Detailed results of HR4694F_NMR_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
265-> ARG 20 HN - ARG 20 HD2 [ 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 0.15 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
340-> GLN 19 HA - GLN 19 HE22 [ 1.80 5.29] 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 0.22 0.00 0.00 0.00 0.00 - 1 [ 0.22 .. 0.22]
597-> ARG 32 HG3 - TRP 64 HN [ 1.80 6.05] 0.05 0.06 0.00 0.06 0.03 0.01 0.10 0.10 0.06 0.06 0.07 0.03 0.07 0.03 0.02 0.03 0.10 0.07 0.02 0.06 - 19 [ 0.01 .. 0.10]
702-> ARG 26 HD3 - CYS 27 HN [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.04 0.00 0.00 - 4 [ 0.02 .. 0.10]
964-> ILE 10 HD1* - VAL 22 HB [ 1.80 4.23] 0.10 0.03 0.04 0.05 0.08 0.11 0.09 0.02 0.07 0.02 0.03 0.00 0.04 0.08 0.03 0.10 0.06 0.09 0.10 0.01 - 19 [ 0.01 .. 0.11]
1183-> ASP 33 HA - LYS 36 HE3 [ 1.80 6.05] 0.00 0.11 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.01 - 4 [ 0.01 .. 0.11]
1290-> ARG 12 HD2 - GLU 75 HG2 [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
1394-> ARG 26 HB3 - 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 0.17 0.15 0.00 0.00 - 2 [ 0.15 .. 0.17]
1443-> TYR 52 HD* - GLU 79 HG2 [ 1.80 5.17] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 - 2 [ 0.02 .. 0.11]
1733-> GLN 55 HG* - ASP 56 HB* [ 1.80 4.69] 0.00 0.00 0.16 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 - 1 [ 0.16 .. 0.16]
-------------------------------------------
Number of Violations greater than 0.10 0 1 1 0 2 1 0 1 0 1 0 0 0 0 0 1 2 1 0 0
-------------------------------------------
---- Summary Of Residual Distance Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 0 1 1 0 2 1 0 1 0 1 0 0 0 0 0 0 2 1 0 0 0.50
0.2 - 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0.05
> 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 21 30 27 35 32 22 28 21 30 33 34 23 26 28 37 27 24 32 26 27 28.15
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 0.100 0.114 0.160 0.091 0.105 0.106 0.096 0.101 0.085 0.113 0.095 0.084 0.073 0.084 0.070 0.218 0.167 0.146 0.100 0.065 0.218
Max Intra Viol : 0.076 0.037 0.000 0.018 0.009 0.000 0.079 0.010 0.023 0.039 0.000 0.006 0.010 0.044 0.041 0.218 0.147 0.033 0.014 0.032 0.218
Max Seque Viol : 0.064 0.072 0.160 0.091 0.101 0.059 0.038 0.063 0.014 0.091 0.088 0.056 0.042 0.011 0.070 0.025 0.043 0.040 0.036 0.049 0.160
Max Medium Viol : 0.033 0.114 0.073 0.062 0.074 0.037 0.076 0.031 0.038 0.072 0.035 0.029 0.073 0.022 0.070 0.086 0.167 0.146 0.037 0.065 0.167
Max Long Viol : 0.100 0.084 0.093 0.062 0.105 0.106 0.096 0.101 0.085 0.113 0.095 0.084 0.070 0.084 0.052 0.097 0.095 0.099 0.100 0.060 0.113
Average Violation : 0.000 0.001 0.001 0.001 0.001 0.000 0.001 0.000 0.000 0.001 0.001 0.000 0.000 0.000 0.000 0.001 0.001 0.001 0.000 0.000 0.00049
Avge Intra Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.00010
Avge Seque Viol : 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.001 0.000 0.001 0.000 0.000 0.00031
Avge Mediu Viol : 0.001 0.001 0.001 0.001 0.001 0.000 0.000 0.001 0.000 0.001 0.001 0.000 0.000 0.000 0.001 0.000 0.001 0.001 0.000 0.001 0.00052
Avge Long Viol : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.00101
RMS Violation : 0.005 0.005 0.006 0.005 0.005 0.004 0.006 0.004 0.004 0.006 0.005 0.004 0.004 0.004 0.004 0.007 0.007 0.007 0.004 0.004 0.00520
RMS Intra : 0.003 0.002 0.000 0.001 0.000 0.000 0.003 0.000 0.001 0.002 0.000 0.000 0.000 0.002 0.003 0.010 0.007 0.002 0.001 0.001 0.00308
RMS Sequential : 0.002 0.006 0.005 0.003 0.005 0.002 0.004 0.002 0.003 0.004 0.002 0.002 0.005 0.001 0.005 0.005 0.008 0.008 0.002 0.003 0.00422
RMS Medium range : 0.005 0.006 0.011 0.007 0.007 0.004 0.002 0.005 0.001 0.007 0.007 0.004 0.003 0.001 0.005 0.003 0.004 0.004 0.002 0.005 0.00524
RMS Long range : 0.006 0.006 0.008 0.006 0.008 0.007 0.009 0.007 0.007 0.010 0.008 0.007 0.006 0.006 0.005 0.007 0.007 0.009 0.007 0.005 0.00719
Final --global-- Summary for 20 models, 1817 NOEs/model, 36340 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 17.927
Summ sq. viol : 0.983
Maximum viol : 0.218
Average viol : 0.00049
RMSD viol : 0.00520
Std. Dev. viol : 0.00518
RMS Intra : 0.00308
RMS Seque : 0.00422
RMS Medi : 0.00524
RMS Long : 0.00719
table of dihedral angle constraints violations
19-> [ARG A 20] PHI -159.1 -99.1 0.2 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.3]
21-> [THR A 21] PHI -155.8 -95.8 0.0 0.0 0.0 0.0 0.0 0.4 1.3 0.0 0.0 0.2 0.0 0.5 0.0 0.0 0.0 0.4 0.0 0.0 1.8 1.0 - 7 [ 0.0 .. 1.8]
24-> [VAL A 22] PSI 120.6 -179.4 0.0 1.1 0.0 0.4 1.2 0.3 0.4 1.0 0.5 0.5 1.4 0.0 0.0 0.4 0.0 0.9 0.3 0.0 0.8 0.9 - 14 [ 0.0 .. 1.4]
26-> [ALA A 25] PHI -131.4 -71.4 0.0 0.0 0.0 0.0 0.0 0.7 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 - 3 [ 0.0 .. 1.2]
27-> [ALA A 25] PSI 104.2 164.2 1.5 0.8 0.0 0.4 0.5 1.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 1.5]
66-> [GLU A 47] PSI -55.5 4.5 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.0]
79-> [GLN A 55] PHI -165.0 -105.0 0.0 2.0 0.0 0.0 0.0 0.0 1.2 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.2 0.0 0.0 - 5 [ 0.0 .. 2.2]
83-> [GLY A 57] PHI 47.6 107.6 0.0 0.0 1.8 0.0 0.0 0.0 0.3 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 - 3 [ 0.0 .. 1.8]
88-> [LYS A 59] PSI 95.4 155.4 0.0 0.5 0.0 0.0 0.0 0.0 0.0 1.5 0.8 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.5]
113-> [GLU A 74] PSI 111.8 171.8 0.0 1.0 0.0 0.5 0.9 0.0 0.1 0.0 0.4 1.4 1.6 0.3 0.8 1.0 0.0 0.7 0.0 0.4 0.0 0.0 - 12 [ 0.0 .. 1.6]
116-> [LEU A 76] PHI -154.3 -94.3 0.0 0.0 0.0 0.0 0.0 1.3 0.3 0.2 0.0 0.0 0.0 0.0 0.0 0.3 1.5 0.0 1.3 0.0 0.9 0.6 - 8 [ 0.0 .. 1.5]
---- 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 : 1 2 1 0 3 2 2 2 0 1 3 0 0 0 2 0 2 2 1 1 1.25
> 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 5 8 5 7 7 6 9 6 6 6 6 6 3 6 4 5 7 5 6 3 5.80
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 : 1.5 2.0 1.8 0.6 1.3 1.3 1.3 1.5 0.8 1.4 1.6 0.5 0.8 1.0 1.5 0.9 1.3 2.2 1.8 1.0 2.16
Max PHI Viol : 0.3 2.0 1.8 0.6 1.3 1.3 1.3 0.5 0.3 0.4 1.2 0.5 0.0 0.3 1.5 0.4 1.3 2.2 1.8 1.0 2.16
Max PSI Viol : 1.5 1.1 0.7 0.5 1.2 1.0 0.4 1.5 0.8 1.4 1.6 0.5 0.8 1.0 1.0 0.9 0.8 0.7 0.8 0.9 1.59
Average Violation : 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.030
Avge PHI Viol : 0.112 0.225 0.180 0.111 0.176 0.223 0.252 0.113 0.069 0.095 0.182 0.136 0.000 0.084 0.157 0.094 0.216 0.252 0.222 0.164 0.167
Avge PSI Viol : 0.183 0.242 0.139 0.162 0.235 0.143 0.089 0.217 0.201 0.208 0.231 0.132 0.160 0.161 0.176 0.175 0.182 0.130 0.172 0.119 0.177
RMS Violation : 0.151 0.253 0.175 0.095 0.208 0.174 0.175 0.176 0.113 0.153 0.233 0.087 0.095 0.101 0.176 0.114 0.190 0.241 0.212 0.134 0.170
RMS PHI Viol : 0.058 0.284 0.230 0.080 0.175 0.210 0.246 0.074 0.037 0.052 0.183 0.091 0.000 0.039 0.191 0.057 0.228 0.332 0.264 0.153 0.177
RMS PSI Viol : 0.202 0.222 0.099 0.107 0.234 0.133 0.056 0.233 0.153 0.206 0.271 0.084 0.132 0.135 0.160 0.148 0.147 0.099 0.148 0.114 0.164
Final --global-- Summary for 20 models, 125 ACOs/model, 2500 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 74.29
Summ. Sq. Viol. : 72.52
Max. Viol. : 2.157
Avg. Viol. : 0.02972
RMS Viol. : 0.17032
Std. Dev. Viol. : 0.16771
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 0.335 0.447 0.217
MET A 2 0.267 0.935 0.493 0.415 0.087
PRO A 3 0.984 0.864 0.935 0.866 3
LYS A 4 0.918 0.703 0.554 0.666 0.193 0.332
SER A 5 0.565 0.919 0.046
PRO A 6 0.985 0.736 0.928 0.868
GLN A 7 0.881 0.733 0.176 0.852 0.568
LYS A 8 0.945 0.993 0.782 0.252 0.578 0.498 8 8
PRO A 9 0.996 0.985 0.998 1.000 9 9
ILE A 10 0.992 0.998 0.998 0.724 10 10
VAL A 11 0.998 0.997 1.000 11 11
ARG A 12 0.994 0.988 0.992 0.890 0.709 0.774 0.999 12 12
VAL A 13 0.989 0.991 1.000 13 13
PHE A 14 0.991 0.991 0.997 0.233 14 14
LEU A 15 0.984 0.995 0.999 1.000 15 15
PRO A 16 0.997 0.986 0.937 0.868 16 16
ASN A 17 0.996 0.978 0.731 0.774 17 17
LYS A 18 0.998 0.975 0.917 0.498 0.493 0.243 18 18
GLN A 19 0.965 0.976 0.998 0.946 0.958 19 19
ARG A 20 0.965 0.988 0.508 0.401 0.416 0.766 0.999 20 20
THR A 21 0.995 0.980 0.998 21 21
VAL A 22 0.984 0.997 0.999 22 22
VAL A 23 0.997 0.995 0.999 23 23
PRO A 24 0.996 0.990 0.927 0.853 24 24
ALA A 25 0.981 0.975 25 25
ARG A 26 0.964 0.977 0.882 0.990 0.724 0.729 0.999 26 26
