Detailed results of PFR193A_NMR_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 2719
# INTRA-RESIDUE RESTRAINTS (I=J) : 523
# SEQUENTIAL RESTRAINTS (I-J)=1 : 686
# BACKBONE-BACKBONE : 167
# BACKBONE-SIDE CHAIN : 137
# SIDE CHAIN-SIDE CHAIN : 382
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 271
# BACKBONE-BACKBONE : 25
# BACKBONE-SIDE CHAIN : 32
# SIDE CHAIN-SIDE CHAIN : 214
# LONG RANGE RESTRAINTS (I-J)>=5 : 1239
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 2719
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 1 2.5 0.0 2.5 0.0 0.0
GLU 2 1 9.0 2.0 0.0 7.0 0.0
PHE 3 3 23.0 7.5 2.5 13.0 0.0
PRO 4 0 29.5 9.5 1.5 18.5 0.0
ASP 5 0 23.5 6.0 0.5 17.0 0.0
LEU 6 11 29.5 6.0 1.5 22.0 0.0
THR 7 3 26.0 10.0 1.5 14.5 0.0
VAL 8 2 29.0 10.5 0.5 18.0 0.0
GLU 9 2 21.0 8.0 1.5 11.5 0.0
ILE 10 12 33.0 6.5 1.0 25.5 0.0
LYS 11 18 12.5 6.5 0.5 5.5 0.0
GLY 12 0 13.5 7.5 0.5 5.5 0.0
PRO 13 0 21.0 6.0 5.0 10.0 0.0
ASP 14 2 14.0 6.5 1.0 6.5 0.0
VAL 15 5 18.0 8.0 2.0 8.0 0.0
VAL 16 4 27.0 8.0 6.0 13.0 0.0
GLY 17 0 16.0 7.5 5.5 3.0 0.0
VAL 18 5 31.5 10.0 2.0 19.5 0.0
ASN 19 4 16.5 9.0 0.0 7.5 0.0
LYS 20 18 19.0 7.5 8.5 3.0 0.0
LEU 21 12 20.5 10.0 2.0 8.5 0.0
ALA 22 1 20.0 7.0 2.0 11.0 0.0
GLU 23 6 18.0 6.5 2.0 9.5 0.0
TYR 24 6 39.0 7.0 2.0 30.0 0.0
GLU 25 5 20.0 5.0 1.0 14.0 0.0
VAL 26 5 25.5 4.0 0.0 21.5 0.0
HIS 27 3 19.5 4.0 1.0 14.5 0.0
VAL 28 2 22.0 7.5 0.0 14.5 0.0
LYS 29 11 28.0 8.5 4.5 15.0 0.0
ASN 30 6 34.5 6.5 2.0 26.0 0.0
LEU 31 9 22.0 5.5 5.0 11.5 0.0
GLY 32 0 11.5 3.0 3.5 5.0 0.0
GLY 33 0 9.0 3.0 0.5 5.5 0.0
ILE 34 10 33.0 7.0 3.5 22.5 0.0
GLY 35 0 17.5 6.0 0.0 11.5 0.0
VAL 36 5 23.5 6.0 4.5 13.0 0.0
PRO 37 0 12.5 9.5 0.5 2.5 0.0
SER 38 1 10.0 7.5 2.5 0.0 0.0
THR 39 2 16.0 6.5 2.5 7.0 0.0
LYS 40 16 17.0 8.0 0.0 9.0 0.0
VAL 41 5 24.0 6.5 0.0 17.5 0.0
ARG 42 1 18.5 5.5 1.0 12.0 0.0
VAL 43 5 29.5 6.5 1.5 21.5 0.0
TYR 44 3 32.0 6.5 4.5 21.0 0.0
ILE 45 11 30.0 8.0 3.0 19.0 0.0
ASN 46 4 12.0 5.0 0.0 7.0 0.0
GLY 47 0 2.0 1.0 1.0 0.0 0.0
THR 48 3 8.5 4.5 4.0 0.0 0.0
LEU 49 12 27.0 8.5 6.0 12.5 0.0
TYR 50 3 29.5 11.0 0.5 18.0 0.0
LYS 51 12 26.5 12.0 10.0 4.5 0.0
ASN 52 3 19.0 8.5 3.5 7.0 0.0
TRP 53 8 41.0 6.0 11.0 24.0 0.0
THR 54 3 11.0 7.0 0.0 4.0 0.0
VAL 55 4 25.5 8.5 3.5 13.5 0.0
SER 56 1 11.0 7.5 0.0 3.5 0.0
LEU 57 9 38.5 6.5 5.5 26.5 0.0
GLY 58 0 17.0 7.0 5.5 4.5 0.0
PRO 59 0 21.5 6.0 0.5 15.0 0.0
LYS 60 17 10.5 5.0 0.0 5.5 0.0
GLU 61 7 23.5 6.0 12.5 5.0 0.0
GLU 62 7 18.0 7.5 1.5 9.0 0.0
LYS 63 13 31.0 8.5 7.0 15.5 0.0
VAL 64 5 20.5 8.5 2.0 10.0 0.0
LEU 65 9 33.5 7.5 5.5 20.5 0.0
THR 66 3 17.5 6.0 0.5 11.0 0.0
PHE 67 3 32.0 5.5 1.5 25.0 0.0
SER 68 1 17.0 4.5 0.0 12.5 0.0
TRP 69 2 31.5 4.0 5.0 22.5 0.0
THR 70 3 17.5 6.0 2.0 9.5 0.0
PRO 71 0 22.5 4.0 4.5 14.0 0.0
THR 72 4 10.5 1.5 2.0 7.0 0.0
GLN 73 8 10.0 5.0 2.0 3.0 0.0
GLU 74 7 28.5 8.0 2.0 18.5 0.0
GLY 75 0 13.0 6.5 1.5 5.0 0.0
MET 76 10 12.5 5.5 0.0 7.0 0.0
TYR 77 3 35.0 6.0 4.5 24.5 0.0
ARG 78 16 17.0 5.5 1.0 10.5 0.0
ILE 79 9 33.5 6.0 0.5 27.0 0.0
ASN 80 3 26.0 6.5 2.5 17.0 0.0
ALA 81 1 21.5 5.0 0.5 16.0 0.0
THR 82 3 25.0 4.5 8.5 12.0 0.0
VAL 83 4 26.5 7.0 1.0 18.5 0.0
ASP 84 0 18.0 7.0 1.5 9.5 0.0
GLU 85 4 14.5 4.5 8.5 1.5 0.0
GLU 86 7 6.0 3.0 3.0 0.0 0.0
ASN 87 2 5.0 2.5 2.5 0.0 0.0
THR 88 2 7.0 4.0 3.0 0.0 0.0
VAL 89 7 14.0 5.5 3.0 5.5 0.0
VAL 90 5 10.5 8.0 0.0 2.5 0.0
GLU 91 6 21.0 9.0 4.5 7.5 0.0
LEU 92 7 22.0 7.0 0.0 15.0 0.0
ASN 93 7 10.5 3.0 6.0 1.5 0.0
GLU 94 1 2.0 0.5 1.5 0.0 0.0
ASN 95 6 3.5 2.5 1.0 0.0 0.0
ASN 96 1 11.5 2.5 4.5 4.5 0.0
ASN 97 6 17.5 5.0 1.5 11.0 0.0
VAL 98 5 23.0 8.5 2.0 12.5 0.0
ALA 99 1 18.5 7.5 0.0 11.0 0.0
THR 100 3 17.5 6.0 1.0 10.5 0.0
PHE 101 1 29.0 6.5 2.0 20.5 0.0
ASP 102 3 11.0 8.0 0.5 2.5 0.0
VAL 103 5 35.0 9.0 3.5 22.5 0.0
SER 104 3 23.0 9.0 1.0 13.0 0.0
VAL 105 5 37.0 7.0 1.5 28.5 0.0
VAL 106 4 20.0 7.5 4.0 8.5 0.0
LEU 107 9 20.0 7.5 0.0 12.5 0.0
GLU 108 7 7.0 3.0 3.0 1.0 0.0
# TOTAL 523 2196.0 686.0 271.0 1239.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 2719.0
List of conformationally-resticting NOE constraints
assign ((resid 10 and name HN )) ( (resid 10 and name HB )) 3.38 1.58 0.34
assign ((resid 10 and name HN )) ( (resid 10 and name HG11 )) 3.73 1.93 0.37
assign ((resid 15 and name HN )) ( (resid 15 and name HB )) 3.16 1.36 0.32
assign ((resid 18 and name HN )) ( (resid 18 and name HB )) 2.99 1.19 0.30
assign ((resid 22 and name HN )) ( (resid 22 and name HB* )) 3.32 1.52 0.33
assign ((resid 26 and name HN )) ( (resid 26 and name HB )) 3.52 1.72 0.35
assign ((resid 34 and name HN )) ( (resid 34 and name HB )) 3.49 1.69 0.35
assign ((resid 36 and name HN )) ( (resid 36 and name HB )) 3.44 1.64 0.34
assign ((resid 41 and name HN )) ( (resid 41 and name HB )) 3.69 1.89 0.37
assign ((resid 43 and name HN )) ( (resid 43 and name HB )) 3.42 1.62 0.34
assign ((resid 45 and name HN )) ( (resid 45 and name HB )) 3.51 1.71 0.35
assign ((resid 48 and name HN )) ( (resid 48 and name HB )) 3.05 1.25 0.31
assign ((resid 54 and name HN )) ( (resid 54 and name HB )) 3.25 1.45 0.33
assign ((resid 64 and name HN )) ( (resid 64 and name HB )) 3.13 1.33 0.31
assign ((resid 66 and name HN )) ( (resid 66 and name HB )) 3.78 1.98 0.38
assign ((resid 72 and name HN )) ( (resid 72 and name HB )) 3.85 2.05 0.38
assign ((resid 79 and name HN )) ( (resid 79 and name HB )) 3.69 1.89 0.37
assign ((resid 81 and name HN )) ( (resid 81 and name HB* )) 3.34 1.54 0.33
assign ((resid 89 and name HN )) ( (resid 89 and name HB )) 3.47 1.67 0.35
assign ((resid 90 and name HN )) ( (resid 90 and name HB )) 3.20 1.40 0.32
assign ((resid 98 and name HN )) ( (resid 98 and name HB )) 3.29 1.49 0.33
assign ((resid 99 and name HN )) ( (resid 99 and name HB* )) 3.34 1.54 0.33
assign ((resid 100 and name HN )) ( (resid 100 and name HB )) 3.52 1.72 0.35
assign ((resid 103 and name HN )) ( (resid 103 and name HB )) 3.65 1.85 0.37
assign ((resid 105 and name HN )) ( (resid 105 and name HB )) 3.55 1.75 0.35
assign ((resid 6 and name HN )) ( (resid 6 and name HB2 )) 3.46 1.66 0.35
assign ((resid 9 and name HN )) ( (resid 9 and name HB2 )) 3.66 1.86 0.37
assign ((resid 14 and name HN )) ( (resid 14 and name HB2 )) 3.80 2.00 0.38
assign ((resid 20 and name HN )) ( (resid 20 and name HB2 )) 3.39 1.59 0.34
assign ((resid 21 and name HN )) ( (resid 21 and name HB1 )) 2.97 1.17 0.30
assign ((resid 23 and name HN )) ( (resid 23 and name HB1 )) 3.54 1.74 0.35
assign ((resid 25 and name HN )) ( (resid 25 and name HB2 )) 3.59 1.79 0.36
assign ((resid 30 and name HN )) ( (resid 30 and name HB2 )) 3.71 1.91 0.37
assign ((resid 49 and name HN )) ( (resid 49 and name HB2 )) 3.59 1.79 0.36
assign ((resid 51 and name HN )) ( (resid 51 and name HB1 )) 3.80 2.00 0.38
assign ((resid 61 and name HN )) ( (resid 61 and name HB1 )) 3.27 1.47 0.33
assign ((resid 65 and name HN )) ( (resid 65 and name HB2 )) 3.80 2.00 0.38
assign ((resid 73 and name HN )) ( (resid 73 and name HB2 )) 3.67 1.87 0.37
assign ((resid 74 and name HN )) ( (resid 74 and name HB1 )) 3.21 1.41 0.32
assign ((resid 76 and name HN )) ( (resid 76 and name HB2 )) 3.45 1.65 0.34
assign ((resid 78 and name HN )) ( (resid 78 and name HB2 )) 3.88 2.08 0.39
assign ((resid 85 and name HN )) ( (resid 85 and name HB1 )) 3.75 1.95 0.38
assign ((resid 86 and name HN )) ( (resid 86 and name HB2 )) 3.80 2.00 0.38
assign ((resid 91 and name HN )) ( (resid 91 and name HB2 )) 3.82 2.02 0.38
assign ((resid 93 and name HN )) ( (resid 93 and name HB2 )) 3.71 1.91 0.37
assign ((resid 95 and name HN )) ( (resid 95 and name HB2 )) 3.82 2.02 0.38
assign ((resid 97 and name HN )) ( (resid 97 and name HB2 )) 3.81 2.01 0.38
assign ((resid 102 and name HN )) ( (resid 102 and name HB2 )) 3.86 2.06 0.39
assign ((resid 104 and name HN )) ( (resid 104 and name HB2 )) 3.50 1.70 0.35
assign ((resid 107 and name HN )) ( (resid 107 and name HB* )) 2.87 1.07 0.29
assign ((resid 108 and name HN )) ( (resid 108 and name HB* )) 3.09 1.29 0.31
assign ((resid 3 and name HN )) ( (resid 3 and name HB2 )) 3.54 1.74 0.35
assign ((resid 6 and name HN )) ( (resid 6 and name HB1 )) 3.82 2.02 0.38
assign ((resid 11 and name HN )) ( (resid 11 and name HB2 )) 3.68 1.88 0.37
assign ((resid 14 and name HN )) ( (resid 14 and name HB1 )) 3.80 2.00 0.38
assign ((resid 21 and name HN )) ( (resid 21 and name HB2 )) 3.23 1.43 0.32
assign ((resid 23 and name HN )) ( (resid 23 and name HB2 )) 3.23 1.43 0.32
assign ((resid 24 and name HN )) ( (resid 24 and name HB2 )) 3.79 1.99 0.38
assign ((resid 29 and name HN )) ( (resid 29 and name HB1 )) 3.67 1.87 0.37
assign ((resid 30 and name HN )) ( (resid 30 and name HB1 )) 3.78 1.98 0.38
assign ((resid 31 and name HN )) ( (resid 31 and name HB* )) 3.45 1.65 0.34
assign ((resid 40 and name HN )) ( (resid 40 and name HB2 )) 3.82 2.02 0.38
assign ((resid 42 and name HN )) ( (resid 81 and name HB* )) 4.67 2.87 0.47
assign ((resid 48 and name HG2* )) ( (resid 49 and name HN )) 3.36 1.56 0.34
assign ((resid 49 and name HN )) ( (resid 49 and name HB1 )) 3.59 1.79 0.36
assign ((resid 53 and name HN )) ( (resid 53 and name HB2 )) 3.86 2.06 0.39
assign ((resid 61 and name HN )) ( (resid 61 and name HB2 )) 3.26 1.46 0.33
assign ((resid 62 and name HN )) ( (resid 62 and name HB2 )) 3.65 1.85 0.37
assign ((resid 73 and name HN )) ( (resid 73 and name HB1 )) 3.67 1.87 0.37
assign ((resid 74 and name HN )) ( (resid 74 and name HB2 )) 3.65 1.85 0.37
assign ((resid 76 and name HN )) ( (resid 76 and name HB1 )) 3.45 1.65 0.34
assign ((resid 78 and name HN )) ( (resid 78 and name HB1 )) 3.88 2.08 0.39
assign ((resid 80 and name HN )) ( (resid 80 and name HB2 )) 3.85 2.05 0.38
assign ((resid 85 and name HN )) ( (resid 85 and name HB2 )) 3.66 1.86 0.37
assign ((resid 86 and name HN )) ( (resid 86 and name HB1 )) 3.80 2.00 0.38
assign ((resid 91 and name HN )) ( (resid 91 and name HB1 )) 3.82 2.02 0.38
assign ((resid 93 and name HN )) ( (resid 93 and name HB1 )) 3.71 1.91 0.37
assign ((resid 95 and name HN )) ( (resid 95 and name HB1 )) 3.82 2.02 0.38
assign ((resid 97 and name HN )) ( (resid 97 and name HB1 )) 3.81 2.01 0.38
assign ((resid 102 and name HN )) ( (resid 102 and name HB1 )) 3.86 2.06 0.39
assign ((resid 104 and name HN )) ( (resid 104 and name HB1 )) 3.50 1.70 0.35
assign ((resid 7 and name HN )) ( (resid 8 and name HN )) 4.58 2.78 0.46
assign ((resid 8 and name HN )) ( (resid 9 and name HN )) 4.49 2.69 0.45
assign ((resid 15 and name HN )) ( (resid 16 and name HN )) 4.48 2.68 0.45
assign ((resid 16 and name HN )) ( (resid 17 and name HN )) 4.83 3.03 0.48
assign ((resid 18 and name HN )) ( (resid 106 and name HN )) 3.91 2.11 0.39
assign ((resid 18 and name HN )) ( (resid 19 and name HN )) 4.82 3.02 0.48
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 3.51 1.71 0.35
assign ((resid 22 and name HN )) ( (resid 23 and name HN )) 4.53 2.73 0.45
assign ((resid 23 and name HN )) ( (resid 24 and name HN )) 4.51 2.71 0.45
assign ((resid 25 and name HN )) ( (resid 26 and name HN )) 4.55 2.75 0.46
assign ((resid 27 and name HN )) ( (resid 28 and name HN )) 4.44 2.64 0.44
assign ((resid 28 and name HN )) ( (resid 29 and name HN )) 4.43 2.63 0.44
assign ((resid 30 and name HN )) ( (resid 31 and name HN )) 4.75 2.95 0.47
assign ((resid 31 and name HN )) ( (resid 32 and name HN )) 3.40 1.60 0.34
assign ((resid 33 and name HN )) ( (resid 34 and name HN )) 3.55 1.75 0.35
assign ((resid 39 and name HN )) ( (resid 40 and name HN )) 4.44 2.64 0.44
assign ((resid 42 and name HN )) ( (resid 82 and name HN )) 3.71 1.91 0.37
assign ((resid 44 and name HN )) ( (resid 45 and name HN )) 5.25 3.45 0.53
assign ((resid 46 and name HN )) ( (resid 47 and name HN )) 3.98 2.18 0.40
assign ((resid 47 and name HN )) ( (resid 48 and name HN )) 3.75 1.95 0.38
assign ((resid 48 and name HN )) ( (resid 49 and name HN )) 4.92 3.12 0.49
assign ((resid 50 and name HN )) ( (resid 51 and name HN )) 3.32 1.52 0.33
assign ((resid 52 and name HN )) ( (resid 53 and name HN )) 4.44 2.64 0.44
assign ((resid 53 and name HN )) ( (resid 54 and name HN )) 4.51 2.71 0.45
assign ((resid 54 and name HN )) ( (resid 55 and name HN )) 4.40 2.60 0.44
assign ((resid 55 and name HN )) ( (resid 56 and name HN )) 4.47 2.67 0.45
