 65) HD2
ASP( 3 A 67) HD2
GLU( 3 A 74) HE2
GLU( 3 A 75) HE2
HIS( 3 A 77) HE2
GLU( 3 A 79) HE2
GLU( 3 A 82) HE2
HIS( 4 A 1) HE2
ASP( 4 A 33) HD2
GLU( 4 A 47) HE2
ASP( 4 A 56) HD2
GLU( 4 A 58) HE2
ASP( 4 A 65) HD2
ASP( 4 A 67) HD2
GLU( 4 A 74) HE2
GLU( 4 A 75) HE2
HIS( 4 A 77) HE2
GLU( 4 A 79) HE2
GLU( 4 A 82) HE2
HIS( 5 A 1) HE2
ASP( 5 A 33) HD2
GLU( 5 A 47) HE2
ASP( 5 A 56) HD2
GLU( 5 A 58) HE2
ASP( 5 A 65) HD2
ASP( 5 A 67) HD2
GLU( 5 A 74) HE2
GLU( 5 A 75) HE2
HIS( 5 A 77) HE2
GLU( 5 A 79) HE2
GLU( 5 A 82) HE2
HIS( 6 A 1) HE2
ASP( 6 A 33) HD2
GLU( 6 A 47) HE2
ASP( 6 A 56) HD2
GLU( 6 A 58) HE2
ASP( 6 A 65) HD2
ASP( 6 A 67) HD2
GLU( 6 A 74) HE2
GLU( 6 A 75) HE2
HIS( 6 A 77) HD1
GLU( 6 A 79) HE2
GLU( 6 A 82) HE2
HIS( 7 A 1) HD1
ASP( 7 A 33) HD2
GLU( 7 A 47) HE2
ASP( 7 A 56) HD2
GLU( 7 A 58) HE2
ASP( 7 A 65) HD2
ASP( 7 A 67) HD2
GLU( 7 A 74) HE2
GLU( 7 A 75) HE2
HIS( 7 A 77) HE2
GLU( 7 A 79) HE2
GLU( 7 A 82) HE2
HIS( 8 A 1) HE2
ASP( 8 A 33) HD2
GLU( 8 A 47) HE2
ASP( 8 A 56) HD2
GLU( 8 A 58) HE2
ASP( 8 A 65) HD2
ASP( 8 A 67) HD2
GLU( 8 A 74) HE2
GLU( 8 A 75) HE2
HIS( 8 A 77) HE2
GLU( 8 A 79) HE2
GLU( 8 A 82) HE2
HIS( 9 A 1) HD1
ASP( 9 A 33) HD2
GLU( 9 A 47) HE2
ASP( 9 A 56) HD2
GLU( 9 A 58) HE2
ASP( 9 A 65) HD2
ASP( 9 A 67) HD2
GLU( 9 A 74) HE2
GLU( 9 A 75) HE2
HIS( 9 A 77) HE2
GLU( 9 A 79) HE2
GLU( 9 A 82) HE2
HIS( 10 A 1) HD1
ASP( 10 A 33) HD2
GLU( 10 A 47) HE2
ASP( 10 A 56) HD2
GLU( 10 A 58) HE2
ASP( 10 A 65) HD2
ASP( 10 A 67) HD2
GLU( 10 A 74) HE2
GLU( 10 A 75) HE2
HIS( 10 A 77) HE2
GLU( 10 A 79) HE2
GLU( 10 A 82) HE2
HIS( 11 A 1) HE2
ASP( 11 A 33) HD2
GLU( 11 A 47) HE2
ASP( 11 A 56) HD2
GLU( 11 A 58) HE2
ASP( 11 A 65) HD2
ASP( 11 A 67) HD2
GLU( 11 A 74) HE2
GLU( 11 A 75) HE2
HIS( 11 A 77) HE2
GLU( 11 A 79) HE2
GLU( 11 A 82) HE2
HIS( 12 A 1) HD1
ASP( 12 A 33) HD2
GLU( 12 A 47) HE2
ASP( 12 A 56) HD2
GLU( 12 A 58) HE2
ASP( 12 A 65) HD2
ASP( 12 A 67) HD2
GLU( 12 A 74) HE2
GLU( 12 A 75) HE2
HIS( 12 A 77) HE2
GLU( 12 A 79) HE2
GLU( 12 A 82) HE2
HIS( 13 A 1) HE2
ASP( 13 A 33) HD2
GLU( 13 A 47) HE2
ASP( 13 A 56) HD2
GLU( 13 A 58) HE2
ASP( 13 A 65) HD2
ASP( 13 A 67) HD2
GLU( 13 A 74) HE2
GLU( 13 A 75) HE2
HIS( 13 A 77) HE2
GLU( 13 A 79) HE2