CYS A 27 0.985 0.977 0.999 27 27
GLY A 28 0.971 0.945 28 28
VAL A 29 0.954 0.990 0.999 29 29
THR A 30 0.996 0.997 0.998 30 30
VAL A 31 0.999 0.998 1.000 31 31
ARG A 32 0.997 0.986 0.996 0.884 0.269 0.724 0.999 32 32
ASP A 33 0.992 0.981 0.634 0.326 33 33
SER A 34 0.986 0.991 0.257 34 34
LEU A 35 0.986 0.986 0.999 0.999 35 35
LYS A 36 0.998 0.988 0.996 0.991 0.191 0.302 36 36
LYS A 37 0.996 0.991 0.513 0.855 0.273 0.241 37 37
ALA A 38 0.997 0.995 38 38
LEU A 39 0.992 0.991 1.000 1.000 39 39
MET A 40 0.999 0.997 0.998 0.482 0.423 40 40
MET A 41 0.999 0.992 0.999 0.998 0.043 41 41
ARG A 42 0.983 0.986 0.995 0.692 0.115 0.779 0.999 42 42
GLY A 43 0.981 0.982 43 43
LEU A 44 0.982 0.984 0.999 0.947 44 44
ILE A 45 0.970 0.995 0.999 1.000 45 45
PRO A 46 0.998 0.989 0.940 0.868 46 46
GLU A 47 0.991 0.982 0.537 0.342 0.372 47 47
CYS A 48 0.987 0.980 0.998 48 48
CYS A 49 0.993 0.970 0.999 49 49
ALA A 50 0.983 0.991 50 50
VAL A 51 0.992 0.993 0.999 51 51
TYR A 52 0.993 0.995 0.997 0.403 52 52
ARG A 53 0.987 0.979 0.911 0.987 0.585 0.658 0.999 53 53
ILE A 54 0.979 0.973 1.000 1.000 54 54
GLN A 55 0.952 0.977 0.841 0.611 0.278 55 55
ASP A 56 0.999 0.995 0.643 0.341 56 56
GLY A 57 0.983 0.979 57 57
GLU A 58 0.970 0.966 0.682 0.737 0.416 58 58
LYS A 59 0.983 0.965 0.998 0.992 0.556 0.799 59 59
LYS A 60 0.976 0.991 0.678 0.263 0.949 0.073 60 60
PRO A 61 0.997 0.974 0.954 0.902 61 61
ILE A 62 0.975 0.988 0.999 0.890 62 62
GLY A 63 0.982 0.994 63 63
TRP A 64 0.998 0.994 0.998 0.997 64 64
ASP A 65 0.996 0.975 0.534 0.607 65 65
THR A 66 0.987 0.998 0.997 66 66
ASP A 67 0.997 0.996 0.761 0.777 67 67
ILE A 68 0.997 1.000 0.999 0.542 68 68
SER A 69 0.998 0.996 0.524 69 69
TRP A 70 0.996 0.994 0.999 0.984 70 70
LEU A 71 0.996 0.994 0.999 0.999 71 71
THR A 72 0.997 0.994 0.999 72 72
GLY A 73 0.989 0.963 73 73
GLU A 74 0.979 0.994 0.462 0.545 0.323 74 74
GLU A 75 0.994 0.984 0.861 0.520 0.514 75 75
LEU A 76 0.991 0.973 0.999 0.999 76 76
HIS A 77 0.982 0.985 0.996 0.987 77 77
VAL A 78 0.993 0.987 0.999 78 78
GLU A 79 0.959 0.981 0.500 0.573 0.306 79 79
VAL A 80 0.991 0.981 0.999 80 80
LEU A 81 0.972 0.979 0.997 0.999 81 81
GLU A 82 0.908 0.909 0.544 0.692 0.292 82 82
ASN A 83 0.952 0.768 0.286 0.336
VAL A 84 0.753 0.925 0.383
PRO A 85 0.990 0.865 0.953 0.905 85
LEU A 86 0.905 0.390 0.387
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_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 1 is: 0.513
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 2 is: 0.536
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 3 is: 0.586
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 4 is: 0.507
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 5 is: 0.485
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 6 is: 0.417 (*)
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 7 is: 0.735
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 8 is: 0.455
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 9 is: 0.683
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 10 is: 0.509
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 11 is: 0.485
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 12 is: 0.524
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 13 is: 0.551
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 14 is: 0.552
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 15 is: 0.727
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 16 is: 0.615
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 17 is: 0.576
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 18 is: 0.446
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 19 is: 0.505
> Kabsch RMSD of backbone atoms in res. A[8..82],for model 20 is: 0.640
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[8..82], is: 0.552
> Range of RMSD values to reference struct. is 0.417 to 0.735
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 1 is: 1.042
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 2 is: 1.014
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 3 is: 1.066
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 4 is: 1.016
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 5 is: 0.888 (*)
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 6 is: 0.963
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 7 is: 1.190
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 8 is: 0.892
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 9 is: 1.063
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 10 is: 0.918
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 11 is: 1.038
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 12 is: 1.055
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 13 is: 0.922
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 14 is: 1.004
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 15 is: 1.139
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 16 is: 1.094
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 17 is: 1.030
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 18 is: 0.937
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 19 is: 0.948
> Kabsch RMSD of heavy atoms in res. A[8..82],for model 20 is: 0.985
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[8..82], is: 1.010
> Range of RMSD values to reference struct. is 0.888 to 1.190
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..86],for model 1 is: 1.004
> Kabsch RMSD of backb atoms in res. *[1..86],for model 2 is: 2.206
> Kabsch RMSD of backb atoms in res. *[1..86],for model 3 is: 1.359
> Kabsch RMSD of backb atoms in res. *[1..86],for model 4 is: 1.301
> Kabsch RMSD of backb atoms in res. *[1..86],for model 5 is: 1.204
> Kabsch RMSD of backb atoms in res. *[1..86],for model 6 is: 1.855
> Kabsch RMSD of backb atoms in res. *[1..86],for model 7 is: 2.457
> Kabsch RMSD of backb atoms in res. *[1..86],for model 8 is: 1.962
> Kabsch RMSD of backb atoms in res. *[1..86],for model 9 is: 1.449
> Kabsch RMSD of backb atoms in res. *[1..86],for model 10 is: 1.053
> Kabsch RMSD of backb atoms in res. *[1..86],for model 11 is: 1.873
> Kabsch RMSD of backb atoms in res. *[1..86],for model 12 is: 1.041
> Kabsch RMSD of backb atoms in res. *[1..86],for model 13 is: 2.219
> Kabsch RMSD of backb atoms in res. *[1..86],for model 14 is: 1.079
> Kabsch RMSD of backb atoms in res. *[1..86],for model 15 is: 2.056
> Kabsch RMSD of backb atoms in res. *[1..86],for model 16 is: 0.865 (*)
> Kabsch RMSD of backb atoms in res. *[1..86],for model 17 is: 1.991
> Kabsch RMSD of backb atoms in res. *[1..86],for model 18 is: 0.888
> Kabsch RMSD of backb atoms in res. *[1..86],for model 19 is: 1.224
> Kabsch RMSD of backb atoms in res. *[1..86],for model 20 is: 1.922
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..86], is: 1.550
> Range of RMSD values to reference struct. is 0.865 to 2.457
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 1 is: 1.600
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 2 is: 2.612
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 3 is: 1.704
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 4 is: 1.693
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 5 is: 1.670
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 6 is: 2.371
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 7 is: 2.927
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 8 is: 2.316
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 9 is: 1.924
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 10 is: 1.493
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 11 is: 2.156
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 12 is: 1.588
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 13 is: 2.513
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 14 is: 1.519
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 15 is: 2.374
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 16 is: 1.544
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 17 is: 2.239
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 18 is: 1.329 (*)
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 19 is: 1.760
> Kabsch RMSD of heavy atoms in res. *[1..86],for model 20 is: 2.342