assign ((resid 57 and name HN )) ( (resid 58 and name HN )) 4.81 3.01 0.48
assign ((resid 60 and name HN )) ( (resid 61 and name HN )) 3.58 1.78 0.36
assign ((resid 61 and name HN )) ( (resid 62 and name HN )) 4.73 2.93 0.47
assign ((resid 62 and name HN )) ( (resid 63 and name HN )) 5.07 3.27 0.51
assign ((resid 104 and name HN )) ( (resid 105 and name HN )) 4.96 3.16 0.50
assign ((resid 72 and name HN )) ( (resid 73 and name HN )) 3.15 1.35 0.32
assign ((resid 74 and name HN )) ( (resid 75 and name HN )) 4.80 3.00 0.48
assign ((resid 76 and name HN )) ( (resid 77 and name HN )) 4.64 2.84 0.46
assign ((resid 46 and name HN )) ( (resid 78 and name HN )) 4.24 2.44 0.42
assign ((resid 44 and name HN )) ( (resid 80 and name HN )) 3.69 1.89 0.37
assign ((resid 82 and name HN )) ( (resid 83 and name HN )) 4.79 2.99 0.48
assign ((resid 84 and name HN )) ( (resid 85 and name HN )) 4.06 2.26 0.41
assign ((resid 86 and name HN )) ( (resid 87 and name HN )) 3.70 1.90 0.37
assign ((resid 90 and name HN )) ( (resid 91 and name HN )) 4.60 2.80 0.46
assign ((resid 91 and name HN )) ( (resid 92 and name HN )) 4.65 2.85 0.47
assign ((resid 92 and name HN )) ( (resid 93 and name HN )) 3.41 1.61 0.34
assign ((resid 99 and name HN )) ( (resid 100 and name HN )) 4.65 2.85 0.47
assign ((resid 100 and name HN )) ( (resid 101 and name HN )) 4.63 2.83 0.46
assign ((resid 101 and name HN )) ( (resid 102 and name HN )) 4.53 2.73 0.45
assign ((resid 103 and name HN )) ( (resid 104 and name HN )) 4.42 2.62 0.44
assign ((resid 107 and name HN )) ( (resid 108 and name HN )) 3.69 1.89 0.37
assign ((resid 2 and name HA )) ( (resid 3 and name HN )) 2.80 1.00 0.28
assign ((resid 4 and name HA )) ( (resid 5 and name HN )) 3.12 1.32 0.31
assign ((resid 5 and name HA )) ( (resid 6 and name HN )) 3.23 1.43 0.32
assign ((resid 6 and name HA )) ( (resid 7 and name HN )) 3.00 1.20 0.30
assign ((resid 7 and name HA )) ( (resid 8 and name HN )) 3.03 1.23 0.30
assign ((resid 8 and name HA )) ( (resid 9 and name HN )) 2.86 1.06 0.29
assign ((resid 9 and name HA )) ( (resid 10 and name HN )) 2.89 1.09 0.29
assign ((resid 10 and name HA )) ( (resid 11 and name HN )) 2.88 1.08 0.29
assign ((resid 11 and name HA )) ( (resid 12 and name HN )) 2.77 0.97 0.28
assign ((resid 13 and name HA )) ( (resid 14 and name HN )) 2.85 1.05 0.28
assign ((resid 15 and name HA )) ( (resid 16 and name HN )) 2.90 1.10 0.29
assign ((resid 16 and name HA )) ( (resid 17 and name HN )) 3.00 1.20 0.30
assign ((resid 18 and name HA )) ( (resid 19 and name HN )) 3.11 1.31 0.31
assign ((resid 20 and name HN )) ( (resid 71 and name HD2 )) 4.15 2.35 0.42
assign ((resid 20 and name HA )) ( (resid 21 and name HN )) 2.92 1.12 0.29
assign ((resid 21 and name HA )) ( (resid 22 and name HN )) 3.02 1.22 0.30
assign ((resid 22 and name HA )) ( (resid 23 and name HN )) 2.77 0.97 0.28
assign ((resid 23 and name HA )) ( (resid 24 and name HN )) 3.05 1.25 0.31
assign ((resid 24 and name HA )) ( (resid 25 and name HN )) 3.08 1.28 0.31
assign ((resid 25 and name HA )) ( (resid 26 and name HN )) 3.09 1.29 0.31
assign ((resid 26 and name HA )) ( (resid 27 and name HN )) 3.08 1.28 0.31
assign ((resid 27 and name HA )) ( (resid 28 and name HN )) 3.00 1.20 0.30
assign ((resid 28 and name HA )) ( (resid 29 and name HN )) 2.89 1.09 0.29
assign ((resid 29 and name HA )) ( (resid 30 and name HN )) 3.02 1.22 0.30
assign ((resid 30 and name HA )) ( (resid 31 and name HN )) 3.15 1.35 0.32
assign ((resid 34 and name HA )) ( (resid 35 and name HN )) 3.08 1.28 0.31
assign ((resid 39 and name HA )) ( (resid 40 and name HN )) 2.99 1.19 0.30
assign ((resid 40 and name HA )) ( (resid 41 and name HN )) 3.04 1.24 0.30
assign ((resid 41 and name HA )) ( (resid 42 and name HN )) 3.11 1.31 0.31
assign ((resid 42 and name HA )) ( (resid 43 and name HN )) 3.08 1.28 0.31
assign ((resid 43 and name HA )) ( (resid 44 and name HN )) 3.11 1.31 0.31
assign ((resid 44 and name HA )) ( (resid 45 and name HN )) 3.16 1.36 0.32
assign ((resid 45 and name HA )) ( (resid 46 and name HN )) 3.28 1.48 0.33
assign ((resid 48 and name HA )) ( (resid 49 and name HN )) 3.15 1.35 0.32
assign ((resid 49 and name HA )) ( (resid 50 and name HN )) 3.54 1.74 0.35
assign ((resid 51 and name HA )) ( (resid 52 and name HN )) 2.77 0.97 0.28
assign ((resid 52 and name HA )) ( (resid 53 and name HN )) 3.04 1.24 0.30
assign ((resid 53 and name HA )) ( (resid 54 and name HN )) 2.91 1.11 0.29
assign ((resid 54 and name HA )) ( (resid 55 and name HN )) 2.92 1.12 0.29
assign ((resid 55 and name HA )) ( (resid 56 and name HN )) 2.92 1.12 0.29
assign ((resid 56 and name HA )) ( (resid 57 and name HN )) 3.01 1.21 0.30
assign ((resid 57 and name HA )) ( (resid 58 and name HN )) 3.24 1.44 0.32
assign ((resid 59 and name HA )) ( (resid 60 and name HN )) 3.09 1.29 0.31
assign ((resid 60 and name HA )) ( (resid 61 and name HN )) 3.41 1.61 0.34
assign ((resid 61 and name HA )) ( (resid 62 and name HN )) 2.88 1.08 0.29
assign ((resid 62 and name HA )) ( (resid 63 and name HN )) 3.02 1.22 0.30
assign ((resid 63 and name HA )) ( (resid 64 and name HN )) 2.81 1.01 0.28
assign ((resid 103 and name HA )) ( (resid 104 and name HN )) 3.00 1.20 0.30
assign ((resid 64 and name HA )) ( (resid 65 and name HN )) 3.09 1.29 0.31
assign ((resid 65 and name HA )) ( (resid 66 and name HN )) 2.84 1.04 0.28
assign ((resid 66 and name HA )) ( (resid 67 and name HN )) 2.91 1.11 0.29
assign ((resid 67 and name HA )) ( (resid 68 and name HN )) 3.03 1.23 0.30
assign ((resid 68 and name HA )) ( (resid 69 and name HN )) 3.26 1.46 0.33
assign ((resid 71 and name HA )) ( (resid 72 and name HN )) 3.13 1.33 0.31
assign ((resid 73 and name HA )) ( (resid 74 and name HN )) 3.00 1.20 0.30
assign ((resid 74 and name HA )) ( (resid 75 and name HN )) 3.06 1.26 0.31
assign ((resid 76 and name HA )) ( (resid 77 and name HN )) 3.07 1.27 0.31
assign ((resid 77 and name HA )) ( (resid 78 and name HN )) 2.96 1.16 0.30
assign ((resid 78 and name HA )) ( (resid 79 and name HN )) 3.19 1.39 0.32
assign ((resid 79 and name HA )) ( (resid 80 and name HN )) 3.00 1.20 0.30
assign ((resid 80 and name HA )) ( (resid 81 and name HN )) 2.97 1.17 0.30
assign ((resid 81 and name HA )) ( (resid 82 and name HN )) 2.99 1.19 0.30
assign ((resid 82 and name HA )) ( (resid 83 and name HN )) 3.06 1.26 0.31
assign ((resid 83 and name HA )) ( (resid 84 and name HN )) 3.38 1.58 0.34
assign ((resid 84 and name HA )) ( (resid 85 and name HN )) 3.29 1.49 0.33
assign ((resid 85 and name HA )) ( (resid 87 and name HN )) 4.48 2.68 0.45
assign ((resid 89 and name HA )) ( (resid 90 and name HN )) 2.98 1.18 0.30
assign ((resid 90 and name HA )) ( (resid 91 and name HN )) 2.93 1.13 0.29
assign ((resid 91 and name HA )) ( (resid 92 and name HN )) 3.44 1.64 0.34
assign ((resid 98 and name HA )) ( (resid 99 and name HN )) 2.89 1.09 0.29
assign ((resid 99 and name HA )) ( (resid 100 and name HN )) 2.68 0.88 0.27
assign ((resid 100 and name HA )) ( (resid 101 and name HN )) 3.01 1.21 0.30
assign ((resid 101 and name HA )) ( (resid 102 and name HN )) 2.82 1.02 0.28
assign ((resid 102 and name HA )) ( (resid 103 and name HN )) 2.98 1.18 0.30
assign ((resid 104 and name HA )) ( (resid 105 and name HN )) 2.99 1.19 0.30
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assign ((resid 29 and name HB2 )) ( (resid 29 and name HE* )) 4.40 2.60 0.44
assign ((resid 29 and name HE* )) ( (resid 31 and name HD1* )) 3.99 2.19 0.40
assign ((resid 29 and name HE* )) ( (resid 31 and name HD2* )) 3.36 1.56 0.34
assign ((resid 29 and name HE* )) ( (resid 62 and name HG1 )) 4.30 2.50 0.43
assign ((resid 30 and name HN )) ( (resid 30 and name HD2* )) 4.60 2.80 0.46
assign ((resid 30 and name HA )) ( (resid 30 and name HD2* )) 4.72 2.92 0.47
assign ((resid 30 and name HB2 )) ( (resid 30 and name HD2* )) 3.56 1.76 0.36
assign ((resid 30 and name HB1 )) ( (resid 30 and name HD2* )) 3.54 1.74 0.35
assign ((resid 30 and name HD2* )) ( (resid 34 and name HN )) 4.35 2.55 0.44
assign ((resid 30 and name HD2* )) ( (resid 35 and name HN )) 4.98 3.18 0.50
assign ((resid 30 and name HD2* )) ( (resid 35 and name HA1 )) 4.21 2.41 0.42
assign ((resid 30 and name HD2* )) ( (resid 57 and name HB2 )) 4.51 2.71 0.45
assign ((resid 30 and name HD2* )) ( (resid 57 and name HB1 )) 4.57 2.77 0.46
assign ((resid 30 and name HD2* )) ( (resid 59 and name HA )) 3.87 2.07 0.39
assign ((resid 30 and name HD2* )) ( (resid 60 and name HN )) 4.52 2.72 0.45
assign ((resid 30 and name HD2* )) ( (resid 61 and name HN )) 4.51 2.71 0.45
assign ((resid 31 and name HD1* )) ( (resid 96 and name HB* )) 5.34 3.54 0.53
assign ((resid 31 and name HD1* )) ( (resid 96 and name HD2* )) 3.73 1.93 0.37
assign ((resid 31 and name HD2* )) ( (resid 60 and name HG* )) 5.25 3.45 0.53
assign ((resid 32 and name HA* )) ( (resid 33 and name HN )) 3.09 1.29 0.31
assign ((resid 32 and name HA* )) ( (resid 34 and name HN )) 4.04 2.24 0.40
assign ((resid 32 and name HA* )) ( (resid 34 and name HG2* )) 4.79 2.99 0.48
assign ((resid 32 and name HA* )) ( (resid 92 and name HD1* )) 4.34 2.54 0.43
assign ((resid 33 and name HA* )) ( (resid 34 and name HA )) 4.88 3.08 0.49
assign ((resid 33 and name HA* )) ( (resid 34 and name HB )) 5.33 3.53 0.53
assign ((resid 33 and name HA* )) ( (resid 59 and name HA )) 4.54 2.74 0.45
assign ((resid 33 and name HA* )) ( (resid 59 and name HB2 )) 3.83 2.03 0.38
assign ((resid 33 and name HA* )) ( (resid 59 and name HB1 )) 3.85 2.05 0.38
assign ((resid 33 and name HA* )) ( (resid 60 and name HE* )) 3.98 2.18 0.40
assign ((resid 34 and name HN )) ( (resid 60 and name HG* )) 4.59 2.79 0.46
assign ((resid 35 and name HN )) ( (resid 58 and name HA* )) 4.41 2.61 0.44
assign ((resid 35 and name HA2 )) ( (resid 58 and name HA* )) 4.05 2.25 0.41
assign ((resid 35 and name HA1 )) ( (resid 58 and name HA* )) 4.21 2.41 0.42
assign ((resid 36 and name HN )) ( (resid 58 and name HA* )) 4.74 2.94 0.47
assign ((resid 36 and name HB )) ( (resid 37 and name HD* )) 5.24 3.44 0.52
assign ((resid 36 and name HG1* )) ( (resid 37 and name HD* )) 3.38 1.58 0.34
assign ((resid 37 and name HB2 )) ( (resid 38 and name HB* )) 4.88 3.08 0.49
assign ((resid 37 and name HD* )) ( (resid 38 and name HN )) 3.34 1.54 0.33
assign ((resid 38 and name HN )) ( (resid 38 and name HB* )) 3.40 1.60 0.34
assign ((resid 38 and name HB* )) ( (resid 39 and name HN )) 3.98 2.18 0.40
assign ((resid 40 and name HN )) ( (resid 40 and name HD* )) 4.16 2.36 0.42
assign ((resid 40 and name HA )) ( (resid 40 and name HD* )) 4.66 2.86 0.47
assign ((resid 40 and name HB2 )) ( (resid 40 and name HD* )) 2.39 0.59 0.24
assign ((resid 40 and name HB1 )) ( (resid 40 and name HD* )) 3.38 1.58 0.34
assign ((resid 40 and name HG1 )) ( (resid 40 and name HD* )) 2.53 0.73 0.25
assign ((resid 40 and name HD* )) ( (resid 52 and name HB* )) 5.34 3.54 0.53
assign ((resid 40 and name HD* )) ( (resid 54 and name HA )) 4.62 2.82 0.46
assign ((resid 40 and name HD* )) ( (resid 84 and name HA )) 4.91 3.11 0.49
assign ((resid 42 and name HN )) ( (resid 42 and name HB* )) 3.37 1.57 0.34
assign ((resid 42 and name HB* )) ( (resid 43 and name HN )) 3.87 2.07 0.39
assign ((resid 42 and name HB* )) ( (resid 43 and name HA )) 4.72 2.92 0.47
assign ((resid 42 and name HB* )) ( (resid 44 and name HE* )) 3.84 2.04 0.38
assign ((resid 42 and name HB* )) ( (resid 49 and name HD1* )) 3.73 1.93 0.37
assign ((resid 42 and name HB* )) ( (resid 52 and name HB* )) 4.61 2.81 0.46
assign ((resid 42 and name HB* )) ( (resid 82 and name HN )) 4.64 2.84 0.46
assign ((resid 42 and name HG* )) ( (resid 49 and name HD1* )) 4.21 2.41 0.42
assign ((resid 42 and name HG* )) ( (resid 52 and name HB* )) 3.60 1.80 0.36
assign ((resid 42 and name HD* )) ( (resid 44 and name HE* )) 4.39 2.59 0.44
assign ((resid 42 and name HD* )) ( (resid 49 and name HD1* )) 3.68 1.88 0.37
assign ((resid 42 and name HD* )) ( (resid 49 and name HD2* )) 4.74 2.94 0.47
assign ((resid 43 and name HB )) ( (resid 50 and name HB* )) 4.72 2.92 0.47
assign ((resid 44 and name HA )) ( (resid 50 and name HB* )) 4.50 2.70 0.45
assign ((resid 44 and name HD* )) ( (resid 49 and name HB* )) 4.11 2.31 0.41