GLU( 13 A 82) HE2
HIS( 14 A 1) HE2
ASP( 14 A 33) HD2
GLU( 14 A 47) HE2
ASP( 14 A 56) HD2
GLU( 14 A 58) HE2
ASP( 14 A 65) HD2
ASP( 14 A 67) HD2
GLU( 14 A 74) HE2
GLU( 14 A 75) HE2
HIS( 14 A 77) HE2
GLU( 14 A 79) HE2
GLU( 14 A 82) HE2
HIS( 15 A 1) HE2
ASP( 15 A 33) HD2
GLU( 15 A 47) HE2
ASP( 15 A 56) HD2
GLU( 15 A 58) HE2
ASP( 15 A 65) HD2
ASP( 15 A 67) HD2
GLU( 15 A 74) HE2
GLU( 15 A 75) HE2
HIS( 15 A 77) HD1
GLU( 15 A 79) HE2
GLU( 15 A 82) HE2
HIS( 16 A 1) HE2
ASP( 16 A 33) HD2
GLU( 16 A 47) HE2
ASP( 16 A 56) HD2
GLU( 16 A 58) HE2
ASP( 16 A 65) HD2
ASP( 16 A 67) HD2
GLU( 16 A 74) HE2
GLU( 16 A 75) HE2
HIS( 16 A 77) HE2
GLU( 16 A 79) HE2
GLU( 16 A 82) HE2
HIS( 17 A 1) HE2
ASP( 17 A 33) HD2
GLU( 17 A 47) HE2
ASP( 17 A 56) HD2
GLU( 17 A 58) HE2
ASP( 17 A 65) HD2
ASP( 17 A 67) HD2
GLU( 17 A 74) HE2
GLU( 17 A 75) HE2
HIS( 17 A 77) HE2
GLU( 17 A 79) HE2
GLU( 17 A 82) HE2
HIS( 18 A 1) HE2
ASP( 18 A 33) HD2
GLU( 18 A 47) HE2
ASP( 18 A 56) HD2
GLU( 18 A 58) HE2
ASP( 18 A 65) HD2
ASP( 18 A 67) HD2
GLU( 18 A 74) HE2
GLU( 18 A 75) HE2
HIS( 18 A 77) HD1
GLU( 18 A 79) HE2
GLU( 18 A 82) HE2
HIS( 19 A 1) HD1
ASP( 19 A 33) HD2
GLU( 19 A 47) HE2
ASP( 19 A 56) HD2
GLU( 19 A 58) HE2
ASP( 19 A 65) HD2
ASP( 19 A 67) HD2
GLU( 19 A 74) HE2
GLU( 19 A 75) HE2
HIS( 19 A 77) HE2
GLU( 19 A 79) HE2
GLU( 19 A 82) HE2
HIS( 20 A 1) HD1
ASP( 20 A 33) HD2
GLU( 20 A 47) HE2
ASP( 20 A 56) HD2
GLU( 20 A 58) HE2
ASP( 20 A 65) HD2
ASP( 20 A 67) HD2
GLU( 20 A 74) HE2
GLU( 20 A 75) HE2
HIS( 20 A 77) HD1
GLU( 20 A 79) HE2
GLU( 20 A 82) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
LEU( 1 A 86) O2
LEU( 2 A 86) O2
LEU( 3 A 86) O2
LEU( 4 A 86) O2
LEU( 5 A 86) O2
LEU( 6 A 86) O2
LEU( 7 A 86) O2
LEU( 8 A 86) O2
LEU( 9 A 86) O2
LEU( 10 A 86) O2
LEU( 11 A 86) O2
LEU( 12 A 86) O2
LEU( 13 A 86) O2
LEU( 14 A 86) O2
LEU( 15 A 86) O2
LEU( 16 A 86) O2
LEU( 17 A 86) O2
LEU( 18 A 86) O2
LEU( 19 A 86) O2
LEU( 20 A 86) O2
CHECK TERMINAL ATOMS
--------------------
Terminal atom(s) showed in middle of sequence will be deleted:
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
1H HIS 1 A
2H HIS 1 A
3H HIS 1 A
HR4694F_R3_em_bcr3.pdb: Missing KEYWDS records
HR4694F_R3_em_bcr3.pdb: Missing TITLE record