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..86], is: 1.984
> Range of RMSD values to reference struct. is 1.329 to 2.927
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 1.6 0.6 0.6
All heavy atoms 2.0 1.0 1.0
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_NMR_em_bcr3_020.rin 0.0 1500 residues |
| |
+| Ramachandran plot: 91.9% core 8.0% allow 0.1% gener 0.0% disall |
| |
+| All Ramachandrans: 5 labelled residues (out of1500) |
+| Chi1-chi2 plots: 12 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 -0.49
9 -0.03
10 -0.77
11 0.30
12 -0.96
13 0.03
14 -0.75
15 -0.59
16 -0.60
17 -0.29
18 -1.47
19 -0.92
20 -0.58
21 -0.87
22 0.25
23 -0.03
24 -0.26
25 -1.51
26 -0.35
27 -0.04
28 0.02
29 -0.12
30 -0.27
31 0.45
32 0.55
33 0.49
34 -0.48
35 -0.72
36 0.60
37 0.34
38 0.76
39 0.61
40 0.57
41 -0.47
42 -0.73
43 0.05
44 -0.83
45 -0.38
46 0.11
47 -0.20
48 -0.93
49 -0.21
50 -1.01
51 0.04
52 0.18
53 -0.39
54 -0.94
55 -0.60
56 -0.91
57 0.60
58 -0.57
59 -1.31
60 -0.72
61 -0.47
62 -0.01
63 -0.89
64 0.41
65 -0.10
66 -0.27
67 -0.49
68 -0.71
69 0.76
70 0.15
71 -1.44
72 -1.47
73 0.57
74 -1.49
75 -0.72
76 -0.43
77 -0.32
78 0.22
79 -0.98
80 -0.36
81 -1.45
82 -1.05
#Reported_Model_Average -0.359
#Overall_Average_Reported -0.359
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 -0.40
9 -0.03
10 -0.88
11 0.34
12 -0.30
13 0.16
14 -0.26
15 0.14
16 -0.60
17 0.05
18 -0.55
19 -0.26
20 -0.89
21 -0.83
22 0.34
23 -0.13
24 -0.26
25 -1.51
26 0.07
27 0.10
28 0.02
29 0.22
30 -0.08
31 0.55
32 0.21
33 -0.07
34 -0.18
35 0.04
36 0.28
37 0.42
38 0.76
39 0.74
40 0.35
41 -0.33
42 -0.21
43 0.05
44 -0.06
45 -0.36
46 0.11
47 -0.32
48 -0.28
49 0.16
50 -1.01
51 0.16
52 -0.15
53 -0.30
54 -0.21
55 -0.22
56 -0.83
57 0.60
58 -0.05
59 -0.12
60 -0.37
61 -0.47
62 0.09
63 -0.89
64 0.77
65 -0.64
66 0.04
67 -0.91
68 -0.84
69 0.47
70 -1.21
71 -0.50
72 -0.38
73 0.57
74 -0.71
75 -0.20
76 0.11
77 0.19
78 0.24
79 -0.56
80 0.05
81 -0.29
82 -0.31
#Reported_Model_Average -0.154
#Overall_Average_Reported -0.154
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 0.47 0.47 0.47 0.47 0.47 0.47 -0.72 0.47 -0.10 -2.12 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10
9 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
10 0.09 -0.35 -0.35 -0.35 -0.35 -0.35 0.26 -0.35 -0.35 -0.35 0.26 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35
11 1.18 1.18 1.18 1.18 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.18 0.71 1.18 1.18
12 0.84 0.19 0.19 0.19 -0.89 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 -0.89
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 -0.56 -0.56 -0.56 0.37 0.37 -0.56 -0.56 -0.56 0.37 -0.56 -0.56 -0.56 0.37 0.37 0.37 0.37 0.37 0.37 -0.56 -0.56
15 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
16 0.64 -0.07 0.64 0.64 0.64 0.64 0.59 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.59 0.59 0.64 0.64 0.64
17 0.41 0.51 0.41 0.41 0.41 0.41 0.51 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
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 0.10 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
20 0.19 0.19 0.19 -0.89 0.19 0.19 -1.12 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
21 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
22 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
23 0.44 0.44 0.71 0.16 0.71 0.71 0.44 0.71 0.71 0.16 0.16 0.44 0.71 0.71 0.71 0.44 0.44 0.71 0.71 0.44
24 -1.01 -1.01 -1.01 -1.01 -0.65 -1.01 -0.65 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -0.65 -1.01 -1.01 -1.01 -0.65 -1.01
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 0.71 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.71 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 -0.09 -0.74 -0.74 -0.74 -0.09 -0.09 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.09
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 0.74 0.74 0.74
32 1.10 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 1.10 1.10 1.10 0.56 0.56
33 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.44 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 1.30 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
36 0.66 0.66 0.56 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 0.07 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.07 0.66 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 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30
40 -0.90 -0.27 -0.27 -0.90 -0.27 -0.90 -0.90 -0.27 -0.27 -0.90 -0.90 -0.90 -0.27 -0.27 -0.90 -0.90 -0.27 -0.27 -0.90 -0.90
41 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27
42 -0.11 -0.11 1.10 0.56 1.10 1.10 1.10 1.10 1.10 0.56 1.10 -0.11 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
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 0.29 0.29 -0.33 1.06 1.06 0.77 1.06 0.77 -0.33 1.06 -0.33 1.06 1.06 1.06 0.77 0.77 1.06 0.77 -0.33
45 -0.94 -0.94 -0.28 -0.94 -0.54 -0.28 -0.94 -0.94 -0.28 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.28 -0.28 -0.94
46 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 -0.07 0.64 0.64 0.64 0.64 0.64 0.64 -0.07 0.64 0.64 0.64 0.64
47 0.28 0.04 0.28 0.28 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.28 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04
48 -0.35 1.29 -0.35 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 -0.35 -0.35 1.29 1.29 1.29 -0.35
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 0.59 0.14 0.59 0.14 0.59 -0.52 0.14 0.59 0.59 0.14 0.59 0.59 0.59 0.14 0.59 0.59 0.59 0.59 0.59
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 1.30 1.09 1.09 1.30 1.09 1.30 1.30 1.09 1.09 1.30 1.09 1.09 1.09 1.30 1.30 1.09 1.09 1.30 1.09 1.30
53 0.84 0.84 0.84 0.84 0.84 -0.41 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 -0.41 0.84 0.84 0.84 0.84
54 -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
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 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 -0.37 0.41 -0.37 0.41 0.41 -0.37 0.41 -0.37 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 -1.54 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 -1.01 -0.88 -0.88 -0.88 -1.01 -0.88 -0.88 -0.88 -0.88
62 1.07 1.50 1.50 1.07 1.50 1.50 1.07 1.50 1.07 1.07 1.50 1.07 1.07 1.50 1.50 1.50 1.50 1.07 1.50 1.07
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 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62
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 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.55 0.55 0.08 0.08 0.55 0.08 0.08 0.08 0.55 0.55 0.08 0.08 0.55
67 0.51 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
68 0.81 0.81 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.81 0.81 0.93 0.93 0.81 0.93 0.93 0.81 0.93
69 0.59 0.59 0.17 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
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 0.08 0.08 0.55 0.55 0.08 0.55 0.55 0.08 0.55 0.55 0.55 0.55 0.08 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 -0.46 0.28 0.28 -0.46 -0.46 -0.46 -0.46 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28
75 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
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 -0.53 0.80 0.80 0.80 0.80 -0.05 -0.49 0.80 0.80 0.80 -0.53 0.80 0.80 0.80 0.80 0.80 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 0.08 1.18 0.08 0.44 0.44 0.71 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.08 0.44 0.08 0.08
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 0.04 0.28 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.28 0.28 0.28 0.28 0.28
#Reported_Model_Average 0.432 0.425 0.469 0.439 0.457 0.484 0.440 0.431 0.473 0.427 0.431 0.405 0.460 0.476 0.463 0.452 0.463 0.498 0.476 0.421
#Overall_Average_Reported 0.451
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 0.47 0.47 0.47 0.47 0.47 0.47 -0.72 0.47 -0.10 -2.12 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10
9 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
10 0.09 -0.35 -0.35 -0.35 -0.35 -0.35 0.26 -0.35 -0.35 -0.35 0.26 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35
11 1.18 1.18 1.18 1.18 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.18 0.71 1.18 1.18
12 0.84 0.19 0.19 0.19 -0.89 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 -0.89