assign ((resid 44 and name HE* )) ( (resid 49 and name HB* )) 4.06 2.26 0.41
assign ((resid 45 and name HB )) ( (resid 50 and name HB* )) 4.67 2.87 0.47
assign ((resid 45 and name HG2* )) ( (resid 46 and name HB* )) 4.39 2.59 0.44
assign ((resid 45 and name HG2* )) ( (resid 46 and name HD2* )) 4.23 2.43 0.42
assign ((resid 45 and name HG11 )) ( (resid 50 and name HB* )) 4.30 2.50 0.43
assign ((resid 45 and name HD1* )) ( (resid 50 and name HB* )) 3.95 2.15 0.40
assign ((resid 46 and name HA )) ( (resid 46 and name HD2* )) 4.60 2.80 0.46
assign ((resid 46 and name HA )) ( (resid 78 and name HB* )) 4.58 2.78 0.46
assign ((resid 46 and name HB* )) ( (resid 46 and name HD2* )) 2.91 1.11 0.29
assign ((resid 46 and name HB* )) ( (resid 77 and name HD* )) 4.43 2.63 0.44
assign ((resid 46 and name HD2* )) ( (resid 77 and name HA )) 3.57 1.77 0.36
assign ((resid 46 and name HD2* )) ( (resid 77 and name HD* )) 3.64 1.84 0.36
assign ((resid 46 and name HD2* )) ( (resid 77 and name HE* )) 4.27 2.47 0.43
assign ((resid 46 and name HD2* )) ( (resid 78 and name HN )) 4.37 2.57 0.44
assign ((resid 49 and name HA )) ( (resid 50 and name HB* )) 4.50 2.70 0.45
assign ((resid 49 and name HB* )) ( (resid 49 and name HD1* )) 3.13 1.33 0.31
assign ((resid 49 and name HD1* )) ( (resid 50 and name HB* )) 5.34 3.54 0.53
assign ((resid 49 and name HD1* )) ( (resid 52 and name HD2* )) 4.54 2.74 0.45
assign ((resid 49 and name HD2* )) ( (resid 52 and name HD2* )) 3.70 1.90 0.37
assign ((resid 50 and name HB* )) ( (resid 51 and name HN )) 3.42 1.62 0.34
assign ((resid 50 and name HE* )) ( (resid 51 and name HE* )) 4.74 2.94 0.47
assign ((resid 50 and name HE* )) ( (resid 69 and name HB* )) 3.80 2.00 0.38
assign ((resid 51 and name HA )) ( (resid 52 and name HD2* )) 4.48 2.68 0.45
assign ((resid 51 and name HB1 )) ( (resid 51 and name HE* )) 4.60 2.80 0.46
assign ((resid 51 and name HG2 )) ( (resid 51 and name HE* )) 3.60 1.80 0.36
assign ((resid 51 and name HG1 )) ( (resid 51 and name HE* )) 3.49 1.69 0.35
assign ((resid 51 and name HE* )) ( (resid 53 and name HE1 )) 4.40 2.60 0.44
assign ((resid 51 and name HE* )) ( (resid 53 and name HZ2 )) 3.99 2.19 0.40
assign ((resid 52 and name HN )) ( (resid 52 and name HD2* )) 3.84 2.04 0.38
assign ((resid 55 and name HB )) ( (resid 63 and name HD* )) 5.34 3.54 0.53
assign ((resid 55 and name HB )) ( (resid 63 and name HE* )) 4.43 2.63 0.44
assign ((resid 55 and name HG1* )) ( (resid 63 and name HD* )) 4.90 3.10 0.49
assign ((resid 55 and name HG1* )) ( (resid 63 and name HE* )) 4.38 2.58 0.44
assign ((resid 55 and name HG2* )) ( (resid 63 and name HD* )) 4.64 2.84 0.46
assign ((resid 55 and name HG2* )) ( (resid 63 and name HE* )) 4.66 2.86 0.47
assign ((resid 56 and name HN )) ( (resid 63 and name HE* )) 5.02 3.22 0.50
assign ((resid 57 and name HA )) ( (resid 58 and name HA* )) 4.50 2.70 0.45
assign ((resid 57 and name HB1 )) ( (resid 61 and name HG* )) 5.34 3.54 0.53
assign ((resid 57 and name HD2* )) ( (resid 58 and name HA* )) 5.34 3.54 0.53
assign ((resid 57 and name HD2* )) ( (resid 61 and name HG* )) 3.36 1.56 0.34
assign ((resid 57 and name HD2* )) ( (resid 63 and name HD* )) 3.74 1.94 0.37
assign ((resid 57 and name HD2* )) ( (resid 63 and name HE* )) 4.10 2.30 0.41
assign ((resid 58 and name HN )) ( (resid 61 and name HG* )) 4.09 2.29 0.41
assign ((resid 58 and name HA* )) ( (resid 59 and name HG1 )) 4.34 2.54 0.43
assign ((resid 58 and name HA* )) ( (resid 61 and name HB2 )) 4.01 2.21 0.40
assign ((resid 60 and name HN )) ( (resid 60 and name HG* )) 3.71 1.91 0.37
assign ((resid 60 and name HA )) ( (resid 60 and name HG* )) 3.42 1.62 0.34
assign ((resid 60 and name HB* )) ( (resid 60 and name HE* )) 4.15 2.35 0.42
assign ((resid 60 and name HG* )) ( (resid 61 and name HN )) 4.73 2.93 0.47
assign ((resid 61 and name HN )) ( (resid 61 and name HG* )) 4.21 2.41 0.42
assign ((resid 61 and name HG* )) ( (resid 62 and name HN )) 3.28 1.48 0.33
assign ((resid 61 and name HG* )) ( (resid 63 and name HG* )) 3.90 2.10 0.39
assign ((resid 63 and name HA )) ( (resid 63 and name HD* )) 3.66 1.86 0.37
assign ((resid 63 and name HA )) ( (resid 63 and name HE* )) 3.91 2.11 0.39
assign ((resid 63 and name HB2 )) ( (resid 63 and name HD* )) 3.50 1.70 0.35
assign ((resid 63 and name HB1 )) ( (resid 63 and name HD* )) 2.76 0.96 0.28
assign ((resid 63 and name HB1 )) ( (resid 63 and name HE* )) 3.53 1.73 0.35
assign ((resid 63 and name HG* )) ( (resid 63 and name HE* )) 2.99 1.19 0.30
assign ((resid 63 and name HD* )) ( (resid 65 and name HD2* )) 5.19 3.39 0.52
assign ((resid 63 and name HE* )) ( (resid 64 and name HN )) 5.34 3.54 0.53
assign ((resid 63 and name HE* )) ( (resid 65 and name HD2* )) 4.37 2.57 0.44
assign ((resid 67 and name HA )) ( (resid 68 and name HB* )) 4.44 2.64 0.44
assign ((resid 67 and name HD* )) ( (resid 69 and name HB* )) 4.72 2.92 0.47
assign ((resid 68 and name HN )) ( (resid 68 and name HB* )) 3.47 1.67 0.35
assign ((resid 68 and name HB* )) ( (resid 69 and name HN )) 3.70 1.90 0.37
assign ((resid 69 and name HH2 )) ( (resid 77 and name HB* )) 3.62 1.82 0.36
assign ((resid 73 and name HN )) ( (resid 73 and name HG* )) 4.13 2.33 0.41
assign ((resid 73 and name HA )) ( (resid 74 and name HG* )) 5.33 3.53 0.53
assign ((resid 73 and name HB* )) ( (resid 77 and name HE* )) 5.10 3.30 0.51
assign ((resid 73 and name HG* )) ( (resid 73 and name HE* )) 3.23 1.43 0.32
assign ((resid 73 and name HG* )) ( (resid 74 and name HN )) 3.72 1.92 0.37
assign ((resid 73 and name HG* )) ( (resid 77 and name HE* )) 5.34 3.54 0.53
assign ((resid 74 and name HN )) ( (resid 74 and name HG* )) 3.35 1.55 0.34
assign ((resid 74 and name HA )) ( (resid 74 and name HG* )) 3.55 1.75 0.35
assign ((resid 74 and name HB2 )) ( (resid 75 and name HA* )) 5.04 3.24 0.50
assign ((resid 74 and name HB1 )) ( (resid 74 and name HG* )) 2.57 0.77 0.26
assign ((resid 74 and name HG* )) ( (resid 75 and name HN )) 4.40 2.60 0.44
assign ((resid 74 and name HG* )) ( (resid 105 and name HG1* )) 4.84 3.04 0.48
assign ((resid 74 and name HG* )) ( (resid 106 and name HA )) 4.88 3.08 0.49
assign ((resid 74 and name HG* )) ( (resid 107 and name HN )) 4.26 2.46 0.43
assign ((resid 74 and name HG* )) ( (resid 107 and name HA )) 4.79 2.99 0.48
assign ((resid 74 and name HG* )) ( (resid 107 and name HG )) 3.88 2.08 0.39
assign ((resid 74 and name HG* )) ( (resid 107 and name HD1* )) 3.52 1.72 0.35
assign ((resid 75 and name HA* )) ( (resid 76 and name HA )) 4.64 2.84 0.46
assign ((resid 75 and name HA* )) ( (resid 76 and name HB* )) 4.14 2.34 0.41
assign ((resid 75 and name HA* )) ( (resid 77 and name HE* )) 4.00 2.20 0.40
assign ((resid 75 and name HA* )) ( (resid 105 and name HB )) 4.22 2.42 0.42
assign ((resid 76 and name HN )) ( (resid 76 and name HB* )) 3.01 1.21 0.30
assign ((resid 76 and name HN )) ( (resid 76 and name HG* )) 4.14 2.34 0.41
assign ((resid 76 and name HA )) ( (resid 104 and name HB* )) 5.24 3.44 0.52
assign ((resid 76 and name HG* )) ( (resid 76 and name HE* )) 3.27 1.47 0.33
assign ((resid 76 and name HG* )) ( (resid 77 and name HN )) 4.65 2.85 0.47
assign ((resid 76 and name HG* )) ( (resid 104 and name HA )) 5.34 3.54 0.53
assign ((resid 76 and name HE* )) ( (resid 104 and name HB* )) 3.74 1.94 0.37
assign ((resid 77 and name HB* )) ( (resid 78 and name HN )) 3.70 1.90 0.37
assign ((resid 77 and name HB* )) ( (resid 103 and name HN )) 4.60 2.80 0.46
assign ((resid 77 and name HB* )) ( (resid 103 and name HB )) 3.93 2.13 0.39
assign ((resid 77 and name HB* )) ( (resid 103 and name HG1* )) 4.05 2.25 0.41
assign ((resid 77 and name HB* )) ( (resid 103 and name HG2* )) 4.83 3.03 0.48
assign ((resid 77 and name HB* )) ( (resid 105 and name HG2* )) 4.21 2.41 0.42
assign ((resid 78 and name HN )) ( (resid 78 and name HB* )) 3.30 1.50 0.33
assign ((resid 78 and name HN )) ( (resid 78 and name HG* )) 3.94 2.14 0.39
assign ((resid 78 and name HA )) ( (resid 78 and name HG* )) 3.38 1.58 0.34
assign ((resid 78 and name HA )) ( (resid 78 and name HD* )) 4.66 2.86 0.47
assign ((resid 78 and name HB* )) ( (resid 78 and name HD* )) 3.33 1.53 0.33
assign ((resid 78 and name HB* )) ( (resid 78 and name HE )) 3.77 1.97 0.38
assign ((resid 78 and name HB* )) ( (resid 79 and name HN )) 4.41 2.61 0.44
assign ((resid 78 and name HB* )) ( (resid 100 and name HG2* )) 4.29 2.49 0.43
assign ((resid 78 and name HB* )) ( (resid 103 and name HG2* )) 5.34 3.54 0.53
assign ((resid 78 and name HG* )) ( (resid 78 and name HE )) 3.65 1.85 0.37
assign ((resid 78 and name HG* )) ( (resid 79 and name HN )) 4.55 2.75 0.46
assign ((resid 78 and name HG* )) ( (resid 80 and name HD22 )) 4.74 2.94 0.47
assign ((resid 78 and name HG* )) ( (resid 100 and name HA )) 4.47 2.67 0.45
assign ((resid 78 and name HG* )) ( (resid 100 and name HG2* )) 4.09 2.29 0.41
assign ((resid 78 and name HG* )) ( (resid 101 and name HN )) 4.29 2.49 0.43
assign ((resid 78 and name HD* )) ( (resid 80 and name HD22 )) 4.03 2.23 0.40
assign ((resid 78 and name HD* )) ( (resid 100 and name HA )) 4.60 2.80 0.46
assign ((resid 78 and name HD* )) ( (resid 100 and name HG2* )) 3.32 1.52 0.33
assign ((resid 83 and name HN )) ( (resid 97 and name HB* )) 4.01 2.21 0.40
assign ((resid 83 and name HN )) ( (resid 97 and name HD2* )) 5.33 3.53 0.53
assign ((resid 83 and name HG1* )) ( (resid 91 and name HG* )) 5.25 3.45 0.53
assign ((resid 83 and name HG1* )) ( (resid 97 and name HB* )) 3.68 1.88 0.37
assign ((resid 84 and name HA )) ( (resid 89 and name HG* )) 5.14 3.34 0.51
assign ((resid 84 and name HB2 )) ( (resid 89 and name HG* )) 4.15 2.35 0.42
assign ((resid 84 and name HB2 )) ( (resid 97 and name HD2* )) 4.23 2.43 0.42
assign ((resid 84 and name HB1 )) ( (resid 89 and name HG* )) 4.60 2.80 0.46
assign ((resid 86 and name HN )) ( (resid 86 and name HB* )) 3.30 1.50 0.33
assign ((resid 86 and name HN )) ( (resid 86 and name HG* )) 3.21 1.41 0.32
assign ((resid 86 and name HA )) ( (resid 86 and name HG* )) 3.36 1.56 0.34
assign ((resid 86 and name HB* )) ( (resid 87 and name HN )) 4.38 2.58 0.44
assign ((resid 86 and name HB* )) ( (resid 88 and name HG2* )) 3.16 1.36 0.32
assign ((resid 86 and name HG* )) ( (resid 88 and name HG2* )) 3.63 1.83 0.36
assign ((resid 87 and name HN )) ( (resid 87 and name HB* )) 3.54 1.74 0.35
assign ((resid 87 and name HB* )) ( (resid 87 and name HD2* )) 3.04 1.24 0.30
assign ((resid 87 and name HB* )) ( (resid 88 and name HN )) 4.15 2.35 0.42
assign ((resid 87 and name HB* )) ( (resid 89 and name HN )) 5.34 3.54 0.53
assign ((resid 88 and name HN )) ( (resid 89 and name HG* )) 4.13 2.33 0.41
assign ((resid 89 and name HN )) ( (resid 89 and name HG* )) 3.21 1.41 0.32
assign ((resid 89 and name HN )) ( (resid 91 and name HG* )) 5.34 3.54 0.53
assign ((resid 89 and name HA )) ( (resid 89 and name HG* )) 2.96 1.16 0.30
assign ((resid 89 and name HG* )) ( (resid 90 and name HN )) 3.32 1.52 0.33
assign ((resid 89 and name HG* )) ( (resid 91 and name HA )) 4.34 2.54 0.43
assign ((resid 89 and name HG* )) ( (resid 91 and name HG* )) 3.70 1.90 0.37
assign ((resid 90 and name HA )) ( (resid 91 and name HB* )) 4.73 2.93 0.47
assign ((resid 90 and name HG1* )) ( (resid 91 and name HG* )) 5.25 3.45 0.53
assign ((resid 90 and name HG2* )) ( (resid 91 and name HG* )) 5.34 3.54 0.53
assign ((resid 91 and name HN )) ( (resid 91 and name HB* )) 3.30 1.50 0.33
assign ((resid 91 and name HN )) ( (resid 91 and name HG* )) 3.51 1.71 0.35
assign ((resid 91 and name HB* )) ( (resid 92 and name HN )) 3.64 1.84 0.36
assign ((resid 91 and name HB* )) ( (resid 93 and name HN )) 3.18 1.38 0.32
assign ((resid 91 and name HG* )) ( (resid 92 and name HN )) 5.34 3.54 0.53
assign ((resid 91 and name HG* )) ( (resid 93 and name HN )) 5.18 3.38 0.52
assign ((resid 92 and name HB* )) ( (resid 93 and name HB* )) 3.92 2.12 0.39
assign ((resid 93 and name HN )) ( (resid 93 and name HB* )) 3.25 1.45 0.33
assign ((resid 93 and name HB* )) ( (resid 96 and name HD2* )) 3.83 2.03 0.38
assign ((resid 93 and name HD21 )) ( (resid 96 and name HB* )) 4.49 2.69 0.45
assign ((resid 93 and name HD22 )) ( (resid 96 and name HB* )) 4.05 2.25 0.41
assign ((resid 93 and name HD22 )) ( (resid 96 and name HD2* )) 4.99 3.19 0.50
assign ((resid 94 and name HA )) ( (resid 97 and name HD2* )) 5.34 3.54 0.53
assign ((resid 94 and name HB* )) ( (resid 94 and name HG* )) 2.18 0.38 0.22
assign ((resid 94 and name HG* )) ( (resid 95 and name HN )) 5.32 3.52 0.53
assign ((resid 95 and name HN )) ( (resid 95 and name HB* )) 3.29 1.49 0.33
assign ((resid 95 and name HN )) ( (resid 95 and name HD2* )) 4.50 2.70 0.45
assign ((resid 95 and name HA )) ( (resid 95 and name HD2* )) 4.42 2.62 0.44
assign ((resid 95 and name HB* )) ( (resid 95 and name HD2* )) 2.98 1.18 0.30
assign ((resid 95 and name HB* )) ( (resid 96 and name HN )) 3.83 2.03 0.38
assign ((resid 96 and name HB* )) ( (resid 96 and name HD2* )) 3.17 1.37 0.32
assign ((resid 97 and name HN )) ( (resid 97 and name HB* )) 3.17 1.37 0.32
assign ((resid 97 and name HN )) ( (resid 97 and name HD2* )) 5.07 3.27 0.51
assign ((resid 97 and name HA )) ( (resid 97 and name HD2* )) 4.60 2.80 0.46
assign ((resid 97 and name HB* )) ( (resid 97 and name HD2* )) 3.15 1.35 0.32
assign ((resid 97 and name HB* )) ( (resid 98 and name HN )) 3.89 2.09 0.39
assign ((resid 97 and name HB* )) ( (resid 98 and name HG2* )) 3.68 1.88 0.37
assign ((resid 101 and name HA )) ( (resid 102 and name HB* )) 4.68 2.88 0.47
assign ((resid 102 and name HN )) ( (resid 102 and name HB* )) 3.16 1.36 0.32
assign ((resid 102 and name HB* )) ( (resid 103 and name HN )) 3.62 1.82 0.36
assign ((resid 102 and name HB* )) ( (resid 103 and name HG2* )) 5.34 3.54 0.53
assign ((resid 103 and name HA )) ( (resid 104 and name HB* )) 4.26 2.46 0.43
assign ((resid 103 and name HG1* )) ( (resid 104 and name HB* )) 4.53 2.73 0.45
assign ((resid 104 and name HN )) ( (resid 104 and name HB* )) 3.04 1.24 0.30
assign ((resid 104 and name HB* )) ( (resid 105 and name HN )) 3.96 2.16 0.40
assign ((resid 104 and name HB* )) ( (resid 106 and name HG1* )) 4.23 2.43 0.42
assign ((resid 104 and name HB* )) ( (resid 106 and name HG2* )) 4.97 3.17 0.50
assign ((resid 106 and name HG2* )) ( (resid 108 and name HG* )) 4.22 2.42 0.42
assign ((resid 107 and name HB* )) ( (resid 108 and name HG* )) 5.04 3.24 0.50
assign ((resid 108 and name HN )) ( (resid 108 and name HG* )) 3.43 1.63 0.34
assign ((resid 108 and name HA )) ( (resid 108 and name HG* )) 3.37 1.57 0.34
list of removed NOE constraints
1-> VAL 8 HN - VAL 8 HB 1.80 4.57 # NoRestrctn I [2.00 4.30] -- intra
5-> VAL 16 HN - VAL 16 HB 1.80 4.33 # NoRestrctn I [2.00 4.30] -- intra
11-> THR 39 HN - THR 39 HB 1.80 4.46 # NoRestrctn I [2.00 4.30] -- intra
17-> VAL 55 HN - VAL 55 HB 1.80 4.55 # NoRestrctn I [2.00 4.30] -- intra
23-> VAL 83 HN - VAL 83 HB 1.80 4.52 # NoRestrctn I [2.00 4.30] -- intra
31-> PHE 3 HN - PHE 3 HB1 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
34-> LYS 11 HN - LYS 11 HB1 1.80 4.54 # NoRestrctn I [2.00 4.30] -- intra
36-> ASN 19 HN - ASN 19 HB2 1.80 4.57 # NoRestrctn I [2.00 4.30] -- intra
40-> TYR 24 HN - TYR 24 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
42-> HIS 27 HN - HIS 27 HB2 1.80 4.52 # NoRestrctn I [2.00 4.30] -- intra
43-> LYS 29 HN - LYS 29 HB2 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
45-> LYS 40 HN - LYS 40 HB1 1.80 4.41 # NoRestrctn I [2.00 4.30] -- intra
46-> TYR 44 HN - TYR 44 HB2 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
48-> TYR 50 HN - TYR 50 HB2 1.80 4.48 # NoRestrctn I [2.00 4.30] -- intra
50-> ASN 52 HN - ASN 52 HB* 1.80 4.00 # NoRestrctn I [2.29 3.93] -- intra
51-> TRP 53 HN - TRP 53 HB1 1.80 4.49 # NoRestrctn I [2.00 4.30] -- intra
52-> LEU 57 HN - LEU 57 HB2 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
53-> LYS 60 HN - LYS 60 HB2 1.80 4.61 # NoRestrctn I [2.00 4.30] -- intra
59-> TYR 77 HN - TYR 77 HB2 1.80 4.53 # NoRestrctn I [2.00 4.30] -- intra
61-> ASN 80 HN - ASN 80 HB1 1.80 4.48 # NoRestrctn I [2.00 4.30] -- intra
68-> PHE 101 HN - PHE 101 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
77-> ASN 19 HN - ASN 19 HB1 1.80 4.61 # NoRestrctn I [2.00 4.30] -- intra
81-> GLU 25 HN - GLU 25 HB1 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
82-> HIS 27 HN - HIS 27 HB1 1.80 4.52 # NoRestrctn I [2.00 4.30] -- intra
86-> SER 38 HN - SER 38 HB2 1.80 4.33 # NoRestrctn I [2.00 4.30] -- intra
91-> TYR 50 HN - TYR 50 HB1 1.80 4.48 # NoRestrctn I [2.00 4.30] -- intra
92-> LYS 51 HN - LYS 51 HB2 1.80 4.51 # NoRestrctn I [2.00 4.30] -- intra
94-> LYS 60 HN - LYS 60 HB1 1.80 4.61 # NoRestrctn I [2.00 4.30] -- intra
100-> TYR 77 HN - TYR 77 HB1 1.80 4.53 # NoRestrctn I [2.00 4.30] -- intra
109-> PHE 101 HN - PHE 101 HB2 1.80 4.48 # NoRestrctn I [2.00 4.30] -- intra
185-> THR 39 HN - THR 39 HA 1.80 3.23 # NoRestrctn I [2.22 2.95] -- intra
305-> LEU 65 HN - LEU 65 HB1 1.80 4.51 # NoRestrctn I [2.00 4.30] -- intra
318-> LYS 63 HN - LYS 63 HB1 1.80 4.36 # NoRestrctn I [2.00 4.30] -- intra
352-> ASN 19 HB2 - ASN 19 HD21 1.80 3.62 # NoRestrctn I [2.10 3.57] -- intra
353-> ASN 46 HB2 - ASN 46 HD21 1.80 4.25 # NoRestrctn I [2.10 3.57] -- intra
354-> ASN 19 HB1 - ASN 19 HD21 1.80 3.83 # NoRestrctn I [2.10 3.57] -- intra
355-> ASN 46 HB1 - ASN 46 HD21 1.80 4.25 # NoRestrctn I [2.10 3.57] -- intra
534-> GLU 86 HN - ASN 87 HA 1.80 5.40 # NoRestrctn S [2.00 3.99] -- sequential
613-> LYS 20 HN - LEU 21 HA 1.80 5.75 # NoRestrctn S [2.00 3.99] -- sequential
631-> ASN 96 HN - ASN 97 HA 1.80 5.41 # NoRestrctn S [2.00 3.99] -- sequential
642-> VAL 36 HN - PRO 37 HA 1.80 5.46 # NoRestrctn S [2.00 3.99] -- sequential
655-> ASP 14 HN - VAL 15 HA 1.80 5.67 # NoRestrctn S [2.00 3.99] -- sequential
697-> VAL 106 HN - LEU 107 HA 1.80 5.69 # NoRestrctn S [2.00 3.99] -- sequential
821-> VAL 16 HN - GLY 17 HA2 1.80 5.52 # NoRestrctn S [2.00 3.99] -- sequential
954-> LEU 107 HA - LEU 107 HB* 1.80 3.29 # FixedDistn I [0.00 0.00] -- intra
963-> ILE 45 HA - ILE 45 HG2* 1.80 3.79 # NoRestrctn I [2.63 3.78] -- intra
990-> LEU 49 HA - LEU 49 HG 1.80 4.63 # NoRestrctn I [2.06 4.26] -- intra
991-> LEU 65 HA - LEU 65 HG 1.80 4.39 # NoRestrctn I [2.06 4.26] -- intra
1010-> VAL 28 HN - VAL 28 HB 1.80 4.39 # NoRestrctn I [2.00 4.30] -- intra
1012-> SER 56 HA - SER 56 HB* 1.80 3.30 # FixedDistn I [0.00 0.00] -- intra
1021-> LEU 57 HA - LEU 57 HG 1.80 4.70 # NoRestrctn I [2.06 4.26] -- intra
1022-> LEU 92 HA - LEU 92 HG 1.80 4.64 # NoRestrctn I [2.06 4.26] -- intra
1038-> GLU 74 HB1 - GLU 74 HG1 1.80 3.30 # NoRestrctn I [1.99 3.26] -- intra
1040-> GLU 74 HB1 - GLU 74 HG2 1.80 3.30 # NoRestrctn I [1.99 3.26] -- intra
1045-> SER 38 HN - SER 38 HB1 1.80 4.33 # NoRestrctn I [2.00 4.30] -- intra
1108-> ILE 34 HB - ILE 34 HD1* 1.80 3.92 # NoRestrctn I [2.63 3.78] -- intra
1109-> ILE 45 HB - ILE 45 HD1* 1.80 3.82 # NoRestrctn I [2.63 3.78] -- intra
1110-> ILE 79 HB - ILE 79 HD1* 1.80 4.06 # NoRestrctn I [2.63 3.78] -- intra
1121-> ILE 34 HA - ILE 34 HG2* 1.80 3.87 # NoRestrctn I [2.63 3.78] -- intra
1130-> ILE 79 HA - ILE 79 HG2* 1.80 3.85 # NoRestrctn I [2.63 3.78] -- intra
1290-> ASN 97 HN - VAL 98 HA 1.80 5.94 # NoRestrctn S [2.00 3.99] -- sequential
2196-> GLU 9 HN - GLU 9 HB1 1.80 4.33 # NoRestrctn I [2.00 4.30] -- intra
2216-> LEU 6 HA - LEU 6 HG 1.80 4.48 # NoRestrctn I [2.06 4.26] -- intra
2249-> GLU 9 HA - GLU 9 HG* 1.80 4.49 # NoRestrctn I [2.23 4.01] -- intra
2550-> LEU 31 HN - GLY 32 HA* 1.80 5.15 # NoRestrctn S [2.00 3.55] -- sequential
2643-> LYS 60 HN - LYS 60 HB* 1.80 3.98 # NoRestrctn I [2.29 3.93] -- intra
2693-> TYR 77 HN - TYR 77 HB* 1.80 3.97 # NoRestrctn I [2.15 3.88] -- intra
2748-> GLU 91 HA - GLU 91 HG* 1.80 4.06 # NoRestrctn I [2.23 4.01] -- intra
====== TOTAL ======: 68
table of distance constraints violations
Residual Violations greater than 0.10
619-> VAL 43 HN - TYR 50 HD* [ 1.80 5.10] 0.00 0.08 0.10 0.02 0.05 0.02 0.00 0.08 0.05 0.05 0.00 0.00 0.04 0.00 0.04 0.00 0.00 0.03 0.00 0.10 - 12 [ 0.02 .. 0.10]
693-> LEU 107 HB* - GLU 108 HN [ 1.80 3.55] 0.00 0.03 0.16 0.00 0.00 0.08 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.07 0.00 0.00 0.00 - 6 [ 0.02 .. 0.16]
815-> ASN 87 HN - VAL 89 HN [ 1.80 4.91] 0.01 0.00 0.12 0.00 0.00 0.00 0.02 0.00 0.00 0.07 0.00 0.00 0.00 0.03 0.00 0.00 0.03 0.09 0.06 0.00 - 8 [ 0.01 .. 0.12]
829-> VAL 28 HN - LYS 29 HG3 [ 1.80 6.05] 0.06 0.12 0.06 0.12 0.06 0.13 0.10 0.09 0.06 0.08 0.05 0.06 0.04 0.06 0.11 0.01 0.12 0.07 0.11 0.02 - 20 [ 0.01 .. 0.13]
922-> ILE 45 HG2* - ASN 46 HD22 [ 1.80 5.31] 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
998-> LYS 29 HA - LYS 29 HD3 [ 1.80 4.63] 0.05 0.13 0.08 0.15 0.08 0.01 0.13 0.06 0.04 0.12 0.12 0.08 0.08 0.08 0.06 0.02 0.11 0.07 0.06 0.04 - 20 [ 0.01 .. 0.15]
1288-> VAL 41 HA - ALA 81 HB* [ 1.80 5.01] 0.04 0.00 0.04 0.04 0.13 0.08 0.06 0.08 0.06 0.12 0.09 0.07 0.07 0.05 0.03 0.07 0.07 0.08 0.15 0.04 - 19 [ 0.03 .. 0.15]
1409-> THR 82 HB - GLU 85 HB2 [ 1.80 5.20] 0.03 0.00 0.03 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.06 0.06 0.11 0.00 0.00 0.07 0.00 0.01 - 9 [ 0.01 .. 0.11]
1995-> LYS 20 HE* - LEU 21 HD1* [ 1.80 6.05] 0.06 0.11 0.06 0.09 0.00 0.06 0.04 0.05 0.07 0.06 0.09 0.05 0.07 0.06 0.08 0.08 0.08 0.04 0.05 0.02 - 19 [ 0.02 .. 0.11]
2019-> ASP 84 HA - GLU 85 HG* [ 1.80 5.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
2129-> GLU 23 HG2 - THR 66 HG2* [ 1.80 5.03] 0.11 0.13 0.13 0.14 0.12 0.11 0.12 0.14 0.15 0.12 0.13 0.10 0.09 0.13 0.13 0.14 0.12 0.16 0.10 0.11 - 20 [ 0.09 .. 0.16]
2187-> ILE 10 HA - LYS 11 HB3 [ 1.80 5.61] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 - 2 [ 0.06 .. 0.10]
2194-> LYS 63 HE3 - LEU 65 HD2* [ 1.80 5.67] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.04 0.13 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.03 .. 0.13]
2250-> GLU 9 HB3 - HIS 27 HB3 [ 1.80 4.87] 0.00 0.02 0.01 0.08 0.01 0.00 0.07 0.07 0.03 0.08 0.01 0.05 0.00 0.03 0.03 0.10 0.00 0.01 0.07 0.06 - 17 [ 0.00 .. 0.10]
2503-> ASP 14 HB* - VAL 103 HA [ 1.80 4.83] 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 0.03 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.11]
2564-> ILE 34 HN - LYS 60 HG* [ 1.80 5.05] 0.00 0.04 0.14 0.02 0.07 0.12 0.04 0.09 0.00 0.02 0.07 0.10 0.12 0.03 0.00 0.00 0.03 0.00 0.00 0.00 - 14 [ 0.00 .. 0.14]
2652-> LYS 63 HA - LYS 63 HE* [ 1.80 4.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.12 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.22 0.00 - 4 [ 0.12 .. 0.22]
2655-> LYS 63 HB3 - LYS 63 HE* [ 1.80 3.88] 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.02 .. 0.20]
-------------------------------------------
Number of Violations greater than 0.10 1 4 5 3 2 5 2 2 2 4 2 2 1 1 5 2 4 1 3 2
-------------------------------------------
---- 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: 1 4 5 3 2 5 2 2 2 4 2 2 1 1 5 2 4 1 2 2 2.60
0.2 - 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 : 55 48 48 61 47 59 55 52 39 54 56 52 54 47 67 60 59 46 56 58 53.65
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 : 0.115 0.131 0.162 0.147 0.125 0.197 0.130 0.137 0.169 0.125 0.131 0.104 0.117 0.131 0.149 0.136 0.164 0.158 0.219 0.110 0.219
Max Intra Viol : 0.050 0.131 0.080 0.147 0.077 0.197 0.130 0.059 0.169 0.121 0.117 0.082 0.080 0.079 0.149 0.042 0.105 0.068 0.219 0.045 0.219
Max Seque Viol : 0.070 0.118 0.162 0.116 0.056 0.125 0.100 0.104 0.069 0.082 0.085 0.061 0.096 0.059 0.111 0.085 0.164 0.074 0.113 0.049 0.164
Max Medium Viol : 0.032 0.089 0.122 0.074 0.038 0.075 0.093 0.068 0.013 0.080 0.062 0.040 0.060 0.068 0.130 0.068 0.063 0.094 0.067 0.078 0.130
Max Long Viol : 0.115 0.131 0.140 0.139 0.125 0.122 0.118 0.137 0.152 0.125 0.131 0.104 0.117 0.131 0.132 0.136 0.121 0.158 0.146 0.110 0.158
Average Violation : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.000 0.001 0.001 0.001 0.001 0.000 0.001 0.001 0.001 0.001 0.001 0.001 0.00066
Avge Intra Viol : 0.000 0.000 0.000 0.000 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 0.001 0.000 0.00033
Avge Seque Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.001 0.000 0.000 0.001 0.000 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.00033
Avge Mediu Viol : 0.001 0.001 0.002 0.001 0.000 0.002 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.000 0.001 0.000 0.00100