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 -0.56 -0.56 -0.56 0.37 0.37 -0.56 -0.56 -0.56 0.37 -0.56 -0.56 -0.56 0.37 0.37 0.37 0.37 0.37 0.37 -0.56 -0.56
15 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
16 0.64 -0.07 0.64 0.64 0.64 0.64 0.59 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.59 0.59 0.64 0.64 0.64
17 0.41 0.51 0.41 0.41 0.41 0.41 0.51 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
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 0.10 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
20 0.19 0.19 0.19 -0.89 0.19 0.19 -1.12 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
21 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
22 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
23 0.44 0.44 0.71 0.16 0.71 0.71 0.44 0.71 0.71 0.16 0.16 0.44 0.71 0.71 0.71 0.44 0.44 0.71 0.71 0.44
24 -1.01 -1.01 -1.01 -1.01 -0.65 -1.01 -0.65 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -0.65 -1.01 -1.01 -1.01 -0.65 -1.01
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 0.71 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.71 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 -0.09 -0.74 -0.74 -0.74 -0.09 -0.09 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.09
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 0.74 0.74 0.74
32 1.10 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 1.10 1.10 1.10 0.56 0.56
33 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.44 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 1.30 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
36 0.66 0.66 0.56 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 0.07 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.07 0.66 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 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30
40 -0.90 -0.27 -0.27 -0.90 -0.27 -0.90 -0.90 -0.27 -0.27 -0.90 -0.90 -0.90 -0.27 -0.27 -0.90 -0.90 -0.27 -0.27 -0.90 -0.90
41 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27
42 -0.11 -0.11 1.10 0.56 1.10 1.10 1.10 1.10 1.10 0.56 1.10 -0.11 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
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 0.29 0.29 -0.33 1.06 1.06 0.77 1.06 0.77 -0.33 1.06 -0.33 1.06 1.06 1.06 0.77 0.77 1.06 0.77 -0.33
45 -0.94 -0.94 -0.28 -0.94 -0.54 -0.28 -0.94 -0.94 -0.28 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.28 -0.28 -0.94
46 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 -0.07 0.64 0.64 0.64 0.64 0.64 0.64 -0.07 0.64 0.64 0.64 0.64
47 0.28 0.04 0.28 0.28 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.28 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04
48 -0.35 1.29 -0.35 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 -0.35 -0.35 1.29 1.29 1.29 -0.35
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 0.59 0.14 0.59 0.14 0.59 -0.52 0.14 0.59 0.59 0.14 0.59 0.59 0.59 0.14 0.59 0.59 0.59 0.59 0.59
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 1.30 1.09 1.09 1.30 1.09 1.30 1.30 1.09 1.09 1.30 1.09 1.09 1.09 1.30 1.30 1.09 1.09 1.30 1.09 1.30
53 0.84 0.84 0.84 0.84 0.84 -0.41 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 -0.41 0.84 0.84 0.84 0.84
54 -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
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 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 -0.37 0.41 -0.37 0.41 0.41 -0.37 0.41 -0.37 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 -1.54 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 -1.01 -0.88 -0.88 -0.88 -1.01 -0.88 -0.88 -0.88 -0.88
62 1.07 1.50 1.50 1.07 1.50 1.50 1.07 1.50 1.07 1.07 1.50 1.07 1.07 1.50 1.50 1.50 1.50 1.07 1.50 1.07
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 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62 1.62
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 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.55 0.55 0.08 0.08 0.55 0.08 0.08 0.08 0.55 0.55 0.08 0.08 0.55
67 0.51 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
68 0.81 0.81 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.81 0.81 0.93 0.93 0.81 0.93 0.93 0.81 0.93
69 0.59 0.59 0.17 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
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 0.08 0.08 0.55 0.55 0.08 0.55 0.55 0.08 0.55 0.55 0.55 0.55 0.08 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 -0.46 0.28 0.28 -0.46 -0.46 -0.46 -0.46 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28
75 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
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 -0.53 0.80 0.80 0.80 0.80 -0.05 -0.49 0.80 0.80 0.80 -0.53 0.80 0.80 0.80 0.80 0.80 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 0.08 1.18 0.08 0.44 0.44 0.71 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.08 0.44 0.08 0.08
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 0.04 0.28 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.28 0.28 0.28 0.28 0.28
#Reported_Model_Average 0.432 0.425 0.469 0.439 0.457 0.484 0.440 0.431 0.473 0.427 0.431 0.405 0.460 0.476 0.463 0.452 0.463 0.498 0.476 0.421
#Overall_Average_Reported 0.451
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 2 0 0 0 0 2 1 0 2 0 0 0 0 0
9.000 0 1 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 1
10.000 0 0 0 0 1 0 1 1 1 0 0 2 0 0 0 0 0 1 0 0
11.000 1 0 1 1 1 0 0 1 0 3 0 1 1 1 1 0 0 1 1 0
12.000 3 2 2 0 1 1 3 0 0 0 1 1 0 1 2 1 0 2 2 0
13.000 1 1 0 1 2 2 0 1 1 1 1 1 2 2 4 1 1 1 3 1
14.000 0 0 1 0 0 0 1 0 2 0 0 0 0 0 0 1 0 0 0 0
15.000 1 1 0 1 1 1 1 2 2 1 1 1 1 1 1 0 2 1 1 2
16.000 0 1 0 1 1 0 0 1 2 1 1 0 0 1 0 1 1 0 1 1
17.000 1 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0
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 0 0 2 1 1 1 1 2 0 1 2 0 1 1 0 1 1 1 1
20.000 2 0 0 0 0 4 0 0 2 0 0 2 0 0 0 1 0 2 0 0
21.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0
22.000 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 1 0 0
23.000 1 0 0 0 1 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0
24.000 0 0 0 0 0 1 1 0 0 0 0 2 0 0 0 0 1 2 0 0
25.000 1 0 1 1 1 1 1 1 1 2 0 1 1 0 1 0 0 1 1 1
26.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 3 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 1 0 1 1 0 1 0 0 0 0 1 0 0 0 0 1 2 0 0
30.000 0 0 0 0 1 0 1 0 0 0 1 1 0 0 0 1 0 0 0 1
31.000 1 1 1 0 1 0 1 0 1 1 0 0 1 0 2 1 0 1 1 1
32.000 1 2 3 1 3 0 1 1 3 2 2 3 2 2 1 2 2 2 1 2
33.000 0 1 1 0 0 0 0 0 1 1 0 1 0 3 1 0 0 1 1 1
34.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
35.000 1 1 0 1 3 1 0 0 1 1 0 0 1 1 3 2 0 1 1 0
36.000 0 1 2 0 0 0 0 1 2 1 0 1 4 6 1 0 0 1 1 1
37.000 0 0 1 0 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0
38.000 1 1 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0
39.000 2 1 0 0 1 0 0 0 0 0 0 0 1 0 2 0 1 0 1 0
40.000 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 2 0 0 0 0
41.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
42.000 2 2 1 0 1 1 1 0 0 4 1 1 1 0 0 0 0 1 1 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 1 1 1 0 0 0 0 0 0 0 1 0 2 0 2 0 0 0 0 0
45.000 0 0 0 0 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0
46.000 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0
47.000 0 0 1 0 3 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0
48.000 0 0 3 0 3 0 0 0 0 0 1 0 0 1 0 0 0 0 3 0
49.000 0 1 0 1 0 0 0 0 0 1 0 0 1 0 1 0 1 0 0 0
50.000 0 1 0 1 0 1 1 1 0 2 1 1 0 1 1 1 2 1 2 2
51.000 0 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1
52.000 0 1 0 0 0 0 0 0 1 2 0 1 0 0 1 0 0 1 1 0
53.000 0 1 0 1 1 0 4 0 1 0 1 1 0 1 0 1 0 1 2 0
54.000 0 0 1 0 0 0 0 0 0 0 1 1 2 1 1 1 0 1 1 0
55.000 0 0 1 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 1 2
56.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 2 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0
59.000 0 1 0 0 0 0 0 0 1 1 1 1 1 1 2 1 0 1 1 0
60.000 1 1 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 2
61.000 1 0 0 0 0 0 0 1 0 1 0 2 0 0 0 0 0 0 0 0
62.000 2 1 2 1 1 0 2 1 1 4 1 4 0 1 1 1 0 1 0 1
63.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
64.000 2 2 2 1 3 0 1 1 1 2 3 2 2 1 4 3 3 2 2 2
65.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
66.000 1 1 1 0 1 0 1 0 1 1 0 0 1 0 1 1 0 1 1 1
67.000 1 0 0 0 1 1 2 0 1 1 1 2 0 0 2 1 0 0 1 2
68.000 1 1 0 1 1 1 1 1 0 1 1 2 0 0 1 0 1 0 0 0