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 0.00093
RMS Violation : 0.005 0.006 0.007 0.007 0.006 0.008 0.006 0.006 0.006 0.007 0.006 0.005 0.006 0.005 0.007 0.006 0.008 0.006 0.007 0.005 0.00641
RMS Intra : 0.004 0.005 0.005 0.006 0.004 0.009 0.005 0.003 0.007 0.007 0.005 0.004 0.004 0.003 0.007 0.002 0.006 0.003 0.010 0.003 0.00556
RMS Sequential : 0.002 0.004 0.005 0.004 0.003 0.004 0.005 0.003 0.001 0.006 0.003 0.002 0.002 0.004 0.008 0.003 0.004 0.005 0.005 0.004 0.00420
RMS Medium range : 0.008 0.011 0.014 0.010 0.003 0.011 0.008 0.010 0.006 0.006 0.007 0.006 0.009 0.005 0.009 0.006 0.016 0.005 0.008 0.004 0.00867
RMS Long range : 0.007 0.006 0.008 0.008 0.008 0.009 0.007 0.007 0.006 0.008 0.008 0.007 0.008 0.006 0.007 0.007 0.007 0.007 0.007 0.006 0.00717
Final --global-- Summary for 20 models, 2787 NOEs/model, 55740 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 36.875
Summ sq. viol : 2.287
Maximum viol : 0.219
Average viol : 0.00066
RMSD viol : 0.00641
Std. Dev. viol : 0.00637
RMS Intra : 0.00556
RMS Seque : 0.00420
RMS Medi : 0.00867
RMS Long : 0.00717
table of dihedral angle constraints violations
1-> [GLU A 2] PHI -135.0 -88.2 0.0 0.1 0.5 0.0 0.0 0.0 0.0 0.1 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 - 5 [ 0.0 .. 1.6]
3-> [PHE A 3] PHI -138.5 -113.7 0.0 0.8 1.5 0.0 0.0 0.0 0.5 0.6 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.7 1.1 0.0 - 7 [ 0.0 .. 1.5]
5-> [PRO A 4] PSI 136.4 172.8 2.4 3.0 3.2 1.4 1.2 2.9 2.6 1.0 0.3 0.6 2.1 2.2 1.1 1.2 1.6 0.0 0.9 0.6 1.7 1.7 - 19 [ 0.0 .. 3.2]
9-> [VAL A 8] PSI 149.2 165.2 1.2 0.6 1.3 1.3 1.5 0.3 1.0 0.7 0.5 0.6 1.1 2.3 0.8 0.8 1.1 0.0 0.0 0.3 0.0 1.4 - 17 [ 0.0 .. 2.3]
15-> [LYS A 11] PSI 132.3 162.3 0.0 0.0 0.0 0.0 0.0 0.0 0.7 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 1.3 - 4 [ 0.0 .. 1.3]
19-> [VAL A 16] PSI 136.2 163.1 0.3 0.0 0.8 0.1 1.0 0.1 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.2 1.1 0.3 0.0 0.2 - 11 [ 0.0 .. 1.1]
27-> [ALA A 22] PSI 133.0 156.2 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.3 0.8 0.3 0.6 1.5 0.4 0.7 0.3 0.2 0.0 0.0 0.0 0.0 - 10 [ 0.0 .. 1.5]
30-> [TYR A 24] PHI -141.9 -123.4 1.5 1.1 0.0 1.1 0.8 1.2 1.0 0.0 1.2 0.0 0.0 0.9 1.9 0.0 0.6 1.5 1.4 0.0 0.0 0.0 - 12 [ 0.0 .. 1.9]
31-> [TYR A 24] PSI 151.3 166.2 1.1 0.3 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.1]
32-> [GLU A 25] PHI -142.8 -122.0 0.2 0.8 2.1 1.1 0.6 1.6 0.7 2.7 1.9 2.0 2.3 1.6 1.7 1.7 1.9 1.0 1.6 2.4 2.2 1.4 - 20 [ 0.2 .. 2.7]
33-> [GLU A 25] PSI 128.1 157.9 0.0 0.6 0.7 0.8 0.4 0.8 0.5 0.5 0.9 0.6 0.1 0.5 1.0 0.6 0.8 0.0 0.3 0.3 0.5 0.3 - 18 [ 0.0 .. 1.0]
35-> [VAL A 26] PSI 115.1 130.4 0.3 2.0 2.1 0.0 1.3 1.0 1.6 2.5 2.4 2.3 2.0 1.8 1.4 0.0 0.3 0.0 2.5 0.0 2.1 0.0 - 15 [ 0.0 .. 2.5]
38-> [VAL A 28] PHI -124.1 -106.6 0.0 0.8 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.1 0.4 0.0 0.0 1.0 0.0 0.5 0.4 0.5 0.0 - 9 [ 0.0 .. 1.1]
39-> [VAL A 28] PSI 123.9 136.0 1.0 0.4 1.8 0.0 0.9 1.5 0.8 0.0 0.0 0.0 0.2 0.7 1.1 0.4 0.0 0.0 0.0 1.1 0.0 1.4 - 12 [ 0.0 .. 1.8]
43-> [ASN A 30] PSI 130.4 162.2 0.0 3.7 3.1 3.9 2.0 2.9 2.0 3.2 1.9 3.4 1.8 3.5 2.3 2.8 2.9 1.7 3.0 1.7 3.2 1.8 - 19 [ 0.0 .. 3.9]
44-> [GLY A 33] PHI 46.9 87.4 1.3 0.2 0.0 0.5 0.2 0.0 0.1 0.0 0.0 0.4 0.1 0.4 0.0 0.4 0.5 0.0 0.0 0.0 0.8 0.1 - 12 [ 0.0 .. 1.3]
46-> [ILE A 34] PHI -136.9 -108.4 0.0 1.2 1.6 0.0 0.8 2.8 0.0 0.6 0.0 0.0 0.6 0.2 0.8 0.0 1.3 0.0 0.0 0.8 0.5 0.5 - 12 [ 0.0 .. 2.8]
49-> [VAL A 36] PSI 114.4 154.0 0.0 0.0 0.0 0.0 0.7 0.0 0.8 0.0 0.6 0.8 0.0 0.0 0.0 1.4 0.0 0.0 0.4 0.0 1.2 1.4 - 9 [ 0.0 .. 1.4]
50-> [PRO A 37] PSI -28.8 -12.2 1.7 0.1 1.8 0.9 2.5 0.8 1.9 0.2 1.1 1.7 1.3 0.0 2.4 1.3 1.2 1.0 2.4 2.0 1.4 0.8 - 20 [ 0.0 .. 2.5]
51-> [SER A 38] PHI -111.9 -82.0 0.0 0.4 1.4 1.4 0.0 0.9 1.6 0.0 0.8 0.0 0.8 1.0 0.3 0.0 1.0 1.3 1.1 0.0 0.0 1.8 - 15 [ 0.0 .. 1.8]
52-> [SER A 38] PSI -20.9 5.0 8.3 8.5 7.5 6.4 7.0 6.4 7.0 8.4 7.1 8.2 6.9 6.7 7.0 8.3 6.5 6.8 5.6 6.9 6.2 6.6 - 20 [ 5.6 .. 8.5]
53-> [THR A 39] PHI -128.9 -96.1 8.7 9.6 8.5 6.6 8.3 9.2 7.6 9.6 7.2 8.3 7.2 7.5 8.9 8.7 7.2 7.5 8.0 7.3 6.0 7.8 - 20 [ 6.0 .. 9.6]
57-> [VAL A 41] PHI -130.9 -104.9 0.0 0.6 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.7 0.0 0.0 1.2 - 5 [ 0.0 .. 1.2]
59-> [ARG A 42] PHI -141.1 -115.7 0.0 0.0 0.0 0.0 0.0 0.8 0.0 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]
61-> [VAL A 43] PHI -139.2 -122.2 1.3 2.0 1.6 0.9 1.2 0.6 1.1 2.0 1.3 1.0 1.0 1.0 1.7 0.2 1.8 0.6 0.0 1.9 1.3 1.7 - 19 [ 0.0 .. 2.0]
62-> [VAL A 43] PSI 120.7 146.8 0.0 0.5 0.0 0.5 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 0.2 0.0 0.0 - 5 [ 0.0 .. 1.0]
64-> [TYR A 44] PSI 137.7 163.4 0.9 0.3 0.6 0.0 0.0 0.0 0.9 0.9 0.0 0.2 0.7 1.2 0.0 0.6 0.0 0.0 0.0 0.0 1.2 0.7 - 11 [ 0.0 .. 1.2]
68-> [ASN A 46] PSI 35.1 48.0 0.2 0.6 1.0 0.0 1.0 1.2 0.4 0.1 0.0 1.5 1.0 1.3 0.4 0.7 1.0 0.2 0.3 0.6 1.4 0.2 - 18 [ 0.0 .. 1.5]
74-> [TYR A 50] PSI -42.6 -33.4 2.6 1.3 1.0 0.7 1.4 0.8 2.8 1.3 1.3 1.4 2.5 1.0 1.0 0.5 1.1 2.5 2.8 1.5 1.2 1.5 - 20 [ 0.5 .. 2.8]
75-> [LYS A 51] PHI -169.7 -145.5 0.3 0.0 0.0 0.0 0.0 0.0 2.2 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 1.6 1.3 0.7 0.0 0.0 - 6 [ 0.0 .. 2.2]
80-> [TRP A 53] PSI 133.9 148.6 0.0 0.2 0.1 0.0 0.3 0.7 0.6 0.8 0.0 0.0 0.0 0.0 0.2 0.9 0.2 0.9 0.0 0.5 0.0 1.1 - 13 [ 0.0 .. 1.1]
82-> [THR A 54] PSI 120.6 150.1 1.4 2.1 2.5 2.4 1.4 1.9 1.7 1.4 2.8 2.5 3.6 1.5 1.3 0.6 3.4 1.1 2.0 1.3 1.8 1.1 - 20 [ 0.6 .. 3.6]
84-> [VAL A 55] PSI 161.4 172.5 0.3 1.0 2.1 0.4 1.4 1.0 0.5 0.9 1.9 0.8 1.5 2.3 0.9 0.5 0.4 1.1 0.0 0.3 0.0 1.1 - 19 [ 0.0 .. 2.3]
86-> [SER A 56] PSI 134.1 153.7 1.7 0.0 0.0 0.0 0.5 1.5 0.9 0.0 0.0 1.2 0.4 0.0 0.0 0.0 0.2 0.0 0.7 0.2 0.1 0.0 - 10 [ 0.0 .. 1.7]
87-> [LEU A 57] PHI -148.0 -118.6 0.3 0.4 1.1 1.6 1.3 0.3 0.0 1.2 0.0 0.0 1.6 0.8 1.2 0.0 0.0 1.0 0.1 1.8 0.0 0.9 - 14 [ 0.0 .. 1.8]
88-> [LEU A 57] PSI 121.8 141.8 2.1 2.0 0.4 2.2 1.4 2.8 2.2 1.7 2.4 0.3 1.4 1.2 3.0 2.9 1.4 2.8 2.9 1.4 2.7 1.7 - 20 [ 0.3 .. 3.0]
91-> [GLU A 62] PHI -134.6 -104.7 0.0 0.6 0.0 0.0 0.0 0.4 0.5 0.9 0.3 0.0 0.4 0.0 0.8 0.0 1.5 0.0 0.0 0.0 0.0 0.1 - 10 [ 0.0 .. 1.5]
95-> [VAL A 64] PHI -119.7 -101.4 0.4 0.0 0.4 0.4 1.4 0.0 0.2 1.3 0.0 0.0 1.1 0.7 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 - 10 [ 0.0 .. 1.4]
96-> [VAL A 64] PSI 114.0 125.5 0.7 0.4 1.8 0.0 0.7 1.0 1.2 0.0 0.0 2.0 0.0 0.0 0.8 0.8 1.0 0.0 0.0 0.8 0.9 0.4 - 13 [ 0.0 .. 2.0]
98-> [LEU A 65] PSI 126.3 146.0 0.5 0.0 0.6 0.7 0.2 0.0 1.7 0.0 0.2 0.7 0.5 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 9 [ 0.0 .. 1.7]
99-> [THR A 66] PHI -137.9 -114.1 0.0 0.2 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.8 0.0 1.1 0.0 0.3 1.2 0.3 0.0 1.9 0.7 0.0 - 9 [ 0.0 .. 1.9]
102-> [PHE A 67] PSI 149.3 162.1 1.0 0.5 0.6 0.0 0.0 0.7 1.4 0.8 0.0 0.0 0.6 0.9 0.8 0.7 1.0 0.7 1.0 0.4 0.3 0.0 - 15 [ 0.0 .. 1.4]
103-> [SER A 68] PHI -140.7 -111.1 0.1 0.0 0.0 0.9 1.1 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.1 0.0 0.0 0.6 0.0 0.8 0.9 0.0 - 8 [ 0.0 .. 1.1]
104-> [SER A 68] PSI 115.7 156.1 0.5 1.4 0.9 0.4 1.4 0.4 0.0 1.5 1.0 1.4 1.6 2.2 0.7 0.0 1.0 0.4 0.8 2.0 0.2 0.0 - 17 [ 0.0 .. 2.2]
106-> [TRP A 69] PSI 121.2 136.5 0.0 0.7 0.2 0.1 1.7 1.5 0.1 0.0 1.0 0.0 0.7 0.0 0.9 0.3 0.8 0.4 0.2 0.6 0.7 1.0 - 16 [ 0.0 .. 1.7]
108-> [THR A 70] PSI 101.7 126.1 1.0 0.0 1.0 0.0 0.0 0.6 0.8 0.9 0.0 0.7 0.9 1.0 0.0 0.9 0.2 0.0 0.4 1.4 0.3 1.2 - 14 [ 0.0 .. 1.4]
112-> [GLU A 74] PSI 112.4 149.6 0.0 1.6 0.8 0.7 0.0 1.6 2.1 1.4 0.3 1.3 2.0 0.0 0.6 1.2 1.3 2.3 1.7 1.5 1.3 2.5 - 17 [ 0.0 .. 2.5]
114-> [GLY A 75] PSI 160.4 -168.3 0.0 0.0 0.0 0.0 1.3 0.0 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 - 3 [ 0.0 .. 1.3]
119-> [ARG A 78] PHI -123.1 -92.9 0.0 0.5 1.1 0.0 0.0 0.0 0.0 0.6 0.0 0.7 0.2 1.4 0.0 0.0 0.0 0.0 0.0 0.1 0.5 0.0 - 8 [ 0.0 .. 1.4]
121-> [ILE A 79] PHI -115.9 -96.0 0.0 2.2 0.1 0.0 0.0 0.3 0.6 0.0 0.0 0.0 0.0 0.0 0.3 0.7 0.6 0.0 0.6 0.0 1.0 0.0 - 9 [ 0.0 .. 2.2]
125-> [ALA A 81] PHI -141.4 -112.6 0.0 1.3 0.0 0.5 0.0 0.8 0.0 0.0 0.3 0.2 0.3 0.0 0.1 0.5 0.0 0.0 0.3 0.0 0.8 0.7 - 11 [ 0.0 .. 1.3]
126-> [ALA A 81] PSI 133.6 160.6 0.8 0.5 0.0 0.7 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.7 0.0 0.1 0.0 0.0 0.0 1.2 - 7 [ 0.0 .. 1.2]
127-> [THR A 82] PHI -137.6 -123.8 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 1.0 0.0 - 4 [ 0.0 .. 1.0]
128-> [THR A 82] PSI 141.4 163.7 0.0 1.1 0.0 1.1 0.0 0.0 0.4 0.0 0.4 0.0 0.0 0.0 0.0 0.3 0.0 0.7 0.5 0.0 1.0 0.3 - 9 [ 0.0 .. 1.1]
129-> [VAL A 83] PHI -149.2 -101.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3]
130-> [VAL A 83] PSI 142.3 170.8 1.2 1.5 0.0 0.0 0.5 1.8 0.3 1.8 3.1 2.7 2.1 2.7 0.5 0.4 2.8 1.7 3.9 0.0 0.6 2.3 - 17 [ 0.0 .. 3.9]
132-> [GLU A 85] PSI -46.0 -33.9 4.4 3.9 2.9 1.3 3.8 0.9 5.4 1.0 0.2 1.2 3.0 2.1 1.1 1.2 0.8 1.9 0.0 2.3 1.0 2.2 - 19 [ 0.0 .. 5.4]
133-> [GLU A 86] PHI -92.3 -68.2 3.0 0.6 1.8 0.5 1.3 0.0 2.6 0.4 0.0 2.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 - 10 [ 0.0 .. 3.0]
136-> [VAL A 89] PSI 112.7 141.0 0.7 0.1 0.6 2.6 2.6 0.0 0.2 3.1 2.2 2.6 1.3 2.4 0.0 3.1 0.7 1.5 1.0 2.3 1.0 2.9 - 18 [ 0.0 .. 3.1]
137-> [VAL A 90] PHI -105.1 -84.0 0.0 0.5 0.0 0.0 0.8 0.0 0.0 0.6 2.5 1.6 1.3 1.4 0.0 1.2 0.0 1.4 0.0 0.7 0.1 2.2 - 12 [ 0.0 .. 2.5]
139-> [GLU A 91] PHI -141.9 -92.7 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.3 0.0 0.8 1.5 0.0 0.1 0.0 0.0 0.9 - 7 [ 0.0 .. 1.5]
142-> [LEU A 92] PSI -38.1 -16.2 1.5 1.1 1.5 0.0 0.9 0.7 1.8 0.0 0.6 0.9 0.7 0.0 0.0 0.7 1.0 0.0 0.0 2.9 1.2 1.4 - 14 [ 0.0 .. 2.9]
143-> [GLU A 94] PHI -129.0 -84.9 1.1 1.7 1.4 0.0 0.0 0.5 1.2 2.1 0.0 0.8 1.5 1.5 0.0 1.9 1.8 1.8 1.2 0.6 1.2 1.8 - 16 [ 0.0 .. 2.1]
144-> [GLU A 94] PSI -23.7 30.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.1 0.0 0.0 1.2 0.5 0.0 0.0 0.0 - 5 [ 0.0 .. 1.2]
147-> [ASN A 96] PHI -113.2 -87.3 0.5 0.6 0.7 0.0 1.6 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.5 0.0 0.5 0.0 0.0 0.0 0.0 0.0 - 7 [ 0.0 .. 1.6]
151-> [ALA A 99] PHI -145.2 -114.9 0.0 0.6 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.5 0.0 - 4 [ 0.0 .. 1.2]
152-> [ALA A 99] PSI 115.8 142.5 0.0 0.4 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.4 1.6 0.3 0.2 0.7 0.6 0.0 0.3 0.0 0.0 1.5 - 10 [ 0.0 .. 1.6]
153-> [THR A 100] PHI -128.2 -105.2 0.0 0.0 0.0 0.0 1.1 0.0 0.6 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 - 3 [ 0.0 .. 1.1]
156-> [PHE A 101] PSI 118.1 140.4 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.6 0.8 0.0 0.0 0.4 0.0 1.2 0.0 0.0 0.4 0.6 1.0 0.0 - 8 [ 0.0 .. 1.2]
166-> [VAL A 106] PSI 144.9 167.3 0.0 0.0 0.4 0.0 1.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.0]
---- 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 : 20 20 23 15 26 19 22 18 16 18 25 22 15 14 22 19 19 18 20 28 19.95
> 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 : 45 68 56 47 54 54 54 48 42 53 53 51 49 52 56 40 48 56 51 51 51.40
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 : 8.7 9.6 8.5 6.6 8.3 9.2 7.6 9.6 7.2 8.3 7.2 7.5 8.9 8.7 7.2 7.5 8.0 7.3 6.2 7.8 9.65
Max PHI Viol : 8.7 9.6 8.5 6.6 8.3 9.2 7.6 9.6 7.2 8.3 7.2 7.5 8.9 8.7 7.2 7.5 8.0 7.3 6.0 7.8 9.65
Max PSI Viol : 8.3 8.5 7.5 6.4 7.0 6.4 7.0 8.4 7.1 8.2 6.9 6.7 7.0 8.3 6.5 6.8 5.6 6.9 6.2 6.6 8.54
Average Violation : 0.4 0.4 0.4 0.3 0.4 0.4 0.4 0.4 0.3 0.4 0.4 0.4 0.3 0.3 0.4 0.3 0.4 0.4 0.3 0.4 0.372
Avge PHI Viol : 0.490 0.604 0.578 0.489 0.538 0.533 0.532 0.560 0.459 0.501 0.522 0.520 0.507 0.478 0.565 0.497 0.523 0.533 0.503 0.535 0.524
Avge PSI Viol : 0.684 0.721 0.725 0.615 0.705 0.693 0.738 0.662 0.656 0.723 0.738 0.702 0.621 0.669 0.666 0.617 0.663 0.662 0.659 0.725 0.683
RMS Violation : 1.151 1.235 1.151 0.927 1.074 1.089 1.127 1.191 1.003 1.131 1.060 1.048 1.033 1.096 0.998 0.975 1.032 1.004 0.908 1.060 1.068
RMS PHI Viol : 1.066 1.178 1.084 0.828 1.013 1.120 0.983 1.188 0.902 1.009 0.927 0.937 1.065 1.026 0.953 0.933 0.979 0.953 0.790 1.013 1.002
RMS PSI Viol : 1.228 1.288 1.212 1.015 1.131 1.058 1.251 1.194 1.093 1.239 1.176 1.146 1.000 1.160 1.040 1.013 1.081 1.051 1.010 1.104 1.128
Final --global-- Summary for 20 models, 166 ACOs/model, 3320 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 1235.40