69.000 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0
70.000 1 0 0 0 0 1 1 0 1 1 1 1 0 0 2 0 0 0 1 1
71.000 1 1 1 1 1 2 1 1 0 1 0 1 0 1 1 2 2 0 0 2
72.000 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0
75.000 1 2 3 0 1 1 2 0 1 0 1 1 0 1 2 1 0 1 2 0
76.000 1 1 0 1 1 2 1 1 0 0 1 1 1 0 1 2 3 0 1 2
77.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
78.000 0 2 1 4 1 2 1 1 1 3 1 1 1 2 1 1 3 1 3 2
79.000 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 1 0 1 1 0
80.000 0 0 1 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 1 0
81.000 0 1 0 0 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1
82.000 0 0 1 0 3 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.453 0.533 0.533 0.320 0.653 0.400 0.547 0.347 0.533 0.627 0.467 0.707 0.413 0.480 0.693 0.427 0.400 0.533 0.613 0.453
#Overall_Average_Reported 0.507
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.583: 75
: 1396:A 39 LEU 2HB :A 44 LEU O : -0.482: 22
: 1396:A 39 LEU 1HD1 :A 64 TRP CZ3 : -0.424: 24
: 1396:A 75 GLU 1HG :A 12 ARG 1HB : -0.550: 54
: 1396:A 12 ARG 1HH1 :A 12 ARG 1HD : -0.407: 54
: 1396:A 71 LEU 1HD1 :A 62 ILE 1HG2 : -0.536: 31
: 1396:A 76 LEU 2HD2 :A 62 ILE 2HD1 : -0.419: 24
: 1396:A 38 ALA O :A 42 ARG 1HG : -0.520: 51
: 1396:A 17 ASN 1HB :A 42 ARG 2HH2 : -0.495: 23
: 1396:A 70 TRP CD1 :A 67 ASP 1HB : -0.476: 64
: 1396:A 13 VAL 1HG2 :A 35 LEU 1HD2 : -0.470: 64
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.468: 42
: 1396:A 31 VAL 3HG2 :A 66 THR O : -0.464: 42
: 1396:A 61 PRO 2HD :A 60 LYS HA : -0.460: 45
: 1396:A 11 VAL 3HG2 :A 25 ALA 2HB : -0.441: 25
: 1396:A 23 VAL 3HG2 :A 68 ILE 1HD1 : -0.433: 75
: 1396:A 4 LYS 2HB :A 4 LYS NZ : -0.427: 64
: 1396:A 20 ARG 2HD :A 20 ARG N : -0.419: 43
#sum2 ::12.89 clashscore : 8.32 clashscore B<40
#summary::1396 atoms:721 atoms B<40:155872 potential dots:9742.0 A^2:18 bumps:6 bumps B<40:341.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 75 GLU 2HB :A 12 ARG 1HB : -0.731: 32
: 1396:A 75 GLU CB :A 12 ARG 1HB : -0.500: 32
: 1396:A 33 ASP HA :A 36 LYS 2HE : -0.684: 75
: 1396:A 13 VAL 1HG2 :A 35 LEU 1HD2 : -0.611: 23
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.593: 24
: 1396:A 64 TRP HE3 :A 32 ARG HA : -0.485: 52
: 1396:A 76 LEU 1HD2 :A 71 LEU 3HD1 : -0.557: 64
: 1396:A 9 PRO 1HB :A 72 THR 3HG2 : -0.527: 13
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.510: 52
: 1396:A 49 CYS 2HB :A 78 VAL CG1 : -0.437: 41
: 1396:A 16 PRO 1HG :A 42 ARG 2HH1 : -0.497: 26
: 1396:A 42 ARG 2HG :A 41 MET 2HG : -0.440: 44
: 1396:A 15 LEU 1HD1 :A 38 ALA 1HB : -0.486: 24
: 1396:A 59 LYS 2HE :A 52 TYR CE2 : -0.479: 50
: 1396:A 50 ALA 2HB :A 81 LEU 1HD2 : -0.452: 33
: 1396:A 60 LYS 2HE :A 58 GLU 2HB : -0.433: 75
: 1396:A 31 VAL 3HG2 :A 66 THR O : -0.416: 43
: 1396:A 39 LEU 2HB :A 44 LEU O : -0.415: 63
: 1396:A 68 ILE 2HG2 :A 29 VAL O : -0.408: 53
: 1396:A 53 ARG 2HD :A 62 ILE 1HD1 : -0.407: 55
#sum2 ::14.33 clashscore : 10.93 clashscore B<40
#summary::1396 atoms:732 atoms B<40:155862 potential dots:9741.0 A^2:20 bumps:8 bumps B<40:330 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 82 GLU 1HB :A 48 CYS SG : -0.629: 13
: 1396:A 48 CYS O :A 48 CYS SG : -0.409: 22
: 1396:A 12 ARG 1HB :A 75 GLU 1HG : -0.610: 74
: 1396:A 75 GLU HA :A 12 ARG O : -0.469: 31
: 1396:A 14 PHE HE1 :A 75 GLU 2HB : -0.411: 21
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.596: 53
: 1396:A 62 ILE 1HG2 :A 71 LEU 1HD1 : -0.469: 41
: 1396:A 51 VAL 2HG1 :A 62 ILE 2HD1 : -0.408: 4
: 1396:A 2 MET N :A 2 MET SD : -0.566: 42
: 1396:A 33 ASP HA :A 36 LYS 2HE : -0.566: 32
: 1396:A 36 LYS 2HB :A 46 PRO 2HG : -0.449: 72
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.556: 32
: 1396:A 64 TRP HE3 :A 32 ARG HA : -0.467: 61
: 1396:A 47 GLU OE2 :A 32 ARG 1HD : -0.421: 24
: 1396:A 58 GLU 1HG :A 55 GLN O : -0.542: 33
: 1396:A 54 ILE HA :A 58 GLU O : -0.413: 73
: 1396:A 11 VAL 3HG2 :A 25 ALA 2HB : -0.493: 73
: 1396:A 37 LYS 1HG :A 34 SER O : -0.478: 45
: 1396:A 31 VAL 3HG2 :A 66 THR O : -0.472: 61
: 1396:A 80 VAL 1HG2 :A 44 LEU 3HD1 : -0.432: 51
: 1396:A 86 LEU N :A 86 LEU 2HD1 : -0.430: 72
: 1396:A 38 ALA O :A 42 ARG 1HG : -0.423: 33
#sum2 ::15.76 clashscore : 13.39 clashscore B<40
#summary::1396 atoms:747 atoms B<40:155692 potential dots:9731.0 A^2:22 bumps:10 bumps B<40:303.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.601: 74
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.556: 41
: 1396:A 19 GLN 1HG :A 17 ASN O : -0.500: 44
: 1396:A 76 LEU 1HD1 :A 71 LEU 3HD1 : -0.550: 70
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.526: 61
: 1396:A 78 VAL CG1 :A 49 CYS 2HB : -0.517: 55
: 1396:A 50 ALA O :A 78 VAL HA : -0.463: 14
: 1396:A 78 VAL HB :A 16 PRO 2HD : -0.401: 62
: 1396:A 62 ILE 1HD1 :A 53 ARG 2HB : -0.522: 23
: 1396:A 11 VAL 3HG2 :A 25 ALA 2HB : -0.503: 73
: 1396:A 68 ILE 2HG2 :A 29 VAL O : -0.441: 70
: 1396:A 13 VAL 1HG2 :A 35 LEU 1HD2 : -0.412: 74
#sum2 ::8.60 clashscore : 2.93 clashscore B<40
#summary::1396 atoms:683 atoms B<40:155866 potential dots:9742.0 A^2:12 bumps:2 bumps B<40:336.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 80 VAL 3HG2 :A 16 PRO 2HG : -0.597: 51
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.590: 72
: 1396:A 75 GLU 2HG :A 12 ARG 1HB : -0.586: 71
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.572: 72
: 1396:A 23 VAL 1HG1 :A 35 LEU 3HD2 : -0.537: 72
: 1396:A 13 VAL 1HG2 :A 35 LEU 1HD2 : -0.528: 72
: 1396:A 76 LEU 2HD1 :A 13 VAL 2HG2 : -0.503: 40
: 1396:A 64 TRP CH2 :A 39 LEU 1HD1 : -0.439: 2
: 1396:A 35 LEU 1HB :A 64 TRP HZ3 : -0.402: 64
: 1396:A 32 ARG 1HH1 :A 32 ARG 1HD : -0.401: 50
: 1396:A 62 ILE 1HD1 :A 53 ARG 2HB : -0.565: 62
: 1396:A 45 ILE 2HG1 :A 48 CYS 2HB : -0.565: 31
: 1396:A 82 GLU 2HB :A 84 VAL 2HG1 : -0.505: 35
: 1396:A 48 CYS SG :A 82 GLU O : -0.464: 23
: 1396:A 47 GLU CD :A 47 GLU H : -0.451: 51
: 1396:A 82 GLU 1HB :A 48 CYS SG : -0.423: 35
: 1396:A 45 ILE HB :A 47 GLU OE2 : -0.400: 40
: 1396:A 86 LEU N :A 86 LEU 3HD2 : -0.547: 34
: 1396:A 30 THR HA :A 67 ASP HA : -0.454: 21
: 1396:A 31 VAL 3HG2 :A 66 THR O : -0.434: 52
: 1396:A 71 LEU O :A 74 GLU 1HG : -0.431: 43
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.426: 42
: 1396:A 11 VAL 3HG2 :A 25 ALA 2HB : -0.420: 60
: 1396:A 10 ILE HB :A 22 VAL 2HG1 : -0.417: 53
: 1396:A 38 ALA O :A 42 ARG 1HG : -0.415: 51
: 1396:A 68 ILE 2HG2 :A 29 VAL O : -0.414: 45
#sum2 ::18.62 clashscore : 9.76 clashscore B<40
#summary::1396 atoms:717 atoms B<40:155713 potential dots:9732.0 A^2:26 bumps:7 bumps B<40:348.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 13 VAL 1HG2 :A 35 LEU 1HD2 : -0.622: 43
: 1396:A 13 VAL 2HG2 :A 76 LEU 2HD1 : -0.548: 43
: 1396:A 71 LEU 2HD1 :A 68 ILE 2HD1 : -0.504: 35
: 1396:A 71 LEU 3HD1 :A 76 LEU 1HD2 : -0.401: 24
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.581: 32
: 1396:A 50 ALA O :A 78 VAL HA : -0.464: 14
: 1396:A 25 ALA 1HB :A 69 SER HA : -0.575: 61
: 1396:A 75 GLU 1HG :A 12 ARG 1HB : -0.571: 52
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.562: 60
: 1396:A 70 TRP CD1 :A 67 ASP 1HB : -0.526: 40
: 1396:A 9 PRO 1HB :A 72 THR 3HG2 : -0.480: 65
: 1396:A 20 ARG 1HD :A 20 ARG N : -0.433: 23
: 1396:A 20 ARG 1HH1 :A 20 ARG 2HD : -0.407: 53
: 1396:A 6 PRO 2HD :A 5 SER HA : -0.428: 54
: 1396:A 24 PRO 2HD :A 23 VAL HA : -0.409: 4
: 1396:A 38 ALA O :A 42 ARG 1HG : -0.406: 64
#sum2 ::11.46 clashscore : 8.46 clashscore B<40
#summary::1396 atoms:709 atoms B<40:155709 potential dots:9732.0 A^2:16 bumps:6 bumps B<40:362.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 74 GLU 2HG :A 53 ARG 1HH1 : -0.834: 24
: 1396:A 74 GLU 2HG :A 53 ARG NH1 : -0.598: 24
: 1396:A 62 ILE 1HD1 :A 53 ARG 2HG : -0.463: 15
: 1396:A 62 ILE CD1 :A 53 ARG 2HG : -0.402: 15
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.609: 74
: 1396:A 50 ALA 2HB :A 81 LEU 1HD2 : -0.590: 65
: 1396:A 75 GLU 2HG :A 12 ARG 1HB : -0.589: 60
: 1396:A 12 ARG 1HD :A 12 ARG N : -0.416: 12
: 1396:A 14 PHE HE1 :A 75 GLU 2HB : -0.414: 54
: 1396:A 2 MET N :A 2 MET SD : -0.568: 72
: 1396:A 69 SER HA :A 25 ALA 1HB : -0.561: 60
: 1396:A 76 LEU 1HD2 :A 71 LEU 3HD1 : -0.552: 24
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.549: 42
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.522: 72