Summ. Sq. Viol. : 3785.11
Max. Viol. : 9.649
Avg. Viol. : 0.37211
RMS Viol. : 1.06775
Std. Dev. Viol. : 1.00081
JPEG image for inter-residue distance constraints per residue plot
S(phi)|S(psi) V/S Residue number
Text output from PDBStat of phi psi order
# CHAIN .GT. SUM.GT.
# RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6
# -----------------------------------------------------------------------------------
MET A 1 0.959 0.507 0.329 0.558
GLU A 2 0.994 0.985 0.995 0.997 0.981 2 2
PHE A 3 0.997 0.992 0.996 0.898 3 3
PRO A 4 0.998 1.000 0.973 0.939 4 4
ASP A 5 0.992 0.992 0.997 0.524 5 5
LEU A 6 0.993 0.966 0.999 0.999 6 6
THR A 7 0.970 0.996 0.998 7 7
VAL A 8 0.996 1.000 0.999 8 8
GLU A 9 0.997 0.990 0.994 0.938 0.316 9 9
ILE A 10 0.991 0.995 1.000 1.000 10 10
LYS A 11 0.997 0.995 0.880 0.562 0.993 0.320 11 11
GLY A 12 0.997 0.997 12 12
PRO A 13 0.999 0.992 0.988 0.976 13 13
ASP A 14 0.994 0.970 0.523 0.240 14 14
VAL A 15 0.993 0.997 1.000 15 15
VAL A 16 0.998 0.999 1.000 16 16
GLY A 17 0.998 0.996 17 17
VAL A 18 0.999 0.999 0.999 18 18
ASN A 19 0.999 0.997 0.996 0.914 19 19
LYS A 20 0.994 0.985 0.997 0.999 1.000 0.925 20 20
LEU A 21 0.991 0.992 0.999 1.000 21 21
ALA A 22 0.992 0.998 22 22
GLU A 23 0.994 0.997 0.998 0.997 0.230 23 23
TYR A 24 0.999 0.997 0.999 0.996 24 24
GLU A 25 1.000 1.000 0.996 0.890 0.522 25 25
VAL A 26 0.997 0.998 1.000 26 26
HIS A 27 0.998 0.999 0.998 0.991 27 27
VAL A 28 0.998 0.998 0.999 28 28
LYS A 29 0.997 0.998 0.999 0.995 0.945 0.216 29 29
ASN A 30 0.997 0.999 1.000 1.000 30 30
LEU A 31 0.998 0.986 0.999 0.999 31 31
GLY A 32 0.987 0.998 32 32
GLY A 33 0.998 0.999 33 33
ILE A 34 1.000 0.998 0.997 0.999 34 34
GLY A 35 0.998 0.996 35 35
VAL A 36 0.999 0.999 1.000 36 36
PRO A 37 0.999 1.000 0.996 0.986 37 37
SER A 38 0.999 1.000 0.414 38 38
THR A 39 1.000 0.992 0.999 39 39
LYS A 40 0.993 0.998 0.997 0.996 0.875 0.567 40 40
VAL A 41 0.997 0.994 1.000 41 41
ARG A 42 0.995 0.997 0.923 0.991 0.738 0.811 0.999 42 42
VAL A 43 1.000 0.997 0.999 43 43
TYR A 44 0.997 0.999 0.997 0.211 44 44
ILE A 45 0.997 0.999 1.000 1.000 45 45
ASN A 46 0.999 1.000 0.941 0.924 46 46
GLY A 47 0.996 0.980 47 47
THR A 48 0.988 0.997 0.999 48 48
LEU A 49 0.999 0.996 1.000 1.000 49 49
TYR A 50 0.992 1.000 0.995 0.997 50 50
LYS A 51 0.993 0.998 0.995 0.890 0.539 0.535 51 51
ASN A 52 0.993 0.996 0.989 0.782 52 52
TRP A 53 0.999 0.998 0.998 0.995 53 53
THR A 54 0.996 1.000 0.999 54 54
VAL A 55 0.999 1.000 1.000 55 55
SER A 56 0.997 0.999 0.852 56 56
LEU A 57 0.999 1.000 0.999 0.999 57 57
GLY A 58 0.999 0.998 58 58
PRO A 59 0.999 0.996 0.990 0.974 59 59
LYS A 60 0.999 0.984 0.999 0.591 0.988 0.208 60 60
GLU A 61 0.986 0.999 0.996 0.756 0.207 61 61
GLU A 62 0.999 0.996 0.997 0.993 0.427 62 62
LYS A 63 0.991 0.993 0.984 0.748 0.593 0.583 63 63
VAL A 64 0.995 0.999 1.000 64 64
LEU A 65 0.998 0.990 0.998 1.000 65 65
THR A 66 0.991 0.998 0.997 66 66
PHE A 67 0.998 1.000 0.999 0.800 67 67
SER A 68 0.999 0.994 0.861 68 68
TRP A 69 0.989 1.000 0.999 0.997 69 69
THR A 70 0.997 0.999 0.999 70 70
PRO A 71 0.998 0.989 1.000 1.000 71 71
THR A 72 0.994 0.975 0.996 72 72
GLN A 73 0.967 0.995 0.766 0.520 0.411 73 73
GLU A 74 0.992 0.998 0.981 0.599 0.679 74 74
GLY A 75 0.997 0.996 75 75
MET A 76 0.996 0.992 0.639 0.295 0.339 76 76
TYR A 77 0.992 0.968 0.998 0.799 77 77
ARG A 78 0.976 0.998 0.989 0.919 0.426 0.766 0.998 78 78
ILE A 79 0.999 0.997 1.000 1.000 79 79
ASN A 80 0.997 0.993 0.998 0.954 80 80
ALA A 81 0.993 0.997 81 81
THR A 82 0.998 0.994 0.997 82 82
VAL A 83 0.987 0.998 0.999 83 83
ASP A 84 0.994 0.986 0.947 0.818 84 84
GLU A 85 0.998 0.998 0.927 0.567 0.484 85 85
GLU A 86 0.997 0.993 0.871 0.524 0.274 86 86
ASN A 87 0.997 0.972 0.624 0.129 87 87
THR A 88 0.948 0.978 0.998 88 88
VAL A 89 0.975 1.000 0.999 89 89
VAL A 90 0.997 0.998 1.000 90 90
GLU A 91 0.991 0.988 0.994 0.482 0.292 91 91
LEU A 92 0.992 0.996 0.999 1.000 92 92
ASN A 93 0.983 0.948 0.843 0.759 93 93
GLU A 94 0.962 0.966 0.209 0.500 0.288 94 94
ASN A 95 0.982 0.978 0.518 0.209 95 95
ASN A 96 0.989 0.986 0.571 0.853 96 96
ASN A 97 0.994 0.976 0.994 0.880 97 97
VAL A 98 0.990 0.996 1.000 98 98
ALA A 99 0.993 0.998 99 99
THR A 100 0.993 0.996 0.998 100 100
PHE A 101 0.995 0.992 0.999 0.702 101 101
ASP A 102 0.995 0.995 0.393 0.248 102 102
VAL A 103 0.996 0.995 1.000 103 103
SER A 104 0.994 0.997 0.999 104 104
VAL A 105 0.998 0.998 0.999 105 105
VAL A 106 0.994 0.998 0.999 106 106
LEU A 107 0.995 0.959 0.999 0.999 107 107
GLU A 108 0.792 0.930 0.991 0.354
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 `PFR193A_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 1 is: 0.244 (*)
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 2 is: 0.358
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 3 is: 0.441
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 4 is: 0.423
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 5 is: 0.473
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 6 is: 0.401
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 7 is: 0.411
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 8 is: 0.438
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 9 is: 0.387
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 10 is: 0.287
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 11 is: 0.382
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 12 is: 0.342
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 13 is: 0.464
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 14 is: 0.321
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 15 is: 0.323
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 16 is: 0.395
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 17 is: 0.341
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 18 is: 0.292
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 19 is: 0.392
> Kabsch RMSD of backbone atoms in res. A[2..107],for model 20 is: 0.375
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[2..107], is: 0.375
> Range of RMSD values to reference struct. is 0.244 to 0.473
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 1 is: 0.555 (*)
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 2 is: 0.627
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 3 is: 0.676
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 4 is: 0.730
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 5 is: 0.695
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 6 is: 0.643
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 7 is: 0.611
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 8 is: 0.728
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 9 is: 0.640
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 10 is: 0.632
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 11 is: 0.673
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 12 is: 0.667
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 13 is: 0.758
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 14 is: 0.621
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 15 is: 0.653
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 16 is: 0.744
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 17 is: 0.709
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 18 is: 0.564
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 19 is: 0.623
> Kabsch RMSD of heavy atoms in res. A[2..107],for model 20 is: 0.673
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[2..107], is: 0.661
> Range of RMSD values to reference struct. is 0.555 to 0.758
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..108],for model 1 is: 0.264 (*)
> Kabsch RMSD of backb atoms in res. *[1..108],for model 2 is: 0.388
> Kabsch RMSD of backb atoms in res. *[1..108],for model 3 is: 0.465
> Kabsch RMSD of backb atoms in res. *[1..108],for model 4 is: 0.437
> Kabsch RMSD of backb atoms in res. *[1..108],for model 5 is: 0.506
> Kabsch RMSD of backb atoms in res. *[1..108],for model 6 is: 0.404
> Kabsch RMSD of backb atoms in res. *[1..108],for model 7 is: 0.415
> Kabsch RMSD of backb atoms in res. *[1..108],for model 8 is: 0.468
> Kabsch RMSD of backb atoms in res. *[1..108],for model 9 is: 0.394
> Kabsch RMSD of backb atoms in res. *[1..108],for model 10 is: 0.317
> Kabsch RMSD of backb atoms in res. *[1..108],for model 11 is: 0.384
> Kabsch RMSD of backb atoms in res. *[1..108],for model 12 is: 0.354
> Kabsch RMSD of backb atoms in res. *[1..108],for model 13 is: 0.480
> Kabsch RMSD of backb atoms in res. *[1..108],for model 14 is: 0.338
> Kabsch RMSD of backb atoms in res. *[1..108],for model 15 is: 0.328
> Kabsch RMSD of backb atoms in res. *[1..108],for model 16 is: 0.469
> Kabsch RMSD of backb atoms in res. *[1..108],for model 17 is: 0.357
> Kabsch RMSD of backb atoms in res. *[1..108],for model 18 is: 0.306
> Kabsch RMSD of backb atoms in res. *[1..108],for model 19 is: 0.392
> Kabsch RMSD of backb atoms in res. *[1..108],for model 20 is: 0.407
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..108], is: 0.394
> Range of RMSD values to reference struct. is 0.264 to 0.506
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 1 is: 0.606
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 2 is: 0.667
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 3 is: 0.891
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 4 is: 0.750
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 5 is: 0.741
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 6 is: 0.656
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 7 is: 0.629
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 8 is: 0.760
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 9 is: 0.671
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 10 is: 0.672
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 11 is: 0.722
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 12 is: 0.680
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 13 is: 0.771
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 14 is: 0.656
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 15 is: 0.667
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 16 is: 0.797
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 17 is: 0.727
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 18 is: 0.577 (*)
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 19 is: 0.625
> Kabsch RMSD of heavy atoms in res. *[1..108],for model 20 is: 0.718
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..108], is: 0.699
> Range of RMSD values to reference struct. is 0.577 to 0.891
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 0.4 0.4 0.4
All heavy atoms 0.7 0.7 0.7
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 >>>----------+
| |
| PFR193A_NMR_em_bcr3_020.rin 0.0 2120 residues |
| |
+| Ramachandran plot: 93.3% core 6.5% allow 0.2% gener 0.0% disall |
| |
+| All Ramachandrans: 15 labelled residues (out of2120) |
+| Chi1-chi2 plots: 2 labelled residues (out of1160) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
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
2 -0.53
3 0.01
4 -1.18
5 -1.43
6 -0.47
7 0.01
8 -0.05
9 -0.58
10 0.26
11 -0.25
12 -0.59
13 -0.65
14 0.11
15 0.30
16 -0.10
17 -0.72
18 -0.60
19 -0.20
20 -0.81
21 -0.10
22 -0.76
23 -0.50
24 0.13
25 -0.74
26 -0.03
27 -0.74
28 0.33
29 -0.32
30 -0.14
31 -1.54
32 -0.31
33 0.73
34 -0.16
35 -0.76
36 -0.21
37 -1.03
38 -0.77
39 -2.10
40 -0.30
41 0.35
42 -0.22
43 0.46
44 0.51
45 -0.41
46 0.46
47 0.38
48 -0.02
49 -1.05
50 -1.21
51 -1.06
52 -0.82
53 -0.36
54 0.19
55 -1.28
56 -0.04
57 -0.28
58 -0.29
59 -3.02
60 -1.37
61 -0.60
62 -0.51
63 -0.23
64 -0.04
65 -0.03
66 0.20
67 0.04
68 -1.06
69 -0.19
70 -0.99
71 -2.60
72 -0.54
73 -0.44
74 -0.59
75 -0.62
76 -0.60
77 -0.04
78 -0.62
79 0.04
80 -0.54
81 -0.79
82 0.32
83 0.06
84 -1.14
85 0.52
86 0.04
87 -0.86
88 -0.09
89 -0.08
90 -0.60
91 -1.60
92 0.41
93 -0.97
94 -0.88
95 0.06
96 -0.16
97 0.13
98 0.21
99 -0.75
100 0.35
101 -0.66
102 -0.47
103 0.24
104 -0.75
105 0.23
106 -0.68
107 -0.73
#Reported_Model_Average -0.420
#Overall_Average_Reported -0.420
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
2 -0.47
3 0.28
4 -1.18
5 -1.20
6 0.16
7 -0.39
8 -0.19
9 0.17
10 0.31
11 -0.18
12 -0.59
13 -0.65
14 -0.61
15 0.47
16 -0.24
17 -0.72
18 -0.75
19 0.05
20 -0.38
21 0.11
22 -0.76
23 0.13
24 0.22
25 0.03
26 -0.05
27 -0.43
28 -0.08
29 -0.92
30 -0.01
31 -0.37
32 -0.31
33 0.73
34 -0.89
35 -0.76
36 0.05
37 -1.03
38 -0.50
39 -0.78
40 0.28
41 0.23
42 0.33
43 0.58
44 0.35
45 0.05
46 0.61
47 0.38
48 0.14
49 -0.26
50 -0.43
51 -0.38
52 -1.62
53 -0.59
54 0.36
55 -0.82
56 0.26
57 0.30
58 -0.29
59 -3.02
60 -0.39
61 -0.38
62 0.01
63 -0.07
64 0.18
65 0.27
66 -0.02
67 -0.04
68 -0.34
69 -0.50
70 -0.29
71 -2.60
72 -0.27
73 -0.12
74 -1.45
75 -0.62
76 -0.56
77 0.17
78 -0.06
79 0.31
80 -0.40
81 -0.79
82 0.20
83 -0.49
84 -0.78
85 0.36
86 -0.26
87 -0.60
88 0.15
89 -0.50
90 -0.02
91 -0.71
92 0.65
93 -0.56
94 -0.60
95 -0.13
96 -0.23
97 -0.25
98 0.27
99 -0.75
100 0.34
101 -0.17
102 -0.90
103 0.35
104 -0.26
105 0.24
106 -0.47
107 0.08
#Reported_Model_Average -0.267
#Overall_Average_Reported -0.267
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
2 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04
3 -0.84 -0.84 -0.84 -1.29 -1.29 0.71 -1.29 -1.29 -1.29 -1.29 -0.84 0.71 -1.29 -0.84 -0.84 -1.29 -0.84 -1.29 -0.84 0.71
4 -0.07 -0.07 -0.07 -0.07 -0.07 -0.07 0.64 -0.07 0.59 -0.07 -0.11 -0.07 -0.07 -0.07 -0.07 -0.07 -0.07 -0.07 -0.07 -0.07
5 0.34 -0.83 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
6 0.36 0.36 0.36 1.07 0.36 0.36 0.36 1.07 1.07 0.36 0.36 0.36 0.36 0.36 1.07 1.07 0.36 1.07 0.36 0.36
7 0.79 0.79 0.79 0.95 0.95 0.95 0.79 0.79 0.95 0.79 0.95 0.79 0.95 0.79 0.95 0.79 0.79 0.79 0.95 0.79
8 1.18 1.18 1.18 0.71 0.71 1.18 0.71 0.71 1.18 1.18 0.71 0.71 1.18 1.18 0.71 0.71 0.71 1.18 0.71 0.71
9 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
10 1.50 1.50 1.50 1.07 1.07 1.07 1.07 1.50 1.50 1.07 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07
11 -1.54 -1.54 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
12 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
13 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
14 0.51 0.51 0.23 0.51 0.51 0.51 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.51 0.23 0.23 0.51 0.23 0.23 0.23
15 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 -1.66 0.08 0.08 0.08 -1.66 0.08 0.08 0.08
16 0.44 0.44 0.71 0.44 0.71 0.44 1.18 0.44 0.44 0.71 0.44 0.44 0.44 0.44 0.71 0.44 0.44 0.71 0.44 0.44
17 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
18 -0.40 -0.09 0.66 -0.40 -0.40 -0.09 -0.09 -0.40 -0.09 -0.40 -0.09 -0.09 -0.40 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
19 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 -0.26 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51
20 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
21 -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
22 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
23 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
24 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
25 0.41 0.41 0.41 -0.68 0.41 -0.68 -0.68 0.41 -0.68 -0.68 -0.68 -0.68 -0.68 0.41 -0.68 -0.68 0.41 -0.68 -0.68 0.41
26 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
27 0.80 0.80 0.80 0.80 0.80 -0.05 0.80 0.80 0.80 0.80 0.80 0.80 0.80 -0.49 -0.49 -0.49 0.80 -0.49 0.80 0.80
28 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
29 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
30 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33
31 -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
32 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
33 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
34 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94
35 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
36 0.71 0.71 0.71 1.18 0.71 0.71 0.71 1.18 1.18 0.71 0.71 0.71 0.71 0.71 0.71 1.18 1.18 0.71 0.71 1.18
37 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88
38 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
39 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
40 0.55 0.35 0.55 0.55 0.55 0.35 0.55 0.35 0.35 0.55 0.35 0.55 0.35 0.55 0.55 0.35 0.35 0.55 0.55 0.35
41 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
42 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84
43 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
44 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09
45 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
46 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
47 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
48 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17
49 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33
50 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
51 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
52 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
53 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.07 0.83 0.83 0.83 0.83
54 0.79 -0.17 -0.17 0.79 -0.17 0.79 0.79 0.79 0.79 0.79 0.79 -0.17 -0.17 0.79 0.79 0.79 -0.17 0.79 0.79 0.79
55 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
56 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.49 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.49 0.65
57 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36
58 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
59 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
60 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 -0.10 -0.10 -0.10
61 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
62 -0.42 -0.42 -0.42 -0.42 -0.42 0.41 -0.42 -0.68 0.41 -0.68 -0.42 -0.42 0.41 -0.42 0.41 -0.42 -0.68 -0.42 -0.68 -0.42
63 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 0.35 0.55 0.55 0.55 0.55 0.55 0.55
64 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
65 1.07 0.36 1.07 0.36 0.36 0.36 0.36 1.07 1.07 1.07 1.07 0.36 1.07 1.07 0.36 1.07 1.07 0.36 0.36 0.36
66 -0.17 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 -0.17 0.79 0.79 0.79 0.79 0.79 0.79
67 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