: 1396:A 82 GLU 2HG :A 84 VAL H : -0.481: 62
: 1396:A 70 TRP CD1 :A 67 ASP 2HB : -0.468: 50
: 1396:A 30 THR HA :A 67 ASP HA : -0.408: 50
: 1396:A 10 ILE HA :A 24 PRO HA : -0.462: 43
: 1396:A 8 LYS HA :A 8 LYS 1HE : -0.456: 72
: 1396:A 68 ILE 2HG2 :A 29 VAL O : -0.441: 44
: 1396:A 31 VAL 3HG2 :A 66 THR O : -0.423: 31
: 1396:A 42 ARG 2HH2 :A 17 ASN 2HB : -0.409: 62
#sum2 ::15.76 clashscore : 10.37 clashscore B<40
#summary::1396 atoms:675 atoms B<40:155813 potential dots:9738.0 A^2:22 bumps:7 bumps B<40:327 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.636: 50
: 1396:A 13 VAL 2HG2 :A 76 LEU 2HD1 : -0.635: 72
: 1396:A 25 ALA 1HB :A 69 SER HA : -0.508: 34
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.490: 11
: 1396:A 15 LEU 2HB :A 16 PRO 1HD : -0.418: 61
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.485: 73
: 1396:A 37 LYS N :A 36 LYS 2HG : -0.475: 73
: 1396:A 50 ALA 2HB :A 81 LEU 1HD2 : -0.464: 3
: 1396:A 86 LEU N :A 86 LEU 2HD2 : -0.434: 63
: 1396:A 22 VAL CG1 :A 10 ILE HB : -0.429: 73
: 1396:A 61 PRO 1HD :A 60 LYS 1HD : -0.410: 63
: 1396:A 68 ILE 2HG1 :A 11 VAL 1HG2 : -0.408: 4
: 1396:A 71 LEU 1HD1 :A 62 ILE 1HG2 : -0.403: 45
: 1396:A 45 ILE HB :A 46 PRO 1HD : -0.403: 63
#sum2 ::10.03 clashscore : 5.45 clashscore B<40
#summary::1396 atoms:734 atoms B<40:155766 potential dots:9735.0 A^2:14 bumps:4 bumps B<40:341 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 13 VAL 1HG2 :A 35 LEU 1HD2 : -0.632: 52
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.586: 12
: 1396:A 32 ARG 1HH2 :A 47 GLU CD : -0.457: 54
: 1396:A 32 ARG 1HG :A 46 PRO 1HB : -0.438: 24
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.582: 35
: 1396:A 15 LEU 2HB :A 16 PRO 1HD : -0.505: 63
: 1396:A 14 PHE HD1 :A 20 ARG 2HG : -0.483: 64
: 1396:A 14 PHE CE2 :A 75 GLU 2HB : -0.442: 43
: 1396:A 80 VAL 3HG2 :A 16 PRO 2HG : -0.439: 75
: 1396:A 19 GLN C :A 20 ARG 1HD : -0.430: 22
: 1396:A 62 ILE 1HD1 :A 53 ARG 2HB : -0.574: 54
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.565: 73
: 1396:A 4 LYS 1HD :A 4 LYS O : -0.557: 34
: 1396:A 36 LYS 1HG :A 33 ASP O : -0.537: 64
: 1396:A 40 MET CE :A 40 MET HA : -0.437: 44
: 1396:A 36 LYS O :A 40 MET 1HB : -0.431: 64
: 1396:A 22 VAL CG1 :A 10 ILE HB : -0.497: 41
: 1396:A 31 VAL 3HG2 :A 66 THR O : -0.488: 74
: 1396:A 69 SER HA :A 25 ALA 1HB : -0.474: 25
: 1396:A 70 TRP CD1 :A 67 ASP 1HB : -0.471: 35
: 1396:A 86 LEU N :A 86 LEU 2HD2 : -0.436: 52
: 1396:A 59 LYS 2HE :A 52 TYR CE2 : -0.411: 65
: 1396:A 84 VAL 3HG1 :A 84 VAL O : -0.408: 71
#sum2 ::16.48 clashscore : 9.54 clashscore B<40
#summary::1396 atoms:734 atoms B<40:155737 potential dots:9734.0 A^2:23 bumps:7 bumps B<40:315.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 52 TYR CE1 :A 79 GLU 2HG : -0.655: 72
: 1396:A 79 GLU 2HG :A 52 TYR HE1 : -0.412: 72
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.648: 70
: 1396:A 64 TRP HE3 :A 32 ARG HA : -0.446: 23
: 1396:A 62 ILE 1HG2 :A 71 LEU 1HD1 : -0.632: 34
: 1396:A 50 ALA 2HB :A 81 LEU 1HD2 : -0.506: 75
: 1396:A 62 ILE 2HD1 :A 62 ILE N : -0.489: 63
: 1396:A 50 ALA O :A 78 VAL HA : -0.482: 15
: 1396:A 49 CYS 2HB :A 78 VAL CG1 : -0.460: 71
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.423: 63
: 1396:A 51 VAL 2HG1 :A 62 ILE 3HD1 : -0.407: 72
: 1396:A 11 VAL 3HG2 :A 25 ALA 2HB : -0.553: 35
: 1396:A 11 VAL 1HG2 :A 68 ILE 2HG1 : -0.450: 35
: 1396:A 11 VAL 2HG2 :A 72 THR HA : -0.424: 35
: 1396:A 25 ALA 3HB :A 9 PRO 1HB : -0.407: 53
: 1396:A 86 LEU 1HD1 :A 45 ILE 3HD1 : -0.501: 72
: 1396:A 70 TRP CD1 :A 67 ASP 1HB : -0.493: 50
: 1396:A 42 ARG NE :A 42 ARG HA : -0.481: 72
: 1396:A 42 ARG CZ :A 42 ARG HA : -0.480: 73
: 1396:A 13 VAL 1HG2 :A 35 LEU 1HD2 : -0.462: 51
: 1396:A 33 ASP HA :A 36 LYS 2HE : -0.454: 63
: 1396:A 59 LYS O :A 61 PRO 2HD : -0.433: 65
: 1396:A 15 LEU 2HB :A 16 PRO 1HD : -0.425: 75
: 1396:A 31 VAL 3HG2 :A 66 THR O : -0.421: 24
#sum2 ::17.19 clashscore : 10.34 clashscore B<40
#summary::1396 atoms:677 atoms B<40:155899 potential dots:9744.0 A^2:24 bumps:7 bumps B<40:317.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.666: 41
: 1396:A 30 THR HB :A 64 TRP O : -0.422: 44
: 1396:A 64 TRP HE3 :A 32 ARG HA : -0.407: 43
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.598: 53
: 1396:A 54 ILE 1HG1 :A 59 LYS 1HG : -0.566: 63
: 1396:A 16 PRO 2HG :A 79 GLU HA : -0.557: 74
: 1396:A 75 GLU 1HG :A 12 ARG 1HB : -0.552: 62
: 1396:A 48 CYS SG :A 82 GLU 1HB : -0.551: 64
: 1396:A 13 VAL 2HG2 :A 76 LEU 2HD1 : -0.538: 74
: 1396:A 62 ILE 1HD1 :A 53 ARG 2HB : -0.527: 42
: 1396:A 38 ALA O :A 42 ARG 1HG : -0.509: 55
: 1396:A 37 LYS NZ :A 37 LYS 2HB : -0.499: 20
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.469: 43
: 1396:A 70 TRP CD1 :A 67 ASP 1HB : -0.451: 74
: 1396:A 68 ILE 3HG2 :A 26 ARG H : -0.438: 21
: 1396:A 50 ALA 2HB :A 81 LEU 1HD2 : -0.430: 73
: 1396:A 58 GLU 2HB :A 60 LYS 2HD : -0.420: 73
: 1396:A 44 LEU 3HD2 :A 86 LEU 1HD2 : -0.409: 64
: 1396:A 7 GLN O :A 7 GLN 1HG : -0.407: 12
#sum2 ::13.61 clashscore : 4.52 clashscore B<40
#summary::1396 atoms:664 atoms B<40:155721 potential dots:9733.0 A^2:19 bumps:3 bumps B<40:361.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.566: 53
: 1396:A 64 TRP HE3 :A 32 ARG HA : -0.469: 4
: 1396:A 32 ARG 1HH2 :A 47 GLU CD : -0.451: 75
: 1396:A 62 ILE 1HD1 :A 53 ARG 1HG : -0.556: 32
: 1396:A 62 ILE 2HD1 :A 62 ILE N : -0.520: 13
: 1396:A 62 ILE 1HG2 :A 71 LEU 1HD1 : -0.510: 60
: 1396:A 10 ILE 2HD1 :A 22 VAL 1HG1 : -0.551: 72
: 1396:A 23 VAL 3HG2 :A 68 ILE 1HD1 : -0.501: 44
: 1396:A 68 ILE 2HG2 :A 29 VAL O : -0.471: 73
: 1396:A 24 PRO 2HD :A 23 VAL HA : -0.428: 52
: 1396:A 10 ILE HA :A 24 PRO HA : -0.414: 33
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.531: 74
: 1396:A 59 LYS 1HG :A 54 ILE 1HG1 : -0.495: 73
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.483: 55
: 1396:A 19 GLN 2HG :A 42 ARG CZ : -0.458: 74
: 1396:A 36 LYS 1HD :A 33 ASP HA : -0.472: 73
: 1396:A 75 GLU HA :A 12 ARG O : -0.466: 34
: 1396:A 8 LYS 2HG :A 6 PRO 1HB : -0.439: 22
: 1396:A 9 PRO 1HD :A 8 LYS 2HB : -0.433: 4
: 1396:A 50 ALA 2HB :A 81 LEU 1HD2 : -0.438: 60
: 1396:A 52 TYR HA :A 61 PRO HA : -0.432: 70
: 1396:A 61 PRO 2HD :A 60 LYS HA : -0.401: 71
: 1396:A 30 THR HA :A 67 ASP HA : -0.429: 55
: 1396:A 70 TRP CD1 :A 67 ASP 1HB : -0.408: 73
: 1396:A 20 ARG N :A 20 ARG 1HD : -0.417: 22
: 1396:A 76 LEU 2HD1 :A 13 VAL 2HG2 : -0.411: 61
: 1396:A 11 VAL 3HG2 :A 25 ALA 2HB : -0.401: 62
#sum2 ::19.34 clashscore : 11.07 clashscore B<40
#summary::1396 atoms:723 atoms B<40:155846 potential dots:9740.0 A^2:27 bumps:8 bumps B<40:310.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 55 GLN O :A 58 GLU 1HG : -0.682: 73
: 1396:A 58 GLU O :A 54 ILE HA : -0.539: 33
: 1396:A 54 ILE 1HG1 :A 59 LYS 1HG : -0.420: 72
: 1396:A 4 LYS 1HE :A 4 LYS HA : -0.664: 52
: 1396:A 6 PRO 2HD :A 4 LYS O : -0.463: 62
: 1396:A 6 PRO 1HB :A 8 LYS 2HE : -0.421: 42
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.639: 53
: 1396:A 13 VAL 2HG2 :A 76 LEU 2HD1 : -0.629: 10
: 1396:A 13 VAL 1HG2 :A 35 LEU 1HD2 : -0.425: 61
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.607: 74
: 1396:A 64 TRP HE3 :A 32 ARG HA : -0.422: 53
: 1396:A 39 LEU 2HB :A 44 LEU O : -0.484: 43
: 1396:A 44 LEU 2HD2 :A 49 CYS SG : -0.412: 74
: 1396:A 86 LEU O :A 86 LEU 2HD1 : -0.432: 42
: 1396:A 11 VAL 3HG2 :A 25 ALA 2HB : -0.428: 41
: 1396:A 36 LYS 3HZ :A 36 LYS 2HB : -0.419: 72
: 1396:A 36 LYS 2HB :A 36 LYS NZ : -0.416: 72
: 1396:A 42 ARG 2HG :A 15 LEU 3HD1 : -0.408: 46
: 1396:A 31 VAL 3HG2 :A 66 THR O : -0.406: 70
#sum2 ::13.61 clashscore : 2.93 clashscore B<40
#summary::1396 atoms:682 atoms B<40:155763 potential dots:9735.0 A^2:19 bumps:2 bumps B<40:326.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 11 VAL 2HG2 :A 72 THR HA : -0.586: 72
: 1396:A 53 ARG 1HG :A 60 LYS 2HB : -0.585: 32
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.570: 25
: 1396:A 50 ALA O :A 78 VAL HA : -0.413: 62
: 1396:A 36 LYS 1HE :A 33 ASP HA : -0.558: 70
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.545: 44
: 1396:A 36 LYS 1HG :A 33 ASP O : -0.540: 42
: 1396:A 32 ARG O :A 36 LYS 2HB : -0.489: 25
: 1396:A 36 LYS 2HB :A 36 LYS NZ : -0.446: 53
: 1396:A 33 ASP HA :A 36 LYS CE : -0.424: 70
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.551: 31
: 1396:A 13 VAL 1HG2 :A 35 LEU 1HD2 : -0.536: 15
: 1396:A 21 THR 3HG2 :A 13 VAL HB : -0.462: 65
: 1396:A 80 VAL 3HG1 :A 48 CYS SG : -0.529: 54
: 1396:A 71 LEU 1HD1 :A 62 ILE 1HG2 : -0.502: 12
: 1396:A 4 LYS 1HB :A 4 LYS NZ : -0.485: 41
: 1396:A 54 ILE 1HG1 :A 59 LYS 1HG : -0.467: 31
: 1396:A 75 GLU 1HG :A 12 ARG 1HB : -0.457: 63
: 1396:A 86 LEU N :A 86 LEU 2HD1 : -0.448: 64
: 1396:A 17 ASN 1HB :A 16 PRO O : -0.428: 63
#sum2 ::14.33 clashscore : 10.06 clashscore B<40
#summary::1396 atoms:696 atoms B<40:155782 potential dots:9736.0 A^2:20 bumps:7 bumps B<40:280.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 8 LYS 2HD :A 8 LYS H : -0.726: 23
: 1396:A 71 LEU 2HD1 :A 68 ILE 2HD1 : -0.676: 42
: 1396:A 13 VAL 1HG2 :A 35 LEU 1HD2 : -0.593: 55
: 1396:A 64 TRP CH2 :A 39 LEU 1HD1 : -0.580: 21
: 1396:A 64 TRP HA :A 31 VAL HB : -0.503: 72
: 1396:A 31 VAL 3HG2 :A 66 THR O : -0.438: 71
: 1396:A 21 THR 3HG2 :A 13 VAL HB : -0.425: 75
: 1396:A 49 CYS SG :A 44 LEU 2HB : -0.425: 74
: 1396:A 13 VAL 1HG2 :A 35 LEU CD2 : -0.423: 55
: 1396:A 39 LEU 2HB :A 44 LEU 1HB : -0.420: 20
: 1396:A 64 TRP HZ3 :A 35 LEU 1HB : -0.409: 71
: 1396:A 64 TRP HE3 :A 32 ARG HA : -0.407: 61
: 1396:A 76 LEU 2HD1 :A 13 VAL 2HG2 : -0.407: 33
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.577: 55
: 1396:A 51 VAL 2HG1 :A 62 ILE 2HD1 : -0.551: 35
: 1396:A 33 ASP HA :A 36 LYS 2HE : -0.568: 73
: 1396:A 12 ARG 1HD :A 75 GLU 1HG : -0.548: 54
: 1396:A 12 ARG 1HB :A 75 GLU 1HG : -0.404: 73
: 1396:A 11 VAL 3HG2 :A 25 ALA 2HB : -0.506: 54
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.506: 74
: 1396:A 50 ALA 2HB :A 81 LEU 1HD2 : -0.505: 30
: 1396:A 59 LYS 2HE :A 52 TYR CE2 : -0.473: 14
: 1396:A 59 LYS 1HG :A 54 ILE 1HG1 : -0.406: 41
: 1396:A 67 ASP 1HB :A 70 TRP HD1 : -0.472: 33
: 1396:A 70 TRP CD1 :A 67 ASP 1HB : -0.425: 33
: 1396:A 86 LEU N :A 86 LEU 3HD2 : -0.440: 22
: 1396:A 55 GLN 2HG :A 55 GLN O : -0.439: 21
: 1396:A 85 PRO 2HD :A 84 VAL HA : -0.407: 43
#sum2 ::20.06 clashscore : 16.32 clashscore B<40
#summary::1396 atoms:674 atoms B<40:155990 potential dots:9749.0 A^2:28 bumps:11 bumps B<40:281 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 13 VAL 1HG2 :A 35 LEU 1HD2 : -0.706: 62
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.512: 34
: 1396:A 35 LEU 1HB :A 64 TRP HZ3 : -0.411: 44
: 1396:A 64 TRP HE3 :A 32 ARG HA : -0.411: 42
: 1396:A 71 LEU 3HD1 :A 76 LEU 1HD2 : -0.654: 43
: 1396:A 71 LEU 3HD1 :A 76 LEU CD2 : -0.417: 43
: 1396:A 20 ARG HA :A 14 PHE HA : -0.560: 71
: 1396:A 62 ILE 1HD1 :A 53 ARG 1HG : -0.559: 61
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.531: 40
: 1396:A 16 PRO 2HB :A 79 GLU HA : -0.490: 54
: 1396:A 40 MET SD :A 40 MET C : -0.470: 23
: 1396:A 12 ARG 1HD :A 75 GLU 1HG : -0.446: 71
: 1396:A 50 ALA 2HB :A 81 LEU 1HD2 : -0.436: 73
: 1396:A 4 LYS 2HB :A 4 LYS NZ : -0.434: 43
: 1396:A 67 ASP HA :A 30 THR HA : -0.431: 64
: 1396:A 54 ILE 1HG1 :A 59 LYS 1HG : -0.423: 14
: 1396:A 31 VAL 3HG2 :A 66 THR O : -0.419: 13
#sum2 ::12.18 clashscore : 5.54 clashscore B<40
#summary::1396 atoms:722 atoms B<40:155825 potential dots:9739.0 A^2:17 bumps:4 bumps B<40:349 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 13 VAL 2HG2 :A 76 LEU 2HD1 : -0.620: 52
: 1396:A 71 LEU 3HD1 :A 76 LEU 1HD2 : -0.525: 22
: 1396:A 71 LEU 3HD1 :A 76 LEU CD2 : -0.422: 22
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.547: 44
: 1396:A 15 LEU 2HB :A 16 PRO 1HD : -0.499: 45
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.538: 75
: 1396:A 64 TRP HE3 :A 32 ARG HA : -0.429: 65
: 1396:A 64 TRP CH2 :A 39 LEU 1HD1 : -0.411: 20
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.526: 64
: 1396:A 50 ALA 2HB :A 81 LEU 1HD2 : -0.480: 46
: 1396:A 78 VAL CG1 :A 49 CYS 2HB : -0.463: 44
: 1396:A 50 ALA O :A 78 VAL HA : -0.461: 55
: 1396:A 29 VAL HB :A 26 ARG 2HG : -0.510: 33
: 1396:A 26 ARG 1HH2 :A 24 PRO 1HG : -0.509: 22
: 1396:A 68 ILE 3HG2 :A 26 ARG H : -0.435: 64
: 1396:A 2 MET SD :A 2 MET N : -0.425: 24
#sum2 ::11.46 clashscore : 8.56 clashscore B<40
#summary::1396 atoms:701 atoms B<40:155729 potential dots:9733.0 A^2:16 bumps:6 bumps B<40:333.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 12 ARG 1HG :A 22 VAL 2HG2 : -0.777: 43
: 1396:A 75 GLU HA :A 12 ARG O : -0.465: 33
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.581: 41
: 1396:A 64 TRP HE3 :A 32 ARG HA : -0.422: 71
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.571: 54
: 1396:A 11 VAL 3HG2 :A 25 ALA 2HB : -0.495: 60
: 1396:A 4 LYS H :A 4 LYS 2HD : -0.491: 63
: 1396:A 42 ARG NH2 :A 17 ASN 2HD2 : -0.488: 62
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.482: 4
: 1396:A 62 ILE 1HD1 :A 53 ARG 1HG : -0.473: 43
: 1396:A 10 ILE 2HG2 :A 24 PRO HA : -0.472: 74
: 1396:A 26 ARG 2HG :A 29 VAL 1HG2 : -0.462: 73
: 1396:A 29 VAL CG2 :A 26 ARG 2HG : -0.460: 73
: 1396:A 24 PRO O :A 26 ARG NH1 : -0.410: 40
: 1396:A 59 LYS 1HG :A 54 ILE 1HG1 : -0.461: 63
: 1396:A 50 ALA 2HB :A 81 LEU 1HD2 : -0.457: 52
: 1396:A 79 GLU 1HG :A 52 TYR HE1 : -0.455: 21
: 1396:A 36 LYS 1HD :A 33 ASP HA : -0.450: 52
: 1396:A 31 VAL 3HG2 :A 66 THR O : -0.437: 55
: 1396:A 20 ARG N :A 20 ARG 1HD : -0.436: 71
: 1396:A 13 VAL 1HG2 :A 35 LEU 1HD2 : -0.423: 71
#sum2 ::15.04 clashscore : 4.26 clashscore B<40
#summary::1396 atoms:705 atoms B<40:155861 potential dots:9741.0 A^2:21 bumps:3 bumps B<40:337.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 13 VAL 1HG2 :A 35 LEU 1HD2 : -0.619: 41
: 1396:A 76 LEU 2HD1 :A 13 VAL 2HG2 : -0.498: 41
: 1396:A 21 THR 3HG2 :A 13 VAL HB : -0.439: 44
: 1396:A 78 VAL HB :A 16 PRO 2HD : -0.606: 52
: 1396:A 50 ALA 2HB :A 81 LEU 1HD2 : -0.539: 53
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.526: 45
: 1396:A 50 ALA O :A 78 VAL HA : -0.516: 54
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.589: 71
: 1396:A 64 TRP CH2 :A 39 LEU 1HD1 : -0.410: 44
: 1396:A 12 ARG 1HD :A 75 GLU 1HG : -0.521: 32
: 1396:A 12 ARG 1HB :A 75 GLU 1HG : -0.496: 53
: 1396:A 59 LYS 1HG :A 54 ILE 1HG1 : -0.519: 73
: 1396:A 11 VAL 3HG2 :A 25 ALA 2HB : -0.517: 71
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.505: 74
: 1396:A 48 CYS SG :A 80 VAL 3HG1 : -0.501: 73
: 1396:A 48 CYS O :A 48 CYS SG : -0.409: 73
: 1396:A 38 ALA O :A 42 ARG 1HG : -0.492: 72
: 1396:A 79 GLU 2HG :A 52 TYR HE2 : -0.436: 24
: 1396:A 36 LYS 1HG :A 33 ASP O : -0.425: 72
: 1396:A 53 ARG 1HH1 :A 53 ARG 2HD : -0.418: 74
: 1396:A 55 GLN 1HG :A 56 ASP OD2 : -0.413: 53
: 1396:A 70 TRP CD1 :A 67 ASP 1HB : -0.401: 11
: 1396:A 66 THR O :A 31 VAL 3HG2 : -0.400: 73
#sum2 ::16.48 clashscore : 4.30 clashscore B<40
#summary::1396 atoms:698 atoms B<40:155772 potential dots:9736.0 A^2:23 bumps:3 bumps B<40:305.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1396:A 36 LYS 2HE :A 33 ASP HA : -0.588: 23
: 1396:A 32 ARG 1HB :A 64 TRP 2HB : -0.578: 53
: 1396:A 32 ARG HA :A 64 TRP HE3 : -0.416: 41
: 1396:A 51 VAL 2HG2 :A 78 VAL 2HG2 : -0.568: 34
: 1396:A 50 ALA 2HB :A 81 LEU 1HD2 : -0.435: 60
: 1396:A 50 ALA O :A 78 VAL HA : -0.415: 45
: 1396:A 19 GLN 1HB :A 15 LEU 1HB : -0.547: 30
: 1396:A 15 LEU 2HB :A 16 PRO 1HD : -0.525: 71
: 1396:A 71 LEU 3HD1 :A 76 LEU 1HD2 : -0.527: 66
: 1396:A 13 VAL 2HG2 :A 76 LEU 2HD1 : -0.515: 54
: 1396:A 71 LEU 1HD1 :A 62 ILE 1HG2 : -0.503: 53
: 1396:A 55 GLN 2HB :A 60 LYS 1HD : -0.497: 62
: 1396:A 60 LYS 1HE :A 55 GLN O : -0.431: 55
: 1396:A 67 ASP HA :A 30 THR HA : -0.479: 52
: 1396:A 70 TRP CD1 :A 67 ASP 1HB : -0.417: 52
: 1396:A 4 LYS O :A 4 LYS 2HG : -0.475: 71
: 1396:A 31 VAL 3HG2 :A 66 THR O : -0.473: 61
: 1396:A 25 ALA 3HB :A 9 PRO 1HB : -0.425: 74
#sum2 ::12.89 clashscore : 4.62 clashscore B<40
#summary::1396 atoms:650 atoms B<40:155864 potential dots:9742.0 A^2:18 bumps:3 bumps B<40:305.5 score
Output from PDB validation software
Summary from PDB validation
May. 10, 09:58:52 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
Chain Atom Res Seq Chain Atom Res Seq Mol_ID Distance
-------------------------------------------------------------------------
A 1HH1 ARG 53 - A 2HG GLU 74 7 Dist = 1.32
A 1HG ARG 12 - A 2HG2 VAL 22 18 Dist = 1.60
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.009 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.6 degrees.
All covalent bond angles lie within a 6.0*RMSD range about the
standard dictionary values.