68 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.65 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
69 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92
70 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
71 -0.07 -0.07 -0.07 -0.07 -0.07 -0.07 -0.11 -0.07 -0.11 -0.11 -0.07 -0.07 -0.07 -0.07 -0.11 -0.07 -0.07 -0.07 -0.07 -0.07
72 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
73 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 0.25 -0.03 0.25 0.25 -0.03 -0.03 0.25 -0.03 -0.03 -0.03
74 -0.59 0.28 -0.59 0.28 0.28 -0.59 0.28 -0.59 0.28 -0.59 0.28 0.28 0.28 0.28 -0.59 0.28 -0.59 0.28 0.28 0.28
75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
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 -0.76
77 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09
78 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
79 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
80 -0.92 -0.92 -0.92 -0.92 -0.92 -0.92 -0.92 -0.92 -0.92 -0.92 -0.92 0.00 -0.92 -0.92 0.00 -0.92 -0.92 -0.92 -0.92 -0.92
81 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
82 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
83 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18
84 0.51 0.34 0.51 0.51 -0.83 -0.83 0.51 0.34 -0.83 -0.83 -0.83 0.34 -0.83 0.51 0.34 -0.83 -0.83 0.51 0.51 -0.83
85 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28
86 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
87 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.51 0.41 0.51 0.51 0.41 0.41 0.51 0.51 0.41 0.41 0.51
88 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
89 -0.74 -0.74 -0.74 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.74
90 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74 -0.80 -0.80 -0.80 -0.80
91 -0.46 -0.46 -1.13 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -1.13 -0.46
92 -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
93 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
94 0.04 0.28 0.28 0.28 0.04 0.28 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28
95 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
96 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
97 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 -0.26 0.09 0.51 -0.26 -0.26 0.51 -0.26 -0.26 0.09 0.51 0.51 0.51 0.09
98 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
99 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 -0.52 0.59 0.59 0.59 -0.52 0.59 0.59 0.59 -0.52 -0.52 0.59 0.59
100 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
101 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37
102 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.30 -0.03 -0.03 -0.03 -0.61 -0.30 -0.03 -0.03 -0.03 -0.03
103 0.71 0.71 0.71 0.71 0.71 0.71 0.71 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
104 0.49 0.49 0.49 0.65 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.65 0.49 0.49 0.49 0.49
105 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
106 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
107 -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
#Reported_Model_Average 0.382 0.375 0.400 0.412 0.382 0.402 0.402 0.398 0.408 0.373 0.378 0.413 0.366 0.387 0.384 0.380 0.370 0.385 0.390 0.405
#Overall_Average_Reported 0.390
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
2 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04
3 -0.84 -0.84 -0.84 -1.29 -1.29 0.71 -1.29 -1.29 -1.29 -1.29 -0.84 0.71 -1.29 -0.84 -0.84 -1.29 -0.84 -1.29 -0.84 0.71
4 -0.07 -0.07 -0.07 -0.07 -0.07 -0.07 0.64 -0.07 0.59 -0.07 -0.11 -0.07 -0.07 -0.07 -0.07 -0.07 -0.07 -0.07 -0.07 -0.07
5 0.34 -0.83 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
6 0.36 0.36 0.36 1.07 0.36 0.36 0.36 1.07 1.07 0.36 0.36 0.36 0.36 0.36 1.07 1.07 0.36 1.07 0.36 0.36
7 0.79 0.79 0.79 0.95 0.95 0.95 0.79 0.79 0.95 0.79 0.95 0.79 0.95 0.79 0.95 0.79 0.79 0.79 0.95 0.79
8 1.18 1.18 1.18 0.71 0.71 1.18 0.71 0.71 1.18 1.18 0.71 0.71 1.18 1.18 0.71 0.71 0.71 1.18 0.71 0.71
9 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
10 1.50 1.50 1.50 1.07 1.07 1.07 1.07 1.50 1.50 1.07 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07
11 -1.54 -1.54 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
12 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
13 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
14 0.51 0.51 0.23 0.51 0.51 0.51 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.51 0.23 0.23 0.51 0.23 0.23 0.23
15 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 -1.66 0.08 0.08 0.08 -1.66 0.08 0.08 0.08
16 0.44 0.44 0.71 0.44 0.71 0.44 1.18 0.44 0.44 0.71 0.44 0.44 0.44 0.44 0.71 0.44 0.44 0.71 0.44 0.44
17 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
18 -0.40 -0.09 0.66 -0.40 -0.40 -0.09 -0.09 -0.40 -0.09 -0.40 -0.09 -0.09 -0.40 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
19 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 -0.26 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51
20 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
21 -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
22 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
23 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
24 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
25 0.41 0.41 0.41 -0.68 0.41 -0.68 -0.68 0.41 -0.68 -0.68 -0.68 -0.68 -0.68 0.41 -0.68 -0.68 0.41 -0.68 -0.68 0.41
26 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
27 0.80 0.80 0.80 0.80 0.80 -0.05 0.80 0.80 0.80 0.80 0.80 0.80 0.80 -0.49 -0.49 -0.49 0.80 -0.49 0.80 0.80
28 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
29 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
30 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33
31 -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
32 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
33 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
34 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94
35 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
36 0.71 0.71 0.71 1.18 0.71 0.71 0.71 1.18 1.18 0.71 0.71 0.71 0.71 0.71 0.71 1.18 1.18 0.71 0.71 1.18
37 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88
38 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
39 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
40 0.55 0.35 0.55 0.55 0.55 0.35 0.55 0.35 0.35 0.55 0.35 0.55 0.35 0.55 0.55 0.35 0.35 0.55 0.55 0.35
41 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
42 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84
43 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
44 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09
45 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
46 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
47 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
48 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17 -0.17
49 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33
50 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
51 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
52 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
53 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.83 0.07 0.83 0.83 0.83 0.83
54 0.79 -0.17 -0.17 0.79 -0.17 0.79 0.79 0.79 0.79 0.79 0.79 -0.17 -0.17 0.79 0.79 0.79 -0.17 0.79 0.79 0.79
55 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
56 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.49 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.49 0.65
57 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36
58 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
59 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
60 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 -0.10 -0.10 -0.10
61 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
62 -0.42 -0.42 -0.42 -0.42 -0.42 0.41 -0.42 -0.68 0.41 -0.68 -0.42 -0.42 0.41 -0.42 0.41 -0.42 -0.68 -0.42 -0.68 -0.42
63 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 0.35 0.55 0.55 0.55 0.55 0.55 0.55
64 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
65 1.07 0.36 1.07 0.36 0.36 0.36 0.36 1.07 1.07 1.07 1.07 0.36 1.07 1.07 0.36 1.07 1.07 0.36 0.36 0.36
66 -0.17 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 -0.17 0.79 0.79 0.79 0.79 0.79 0.79
67 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
68 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.65 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
69 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92 0.92
70 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
71 -0.07 -0.07 -0.07 -0.07 -0.07 -0.07 -0.11 -0.07 -0.11 -0.11 -0.07 -0.07 -0.07 -0.07 -0.11 -0.07 -0.07 -0.07 -0.07 -0.07
72 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
73 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 0.25 -0.03 0.25 0.25 -0.03 -0.03 0.25 -0.03 -0.03 -0.03
74 -0.59 0.28 -0.59 0.28 0.28 -0.59 0.28 -0.59 0.28 -0.59 0.28 0.28 0.28 0.28 -0.59 0.28 -0.59 0.28 0.28 0.28
75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
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 -0.76
77 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09
78 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
79 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
80 -0.92 -0.92 -0.92 -0.92 -0.92 -0.92 -0.92 -0.92 -0.92 -0.92 -0.92 0.00 -0.92 -0.92 0.00 -0.92 -0.92 -0.92 -0.92 -0.92
81 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
82 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
83 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18
84 0.51 0.34 0.51 0.51 -0.83 -0.83 0.51 0.34 -0.83 -0.83 -0.83 0.34 -0.83 0.51 0.34 -0.83 -0.83 0.51 0.51 -0.83
85 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28
86 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
87 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.51 0.41 0.51 0.51 0.41 0.41 0.51 0.51 0.41 0.41 0.51
88 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
89 -0.74 -0.74 -0.74 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.74
90 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74 -0.80 -0.80 -0.80 -0.80
91 -0.46 -0.46 -1.13 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -1.13 -0.46
92 -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
93 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
94 0.04 0.28 0.28 0.28 0.04 0.28 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28
95 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
96 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
97 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 -0.26 0.09 0.51 -0.26 -0.26 0.51 -0.26 -0.26 0.09 0.51 0.51 0.51 0.09
98 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
99 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 -0.52 0.59 0.59 0.59 -0.52 0.59 0.59 0.59 -0.52 -0.52 0.59 0.59
100 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
101 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37
102 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.30 -0.03 -0.03 -0.03 -0.61 -0.30 -0.03 -0.03 -0.03 -0.03
103 0.71 0.71 0.71 0.71 0.71 0.71 0.71 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
104 0.49 0.49 0.49 0.65 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.65 0.49 0.49 0.49 0.49
105 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
106 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
107 -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
#Reported_Model_Average 0.382 0.375 0.400 0.412 0.382 0.402 0.402 0.398 0.408 0.373 0.378 0.413 0.366 0.387 0.384 0.380 0.370 0.385 0.390 0.405
#Overall_Average_Reported 0.390
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
2.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0
3.000 0 0 0 0 1 0 1 1 1 0 0 0 0 1 0 0 0 0 0 1
4.000 2 4 4 1 2 3 3 2 5 2 3 3 2 3 2 3 2 2 2 6
5.000 0 0 0 1 0 1 0 1 0 0 0 1 0 1 1 1 0 0 0 1
6.000 3 2 3 2 3 3 3 1 0 0 1 1 1 1 1 1 1 1 2 2
7.000 2 2 3 0 2 1 2 1 2 1 1 5 1 1 1 2 2 1 1 1
8.000 1 3 1 1 1 1 1 1 2 1 3 2 2 4 4 1 3 1 3 2
9.000 2 1 1 1 0 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1
10.000 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 1 0
11.000 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0
12.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
13.000 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
15.000 1 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0
16.000 0 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
17.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
18.000 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1
19.000 1 1 0 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 0 1
20.000 1 1 0 1 0 1 0 1 0 1 0 0 0 1 0 0 1 1 1 0
21.000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1
22.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
23.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
24.000 0 0 0 1 0 3 0 0 1 0 1 0 1 1 1 1 1 0 0 0
25.000 1 0 0 0 1 1 2 1 0 1 0 0 1 1 0 0 1 1 0 0
26.000 1 0 1 0 1 0 0 2 0 0 1 0 0 0 1 1 0 0 0 0
27.000 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
28.000 2 3 2 2 2 3 3 2 3 2 3 4 5 3 2 2 3 2 2 5
29.000 1 2 4 2 3 0 2 1 1 1 1 2 1 1 2 2 2 1 1 2
30.000 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1
31.000 0 1 1 1 1 1 1 2 1 1 1 1 1 2 2 0 1 1 1 2
32.000 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
34.000 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 3 0 0 0 0
35.000 0 0 1 0 1 2 1 0 1 0 0 0 1 0 1 0 1 1 0 1
36.000 1 0 1 1 1 0 1 1 1 0 1 0 0 0 1 0 0 0 0 2
37.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
38.000 0 0 0 1 1 0 0 0 1 0 1 0 0 0 0 1 1 0 0 0
39.000 0 2 1 0 0 1 0 1 1 0 0 1 1 0 1 1 2 0 0 0
40.000 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
41.000 1 1 1 1 1 1 3 1 2 1 2 1 2 1 1 1 1 1 2 1
42.000 1 0 1 1 0 1 0 0 1 5 0 0 1 1 0 1 1 2 2 1
43.000 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0
44.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 0
45.000 1 1 1 1 1 0 1 1 1 1 1 0 0 1 1 2 0 1 0 1
46.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
47.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
48.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
49.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
50.000 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0
51.000 0 0 0 0 0 0 1 0 0 0 0 2 0 1 1 0 1 1 0 0
52.000 0 0 0 0 0 2 0 0 0 2 0 1 0 0 0 0 0 1 0 2
53.000 0 0 0 0 0 0 1 1 1 0 1 1 0 0 0 0 1 1 0 0
54.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
55.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
56.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
57.000 2 2 3 1 2 1 2 2 0 0 2 2 3 1 0 2 1 2 1 3
58.000 0 0 0 0 1 2 1 0 1 0 0 0 1 0 1 0 1 0 0 1
59.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
60.000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
61.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
62.000 0 1 2 1 1 0 1 0 0 0 0 0 1 0 0 1 1 0 0 2
63.000 1 1 1 2 1 1 1 1 0 0 2 3 1 1 0 1 0 0 0 2
64.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
65.000 0 0 1 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0
66.000 1 0 0 0 1 0 1 1 0 0 0 0 1 1 0 0 1 1 0 0
67.000 0 0 0 1 0 1 0 0 1 0 0 0 2 1 2 2 1 0 0 0
68.000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1
69.000 0 0 0 0 1 1 0 0 1 0 1 0 1 0 1 0 1 0 0 0
70.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
71.000 2 1 1 2 0 2 0 1 1 2 1 1 1 1 1 1 2 2 1 0
72.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
73.000 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0
74.000 2 0 1 0 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 1
75.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
76.000 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0
77.000 0 1 0 0 1 0 0 0 1 0 1 0 0 0 0 1 0 1 0 0
78.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1
79.000 1 1 1 1 1 0 1 1 1 1 1 0 0 1 1 1 1 1 1 1
80.000 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0
81.000 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 1 0 0
82.000 0 1 0 1 0 1 1 1 1 0 1 0 1 1 2 1 1 1 2 0
83.000 1 2 2 0 0 0 0 1 2 0 0 1 0 0 3 1 5 0 2 1
84.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
85.000 1 0 1 1 0 0 0 0 1 1 0 0 1 1 2 1 1 1 2 0
86.000 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 1 0 1
87.000 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0
88.000 1 0 0 1 2 1 0 0 1 0 1 0 0 0 0 2 1 1 0 1
89.000 0 0 0 0 1 0 0 0 1 1 0 1 0 1 0 0 0 1 0 2
90.000 0 0 0 0 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1
91.000 2 3 3 0 0 2 3 0 1 0 0 0 0 0 1 0 0 0 1 0
92.000 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0
93.000 0 0 1 0 0 0 1 1 1 0 0 0 1 0 0 0 0 1 0 1
94.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0
95.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
96.000 1 1 2 0 2 1 3 2 2 1 1 3 2 1 1 1 2 2 1 2
97.000 1 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 1 0 1 1
98.000 0 1 0 1 0 1 0 1 1 0 1 0 1 1 1 1 1 2 1 0
99.000 0 2 0 1 1 0 0 0 0 0 2 1 1 3 3 0 1 0 2 1
100.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
101.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
102.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 0
103.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
104.000 1 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0
105.000 1 1 1 2 1 0 0 0 1 1 0 1 0 0 0 1 0 1 0 1
106.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
107.000 0 0 3 0 1 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0
#Reported_Model_Average 0.472 0.491 0.575 0.453 0.509 0.547 0.491 0.491 0.566 0.415 0.491 0.472 0.472 0.453 0.566 0.547 0.566 0.491 0.415 0.613
#Overall_Average_Reported 0.505
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.696: 71
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.554: 5
: 1687:A 30 ASN O :A 60 LYS HA : -0.685: 62
: 1687:A 91 GLU 1HG :A 4 PRO 1HG : -0.642: 42
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.545: 21
: 1687:A 6 LEU 2HD2 :A 57 LEU 2HD1 : -0.530: 36
: 1687:A 6 LEU 1HD1 :A 36 VAL 1HG1 : -0.527: 34
: 1687:A 63 LYS 1HG :A 57 LEU CD2 : -0.431: 65
: 1687:A 6 LEU HG :A 91 GLU OE2 : -0.404: 74
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.590: 40
: 1687:A 26 VAL HA :A 9 GLU O : -0.401: 62
: 1687:A 71 PRO 1HD :A 20 LYS O : -0.579: 74