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
MET( 1 A -94 )
GLY( 1 A -93 )
HIS( 1 A -92 )
HIS( 1 A -91 )
HIS( 1 A -90 )
HIS( 1 A -89 )
HIS( 1 A -88 )
HIS( 1 A -87 )
SER( 1 A -86 )
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 )
MET( 2 A -94 )
GLY( 2 A -93 )
HIS( 2 A -92 )
HIS( 2 A -91 )
HIS( 2 A -90 )
HIS( 2 A -89 )
HIS( 2 A -88 )
HIS( 2 A -87 )
SER( 2 A -86 )
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 )
MET( 3 A -94 )
GLY( 3 A -93 )
HIS( 3 A -92 )
HIS( 3 A -91 )
HIS( 3 A -90 )
HIS( 3 A -89 )
HIS( 3 A -88 )
HIS( 3 A -87 )
SER( 3 A -86 )
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 )
MET( 4 A -94 )
GLY( 4 A -93 )
HIS( 4 A -92 )
HIS( 4 A -91 )
HIS( 4 A -90 )
HIS( 4 A -89 )
HIS( 4 A -88 )
HIS( 4 A -87 )
SER( 4 A -86 )
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 )
MET( 5 A -94 )
GLY( 5 A -93 )
HIS( 5 A -92 )
HIS( 5 A -91 )
HIS( 5 A -90 )
HIS( 5 A -89 )
HIS( 5 A -88 )
HIS( 5 A -87 )
SER( 5 A -86 )
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 )
MET( 6 A -94 )
GLY( 6 A -93 )
HIS( 6 A -92 )
HIS( 6 A -91 )
HIS( 6 A -90 )
HIS( 6 A -89 )
HIS( 6 A -88 )
HIS( 6 A -87 )
SER( 6 A -86 )
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 )
MET( 7 A -94 )
GLY( 7 A -93 )
HIS( 7 A -92 )
HIS( 7 A -91 )
HIS( 7 A -90 )
HIS( 7 A -89 )
HIS( 7 A -88 )
HIS( 7 A -87 )
SER( 7 A -86 )
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 )
MET( 8 A -94 )
GLY( 8 A -93 )
HIS( 8 A -92 )
HIS( 8 A -91 )
HIS( 8 A -90 )
HIS( 8 A -89 )
HIS( 8 A -88 )
HIS( 8 A -87 )
SER( 8 A -86 )
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 )
MET( 9 A -94 )
GLY( 9 A -93 )
HIS( 9 A -92 )
HIS( 9 A -91 )
HIS( 9 A -90 )
HIS( 9 A -89 )
HIS( 9 A -88 )
HIS( 9 A -87 )
SER( 9 A -86 )
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 )
MET( 10 A -94 )
GLY( 10 A -93 )
HIS( 10 A -92 )
HIS( 10 A -91 )
HIS( 10 A -90 )
HIS( 10 A -89 )
HIS( 10 A -88 )
HIS( 10 A -87 )
SER( 10 A -86 )
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 )
MET( 11 A -94 )
GLY( 11 A -93 )
HIS( 11 A -92 )
HIS( 11 A -91 )
HIS( 11 A -90 )
HIS( 11 A -89 )
HIS( 11 A -88 )
HIS( 11 A -87 )
SER( 11 A -86 )
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 )
MET( 12 A -94 )
GLY( 12 A -93 )
HIS( 12 A -92 )
HIS( 12 A -91 )
HIS( 12 A -90 )
HIS( 12 A -89 )
HIS( 12 A -88 )
HIS( 12 A -87 )
SER( 12 A -86 )
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 )
MET( 13 A -94 )
GLY( 13 A -93 )
HIS( 13 A -92 )
HIS( 13 A -91 )
HIS( 13 A -90 )
HIS( 13 A -89 )
HIS( 13 A -88 )
HIS( 13 A -87 )
SER( 13 A -86 )
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 )
MET( 14 A -94 )
GLY( 14 A -93 )
HIS( 14 A -92 )
HIS( 14 A -91 )
HIS( 14 A -90 )
HIS( 14 A -89 )
HIS( 14 A -88 )
HIS( 14 A -87 )
SER( 14 A -86 )
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 )
MET( 15 A -94 )
GLY( 15 A -93 )
HIS( 15 A -92 )
HIS( 15 A -91 )
HIS( 15 A -90 )
HIS( 15 A -89 )
HIS( 15 A -88 )
HIS( 15 A -87 )
SER( 15 A -86 )
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 )
MET( 16 A -94 )
GLY( 16 A -93 )
HIS( 16 A -92 )
HIS( 16 A -91 )
HIS( 16 A -90 )
HIS( 16 A -89 )
HIS( 16 A -88 )
HIS( 16 A -87 )
SER( 16 A -86 )
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 )
MET( 17 A -94 )
GLY( 17 A -93 )
HIS( 17 A -92 )
HIS( 17 A -91 )
HIS( 17 A -90 )
HIS( 17 A -89 )
HIS( 17 A -88 )
HIS( 17 A -87 )
SER( 17 A -86 )
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 )
MET( 18 A -94 )
GLY( 18 A -93 )
HIS( 18 A -92 )
HIS( 18 A -91 )
HIS( 18 A -90 )
HIS( 18 A -89 )
HIS( 18 A -88 )
HIS( 18 A -87 )
SER( 18 A -86 )
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 )
MET( 19 A -94 )
GLY( 19 A -93 )
HIS( 19 A -92 )
HIS( 19 A -91 )
HIS( 19 A -90 )
HIS( 19 A -89 )
HIS( 19 A -88 )
HIS( 19 A -87 )
SER( 19 A -86 )
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 )
MET( 20 A -94 )
GLY( 20 A -93 )
HIS( 20 A -92 )
HIS( 20 A -91 )
HIS( 20 A -90 )
HIS( 20 A -89 )
HIS( 20 A -88 )
HIS( 20 A -87 )
SER( 20 A -86 )
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: MET GLY HIS HIS HIS HIS HIS HIS SER HIS MET PRO LYS SER PRO
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: GLN LYS PRO ILE VAL ARG VAL PHE LEU PRO ASN LYS GLN ARG THR
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: VAL VAL PRO ALA ARG CYS GLY VAL THR VAL ARG ASP SER LEU LYS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: LYS ALA LEU MET MET ARG GLY LEU ILE PRO GLU CYS CYS ALA VAL
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: TYR ARG ILE GLN ASP GLY GLU LYS LYS PRO ILE GLY TRP ASP THR
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: ASP ILE SER TRP LEU THR GLY GLU GLU LEU HIS VAL GLU VAL LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: GLU ASN VAL PRO LEU HIS MET PRO LYS SER PRO GLN LYS PRO ILE
COORDS: ... ... ... ... ... HIS MET PRO LYS SER PRO GLN LYS PRO ILE
1 10
106 120
SEQRES: VAL ARG VAL PHE LEU PRO ASN LYS GLN ARG THR VAL VAL PRO ALA
COORDS: VAL ARG VAL PHE LEU PRO ASN LYS GLN ARG THR VAL VAL PRO ALA
11 25
121 135
SEQRES: ARG CYS GLY VAL THR VAL ARG ASP SER LEU LYS LYS ALA LEU MET
COORDS: ARG CYS GLY VAL THR VAL ARG ASP SER LEU LYS LYS ALA LEU MET
26 40
136 150
SEQRES: MET ARG GLY LEU ILE PRO GLU CYS CYS ALA VAL TYR ARG ILE GLN
COORDS: MET ARG GLY LEU ILE PRO GLU CYS CYS ALA VAL TYR ARG ILE GLN
41 55
151 165
SEQRES: ASP GLY GLU LYS LYS PRO ILE GLY TRP ASP THR ASP ILE SER TRP
COORDS: ASP GLY GLU LYS LYS PRO ILE GLY TRP ASP THR ASP ILE SER TRP
56 70
166 180
SEQRES: LEU THR GLY GLU GLU LEU HIS VAL GLU VAL LEU GLU ASN VAL PRO
COORDS: LEU THR GLY GLU GLU LEU HIS VAL GLU VAL LEU GLU ASN VAL PRO
71 85
181
SEQRES: LEU
COORDS: LEU
86
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
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
GLU( 1 A 79) HE2
GLU( 1 A 82) 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
GLU( 2 A 79) HE2
GLU( 2 A 82) 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
GLU( 3 A 79) HE2
GLU( 3 A 82) 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
GLU( 4 A 79) HE2
GLU( 4 A 82) 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
GLU( 5 A 79) HE2
GLU( 5 A 82) 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
GLU( 6 A 79) HE2
GLU( 6 A 82) HE2
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
GLU( 7 A 79) HE2
GLU( 7 A 82) 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
GLU( 8 A 79) HE2
GLU( 8 A 82) HE2
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
GLU( 9 A 79) HE2
GLU( 9 A 82) HE2
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
GLU( 10 A 79) HE2
GLU( 10 A 82) 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
GLU( 11 A 79) HE2
GLU( 11 A 82) HE2
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
GLU( 12 A 79) HE2
GLU( 12 A 82) 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
GLU( 13 A 79) HE2
GLU( 13 A 82) 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
GLU( 14 A 79) HE2
GLU( 14 A 82) 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
GLU( 15 A 79) HE2
GLU( 15 A 82) 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
GLU( 16 A 79) HE2
GLU( 16 A 82) 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
GLU( 17 A 79) HE2
GLU( 17 A 82) 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
GLU( 18 A 79) HE2
GLU( 18 A 82) HE2
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
GLU( 19 A 79) HE2
GLU( 19 A 82) HE2
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
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
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: THR CHNID: A SSEQ: 176) in Token 'HELIX' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: GLY CHNID: A SSEQ: 189) in Token 'HELIX' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: ILE CHNID: A SSEQ: 191) in Token 'HELIX' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: GLU CHNID: A SSEQ: 193) in Token 'HELIX' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: ASP CHNID: A SSEQ: 213) in Token 'HELIX' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: THR CHNID: A SSEQ: 218) in Token 'HELIX' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: GLN CHNID: A SSEQ: 165) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: PRO CHNID: A SSEQ: 170) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: ILE CHNID: A SSEQ: 156) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: LEU CHNID: A SSEQ: 161) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: VAL CHNID: A SSEQ: 159) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: THR CHNID: A SSEQ: 167) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: GLU CHNID: A SSEQ: 221) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: VAL CHNID: A SSEQ: 226) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: LEU CHNID: A SSEQ: 222) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: PHE CHNID: A SSEQ: 160) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: CYS CHNID: A SSEQ: 195) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: GLN CHNID: A SSEQ: 201) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: ALA CHNID: A SSEQ: 196) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: GLU CHNID: A SSEQ: 225) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: GLU CHNID: A SSEQ: 204) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (RES: ILE CHNID: A SSEQ: 208) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: ILE CHNID: A SSEQ: 208) in Token 'SHEET' can not be found in coordinates
HR4694F_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: VAL CHNID: A SSEQ: 197) in Token 'SHEET' can not be found in coordinates