: 1687:A 105 VAL 1HG1 :A 71 PRO 1HB : -0.408: 44
: 1687:A 21 LEU 1HD1 :A 68 SER 1HB : -0.570: 61
: 1687:A 25 GLU 1HG :A 66 THR 2HG2 : -0.570: 61
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.566: 63
: 1687:A 7 THR CG2 :A 29 LYS 2HG : -0.416: 64
: 1687:A 18 VAL 2HG2 :A 19 ASN ND2 : -0.551: 73
: 1687:A 74 GLU H :A 74 GLU CD : -0.506: 24
: 1687:A 85 GLU OE1 :A 42 ARG 1HD : -0.500: 35
: 1687:A 15 VAL 2HG2 :A 104 SER 1HB : -0.500: 4
: 1687:A 86 GLU 1HB :A 88 THR 3HG2 : -0.485: 71
: 1687:A 45 ILE 1HG1 :A 79 ILE 1HG1 : -0.432: 64
: 1687:A 87 ASN C :A 87 ASN 2HD2 : -0.419: 64
: 1687:A 97 ASN 2HD2 :A 83 VAL 3HG1 : -0.401: 74
#sum2 ::14.82 clashscore : 8.91 clashscore B<40
#summary::1687 atoms:786 atoms B<40:189749 potential dots:11860.0 A^2:25 bumps:7 bumps B<40:431.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.618: 54
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.561: 33
: 1687:A 99 ALA 2HB :A 8 VAL O : -0.547: 63
: 1687:A 99 ALA CB :A 8 VAL 3HG2 : -0.467: 42
: 1687:A 62 GLU HA :A 28 VAL O : -0.401: 63
: 1687:A 91 GLU 1HG :A 4 PRO 1HG : -0.595: 75
: 1687:A 6 LEU 2HD2 :A 57 LEU 2HD1 : -0.548: 71
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.513: 62
: 1687:A 63 LYS 1HG :A 57 LEU CD2 : -0.461: 34
: 1687:A 91 GLU 2HB :A 4 PRO O : -0.459: 34
: 1687:A 6 LEU HG :A 91 GLU OE2 : -0.457: 73
: 1687:A 4 PRO 2HB :A 34 ILE 3HG2 : -0.417: 44
: 1687:A 98 VAL 2HG2 :A 82 THR 2HG2 : -0.591: 55
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.581: 60
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.567: 45
: 1687:A 29 LYS 2HG :A 7 THR 3HG2 : -0.493: 62
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.482: 71
: 1687:A 71 PRO 1HD :A 20 LYS O : -0.544: 71
: 1687:A 18 VAL 2HG2 :A 19 ASN ND2 : -0.530: 21
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.521: 23
: 1687:A 30 ASN O :A 60 LYS HA : -0.508: 71
: 1687:A 45 ILE 1HG1 :A 79 ILE 1HG1 : -0.504: 75
: 1687:A 16 VAL O :A 105 VAL HA : -0.459: 75
: 1687:A 39 THR 3HG2 :A 83 VAL 1HG2 : -0.434: 53
: 1687:A 83 VAL CG2 :A 39 THR 3HG2 : -0.400: 53
: 1687:A 77 TYR HA :A 46 ASN 1HD2 : -0.400: 51
#sum2 ::15.41 clashscore : 6.13 clashscore B<40
#summary::1687 atoms:816 atoms B<40:189814 potential dots:11860.0 A^2:26 bumps:5 bumps B<40:467.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.716: 74
: 1687:A 93 ASN ND2 :A 96 ASN 1HB : -0.570: 40
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.554: 33
: 1687:A 29 LYS 2HG :A 7 THR 3HG2 : -0.491: 71
: 1687:A 29 LYS 2HB :A 62 GLU 1HB : -0.485: 44
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.445: 51
: 1687:A 7 THR CG2 :A 29 LYS 2HG : -0.434: 71
: 1687:A 62 GLU OE2 :A 27 HIS 2HB : -0.422: 33
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.649: 42
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.603: 21
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.601: 63
: 1687:A 6 LEU 2HD2 :A 57 LEU 2HD1 : -0.547: 13
: 1687:A 6 LEU 1HD1 :A 36 VAL 1HG1 : -0.519: 61
: 1687:A 91 GLU 1HG :A 4 PRO 1HG : -0.500: 73
: 1687:A 63 LYS 1HG :A 57 LEU CD2 : -0.478: 63
: 1687:A 91 GLU 2HB :A 4 PRO O : -0.471: 5
: 1687:A 4 PRO 2HB :A 34 ILE 3HG2 : -0.432: 74
: 1687:A 6 LEU HG :A 91 GLU OE2 : -0.431: 14
: 1687:A 35 GLY 1HA :A 57 LEU O : -0.401: 70
: 1687:A 30 ASN O :A 60 LYS HA : -0.567: 74
: 1687:A 45 ILE 1HG1 :A 79 ILE 1HG1 : -0.559: 61
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.533: 74
: 1687:A 40 LYS O :A 83 VAL HA : -0.484: 64
: 1687:A 39 THR 3HG2 :A 83 VAL 1HG2 : -0.447: 22
: 1687:A 107 LEU 3HD2 :A 18 VAL 1HG1 : -0.477: 63
: 1687:A 74 GLU 1HG :A 107 LEU 1HD2 : -0.425: 63
: 1687:A 18 VAL 2HG1 :A 107 LEU HA : -0.411: 63
: 1687:A 105 VAL 1HG1 :A 71 PRO 1HB : -0.440: 62
: 1687:A 106 VAL 3HG2 :A 108 GLU H : -0.435: 31
: 1687:A 85 GLU 1HB :A 42 ARG NH1 : -0.427: 10
: 1687:A 26 VAL HB :A 65 LEU 1HB : -0.409: 71
#sum2 ::18.38 clashscore : 9.94 clashscore B<40
#summary::1687 atoms:905 atoms B<40:189758 potential dots:11860.0 A^2:31 bumps:9 bumps B<40:418.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.648: 41
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.630: 64
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.533: 64
: 1687:A 21 LEU 1HD1 :A 68 SER 1HB : -0.567: 52
: 1687:A 85 GLU 2HG :A 42 ARG 1HD : -0.560: 31
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.560: 65
: 1687:A 62 GLU 2HG :A 29 LYS 2HB : -0.426: 65
: 1687:A 98 VAL 2HG2 :A 82 THR 2HG2 : -0.559: 21
: 1687:A 45 ILE 1HG1 :A 79 ILE 1HG1 : -0.557: 54
: 1687:A 30 ASN O :A 60 LYS HA : -0.511: 62
: 1687:A 5 ASP O :A 30 ASN HA : -0.405: 52
: 1687:A 76 MET SD :A 76 MET C : -0.506: 35
: 1687:A 88 THR OG1 :A 38 SER 1HB : -0.503: 24
: 1687:A 18 VAL 2HG2 :A 19 ASN ND2 : -0.473: 72
: 1687:A 71 PRO 1HD :A 20 LYS O : -0.451: 32
: 1687:A 16 VAL O :A 105 VAL HA : -0.442: 54
: 1687:A 105 VAL 1HG1 :A 71 PRO 1HB : -0.442: 22
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.441: 52
: 1687:A 24 TYR 1HB :A 67 PHE CZ : -0.438: 32
: 1687:A 6 LEU 1HD1 :A 36 VAL 1HG1 : -0.413: 65
: 1687:A 6 LEU 2HD2 :A 57 LEU 2HD1 : -0.411: 15
: 1687:A 63 LYS 2HB :A 63 LYS NZ : -0.412: 41
: 1687:A 99 ALA O :A 80 ASN HA : -0.410: 53
: 1687:A 40 LYS 1HD :A 86 GLU CG : -0.402: 70
#sum2 ::14.23 clashscore : 8.88 clashscore B<40
#summary::1687 atoms:901 atoms B<40:189878 potential dots:11870.0 A^2:24 bumps:8 bumps B<40:439.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.767: 52
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.596: 63
: 1687:A 29 LYS 2HG :A 7 THR 3HG2 : -0.657: 60
: 1687:A 96 ASN 1HB :A 7 THR HB : -0.582: 44
: 1687:A 6 LEU 2HD2 :A 57 LEU 2HD1 : -0.554: 74
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.461: 44
: 1687:A 29 LYS 2HB :A 62 GLU 1HB : -0.429: 21
: 1687:A 6 LEU 1HD1 :A 36 VAL 1HG1 : -0.424: 41
: 1687:A 63 LYS 1HG :A 57 LEU CD2 : -0.412: 1
: 1687:A 96 ASN ND2 :A 6 LEU O : -0.409: 72
: 1687:A 77 TYR OH :A 73 GLN 2HB : -0.630: 40
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.569: 51
: 1687:A 18 VAL 2HG2 :A 19 ASN ND2 : -0.565: 24
: 1687:A 90 VAL O :A 4 PRO 1HD : -0.526: 71
: 1687:A 89 VAL 1HG2 :A 4 PRO 2HG : -0.431: 32
: 1687:A 30 ASN O :A 60 LYS HA : -0.499: 72
: 1687:A 88 THR OG1 :A 38 SER 2HB : -0.467: 34
: 1687:A 86 GLU 1HB :A 88 THR 3HG2 : -0.466: 54
: 1687:A 16 VAL O :A 105 VAL HA : -0.465: 64
: 1687:A 35 GLY 1HA :A 58 GLY 1HA : -0.457: 42
: 1687:A 99 ALA O :A 80 ASN HA : -0.445: 22
: 1687:A 45 ILE 1HG1 :A 79 ILE 1HG1 : -0.439: 72
: 1687:A 69 TRP HZ3 :A 103 VAL 1HG1 : -0.431: 33
: 1687:A 25 GLU 1HG :A 66 THR 2HG2 : -0.427: 52
: 1687:A 92 LEU CD2 :A 3 PHE 1HB : -0.421: 51
: 1687:A 74 GLU 1HG :A 107 LEU CD2 : -0.410: 51
: 1687:A 65 LEU 1HB :A 26 VAL HB : -0.407: 51
#sum2 ::16.00 clashscore : 8.21 clashscore B<40
#summary::1687 atoms:853 atoms B<40:189820 potential dots:11860.0 A^2:27 bumps:7 bumps B<40:436.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 91 GLU 1HG :A 4 PRO 1HG : -0.725: 15
: 1687:A 6 LEU 2HD2 :A 57 LEU 2HD1 : -0.554: 51
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.549: 55
: 1687:A 6 LEU 3HD1 :A 39 THR 3HG2 : -0.468: 10
: 1687:A 6 LEU HG :A 91 GLU OE2 : -0.438: 65
: 1687:A 90 VAL O :A 4 PRO 1HD : -0.414: 55
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.614: 41
: 1687:A 88 THR 3HG2 :A 86 GLU 2HG : -0.598: 43
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.590: 44
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.542: 44
: 1687:A 28 VAL 2HG2 :A 63 LYS O : -0.428: 24
: 1687:A 11 LYS 2HB :A 25 GLU 1HB : -0.583: 62
: 1687:A 35 GLY 1HA :A 58 GLY 1HA : -0.569: 55
: 1687:A 58 GLY 1HA :A 35 GLY CA : -0.405: 55
: 1687:A 71 PRO 1HD :A 20 LYS O : -0.550: 42
: 1687:A 71 PRO 2HB :A 69 TRP CH2 : -0.407: 75
: 1687:A 15 VAL 2HG2 :A 104 SER 1HB : -0.546: 74
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.525: 62
: 1687:A 18 VAL 2HG2 :A 19 ASN ND2 : -0.525: 1
: 1687:A 98 VAL 2HG2 :A 82 THR 2HG2 : -0.514: 64
: 1687:A 30 ASN O :A 60 LYS HA : -0.504: 23
: 1687:A 24 TYR CZ :A 13 PRO 1HD : -0.483: 43
: 1687:A 24 TYR CE1 :A 13 PRO 1HD : -0.421: 53
: 1687:A 24 TYR 1HB :A 67 PHE CZ : -0.407: 61
: 1687:A 22 ALA 1HB :A 13 PRO 1HG : -0.402: 53
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.433: 50
: 1687:A 81 ALA HA :A 42 ARG O : -0.431: 75
: 1687:A 5 ASP 2HB :A 31 LEU 1HB : -0.410: 61
: 1687:A 52 ASN 2HD2 :A 52 ASN N : -0.406: 43
#sum2 ::17.19 clashscore : 5.73 clashscore B<40
#summary::1687 atoms:872 atoms B<40:189767 potential dots:11860.0 A^2:29 bumps:5 bumps B<40:454.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.646: 62
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.576: 44
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.497: 32
: 1687:A 41 VAL 1HG2 :A 28 VAL CG1 : -0.432: 32
: 1687:A 41 VAL HA :A 82 THR O : -0.408: 71
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.573: 71
: 1687:A 62 GLU 2HG :A 29 LYS 2HB : -0.435: 62
: 1687:A 30 ASN O :A 60 LYS HA : -0.567: 33
: 1687:A 18 VAL 2HG2 :A 19 ASN ND2 : -0.567: 45
: 1687:A 45 ILE 1HG1 :A 79 ILE 1HG1 : -0.566: 61
: 1687:A 25 GLU 1HG :A 66 THR 2HG2 : -0.564: 54
: 1687:A 11 LYS 2HB :A 25 GLU 1HB : -0.452: 54
: 1687:A 53 TRP CZ2 :A 51 LYS 2HE : -0.559: 63
: 1687:A 93 ASN 2HB :A 96 ASN 1HB : -0.550: 42
: 1687:A 96 ASN CG :A 7 THR HB : -0.496: 74
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.472: 3
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.534: 33
: 1687:A 6 LEU 2HD2 :A 57 LEU 2HD1 : -0.515: 64
: 1687:A 6 LEU 1HD1 :A 36 VAL 1HG1 : -0.494: 31
: 1687:A 91 GLU 1HG :A 4 PRO 1HG : -0.457: 10
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.421: 51
: 1687:A 63 LYS 1HG :A 57 LEU CD2 : -0.409: 70
: 1687:A 6 LEU H :A 91 GLU CD : -0.408: 34
: 1687:A 91 GLU 2HB :A 4 PRO O : -0.404: 54
: 1687:A 35 GLY 1HA :A 58 GLY 1HA : -0.507: 73
: 1687:A 92 LEU CD2 :A 3 PHE 1HB : -0.402: 31
#sum2 ::15.41 clashscore : 10.64 clashscore B<40
#summary::1687 atoms:846 atoms B<40:189683 potential dots:11860.0 A^2:26 bumps:9 bumps B<40:417.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.664: 41
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.641: 71
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.647: 62
: 1687:A 93 ASN ND2 :A 96 ASN 1HB : -0.443: 55
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.630: 72
: 1687:A 90 VAL O :A 4 PRO 1HD : -0.521: 72
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.607: 54
: 1687:A 26 VAL HA :A 9 GLU O : -0.561: 33
: 1687:A 26 VAL HB :A 65 LEU 1HB : -0.463: 45
: 1687:A 71 PRO 1HD :A 20 LYS O : -0.541: 52
: 1687:A 6 LEU 2HD2 :A 57 LEU 2HD1 : -0.529: 52
: 1687:A 63 LYS 1HG :A 57 LEU CD2 : -0.455: 53
: 1687:A 10 ILE 1HD1 :A 81 ALA N : -0.505: 62
: 1687:A 30 ASN O :A 60 LYS HA : -0.501: 34
: 1687:A 25 GLU 1HG :A 66 THR 2HG2 : -0.497: 51
: 1687:A 39 THR 3HG2 :A 83 VAL CG2 : -0.496: 72
: 1687:A 45 ILE 1HG1 :A 79 ILE 1HG1 : -0.495: 21
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.491: 3
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.475: 73
: 1687:A 5 ASP 2HB :A 31 LEU 1HB : -0.407: 55
: 1687:A 98 VAL 2HG2 :A 82 THR 2HG2 : -0.452: 74
: 1687:A 15 VAL 2HG2 :A 104 SER 1HB : -0.444: 35
: 1687:A 37 PRO 2HD :A 36 VAL HA : -0.428: 63
: 1687:A 18 VAL 2HG2 :A 19 ASN ND2 : -0.427: 21
: 1687:A 92 LEU CD2 :A 3 PHE 1HB : -0.425: 73
: 1687:A 43 VAL 3HG2 :A 53 TRP HZ3 : -0.401: 52
#sum2 ::15.41 clashscore : 7.53 clashscore B<40
#summary::1687 atoms:797 atoms B<40:189800 potential dots:11860.0 A^2:26 bumps:6 bumps B<40:457.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.676: 21
: 1687:A 41 VAL CG2 :A 28 VAL 1HG1 : -0.471: 71
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.437: 71
: 1687:A 8 VAL 1HG2 :A 81 ALA O : -0.410: 14
: 1687:A 88 THR OG1 :A 38 SER 1HB : -0.615: 63
: 1687:A 30 ASN O :A 60 LYS HA : -0.590: 71
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.570: 33
: 1687:A 94 GLU HA :A 97 ASN OD1 : -0.565: 71
: 1687:A 39 THR 3HG2 :A 83 VAL CG2 : -0.473: 65
: 1687:A 83 VAL 3HG1 :A 97 ASN 2HD2 : -0.446: 43
: 1687:A 18 VAL 2HG2 :A 19 ASN ND2 : -0.552: 74
: 1687:A 85 GLU 2HG :A 42 ARG 1HD : -0.547: 35
: 1687:A 35 GLY 1HA :A 58 GLY 1HA : -0.544: 61
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.543: 44
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.529: 41
: 1687:A 7 THR HB :A 96 ASN 2HD2 : -0.428: 41
: 1687:A 45 ILE 1HG1 :A 79 ILE 1HG1 : -0.525: 42
: 1687:A 95 ASN 1HB :A 93 ASN 1HD2 : -0.519: 75
: 1687:A 90 VAL O :A 4 PRO 1HD : -0.518: 71
: 1687:A 4 PRO 1HB :A 91 GLU 1HG : -0.502: 74
: 1687:A 36 VAL 1HG2 :A 4 PRO 2HB : -0.474: 74
: 1687:A 89 VAL CG2 :A 4 PRO 1HG : -0.451: 22
: 1687:A 4 PRO 2HD :A 3 PHE HA : -0.411: 75
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.475: 72
: 1687:A 98 VAL 2HG2 :A 82 THR 2HG2 : -0.469: 55
: 1687:A 77 TYR OH :A 73 GLN 2HB : -0.452: 31
: 1687:A 71 PRO 2HB :A 69 TRP CZ2 : -0.434: 72
: 1687:A 53 TRP CD2 :A 65 LEU 3HD1 : -0.423: 73
: 1687:A 24 TYR 1HB :A 67 PHE CZ : -0.422: 72
: 1687:A 105 VAL HA :A 16 VAL O : -0.402: 50
#sum2 ::17.78 clashscore : 6.98 clashscore B<40
#summary::1687 atoms:859 atoms B<40:189737 potential dots:11860.0 A^2:30 bumps:6 bumps B<40:440.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.771: 34
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.637: 34
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.642: 42
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.621: 23
: 1687:A 11 LYS 2HB :A 25 GLU 1HB : -0.580: 72
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.570: 62
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.566: 62
: 1687:A 89 VAL 1HG2 :A 4 PRO 2HG : -0.456: 12
: 1687:A 45 ILE 1HG1 :A 79 ILE 1HG1 : -0.558: 55
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.535: 32
: 1687:A 105 VAL 1HG1 :A 71 PRO 1HB : -0.496: 35
: 1687:A 71 PRO 1HD :A 20 LYS O : -0.494: 33
: 1687:A 30 ASN O :A 60 LYS HA : -0.481: 31
: 1687:A 42 ARG NH2 :A 85 GLU 1HB : -0.462: 75
: 1687:A 52 ASN CB :A 42 ARG 1HG : -0.450: 61
: 1687:A 42 ARG 1HG :A 52 ASN 2HB : -0.417: 61
: 1687:A 42 ARG 1HH1 :A 42 ARG 2HD : -0.403: 26
: 1687:A 10 ILE 1HD1 :A 81 ALA N : -0.438: 70
: 1687:A 107 LEU 3HD2 :A 18 VAL 1HG1 : -0.422: 72
: 1687:A 87 ASN 2HD2 :A 87 ASN HA : -0.412: 61
: 1687:A 19 ASN OD1 :A 72 THR HA : -0.410: 42
: 1687:A 15 VAL 2HG2 :A 104 SER 1HB : -0.406: 53
#sum2 ::13.04 clashscore : 10.39 clashscore B<40
#summary::1687 atoms:866 atoms B<40:189784 potential dots:11860.0 A^2:22 bumps:9 bumps B<40:478.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.697: 65
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.569: 66
: 1687:A 28 VAL 1HG1 :A 41 VAL CG2 : -0.461: 65
: 1687:A 99 ALA 2HB :A 8 VAL O : -0.454: 14
: 1687:A 99 ALA 2HB :A 8 VAL 3HG2 : -0.410: 20
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.606: 54
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.592: 74
: 1687:A 90 VAL O :A 4 PRO 1HD : -0.458: 43
: 1687:A 4 PRO 2HB :A 34 ILE 3HG2 : -0.443: 62
: 1687:A 18 VAL 2HG2 :A 19 ASN ND2 : -0.570: 52
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.548: 34
: 1687:A 30 ASN O :A 60 LYS HA : -0.516: 64
: 1687:A 45 ILE 1HG1 :A 79 ILE 1HG1 : -0.514: 73
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.502: 72
: 1687:A 88 THR OG1 :A 38 SER 1HB : -0.457: 33
: 1687:A 63 LYS 1HG :A 57 LEU 1HD2 : -0.450: 31
: 1687:A 63 LYS 1HG :A 57 LEU CD2 : -0.434: 31
: 1687:A 98 VAL 2HG2 :A 82 THR 2HG2 : -0.436: 73
: 1687:A 6 LEU 1HD1 :A 36 VAL 1HG1 : -0.433: 74
: 1687:A 44 TYR HA :A 48 THR O : -0.425: 54
: 1687:A 26 VAL HB :A 65 LEU 1HB : -0.422: 72
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.419: 44
: 1687:A 69 TRP CH2 :A 71 PRO 2HB : -0.409: 75
: 1687:A 12 GLY 2HA :A 24 TYR CD2 : -0.407: 62
: 1687:A 43 VAL 3HG2 :A 53 TRP HZ3 : -0.405: 65
: 1687:A 77 TYR OH :A 73 GLN 2HB : -0.403: 42
#sum2 ::15.41 clashscore : 7.22 clashscore B<40
#summary::1687 atoms:831 atoms B<40:189753 potential dots:11860.0 A^2:26 bumps:6 bumps B<40:410.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.645: 52
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.598: 52
: 1687:A 99 ALA 2HB :A 8 VAL 3HG2 : -0.556: 75
: 1687:A 6 LEU 2HD2 :A 57 LEU 2HD1 : -0.538: 24
: 1687:A 28 VAL 2HG2 :A 63 LYS O : -0.418: 53
: 1687:A 28 VAL 3HG2 :A 57 LEU 1HD2 : -0.407: 64
: 1687:A 63 LYS 2HB :A 63 LYS NZ : -0.407: 50
: 1687:A 30 ASN O :A 60 LYS HA : -0.587: 55
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.556: 63
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.539: 53
: 1687:A 90 VAL O :A 4 PRO 1HD : -0.502: 54
: 1687:A 89 VAL 1HG2 :A 4 PRO 2HG : -0.422: 5
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.538: 54
: 1687:A 53 TRP CZ2 :A 51 LYS 1HG : -0.509: 53
: 1687:A 52 ASN N :A 51 LYS 2HG : -0.437: 44
: 1687:A 105 VAL 1HG1 :A 71 PRO 1HB : -0.495: 61
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.481: 74
: 1687:A 29 LYS 2HG :A 7 THR 3HG2 : -0.465: 54
: 1687:A 96 ASN CG :A 7 THR HB : -0.454: 74
: 1687:A 7 THR CG2 :A 29 LYS 2HG : -0.439: 54
: 1687:A 7 THR HB :A 96 ASN OD1 : -0.435: 74
: 1687:A 5 ASP 2HB :A 31 LEU 1HB : -0.478: 52
: 1687:A 39 THR 3HG2 :A 83 VAL CG2 : -0.445: 51
: 1687:A 102 ASP HA :A 78 ARG HA : -0.440: 24
: 1687:A 107 LEU 3HD2 :A 18 VAL 1HG1 : -0.423: 63
#sum2 ::14.82 clashscore : 3.61 clashscore B<40
#summary::1687 atoms:830 atoms B<40:189757 potential dots:11860.0 A^2:25 bumps:3 bumps B<40:467.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.647: 74
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.642: 23
: 1687:A 6 LEU 2HD2 :A 57 LEU 2HD1 : -0.547: 41
: 1687:A 28 VAL 3HG2 :A 57 LEU 1HD2 : -0.501: 71
: 1687:A 62 GLU HA :A 28 VAL O : -0.466: 63
: 1687:A 99 ALA CB :A 8 VAL 3HG2 : -0.457: 55
: 1687:A 41 VAL CG2 :A 28 VAL 1HG1 : -0.450: 23
: 1687:A 63 LYS 1HG :A 57 LEU CD2 : -0.407: 32
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.632: 72
: 1687:A 93 ASN ND2 :A 96 ASN 1HB : -0.579: 33
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.588: 72
: 1687:A 107 LEU 3HD2 :A 18 VAL 1HG1 : -0.581: 71
: 1687:A 30 ASN O :A 60 LYS HA : -0.578: 24
: 1687:A 85 GLU 1HB :A 42 ARG NH1 : -0.571: 33
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.565: 61
: 1687:A 98 VAL 2HG2 :A 82 THR 2HG2 : -0.544: 65
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.541: 33
: 1687:A 25 GLU 1HG :A 66 THR 2HG2 : -0.523: 32
: 1687:A 39 THR HA :A 84 ASP OD1 : -0.495: 34
: 1687:A 90 VAL O :A 4 PRO 1HD : -0.444: 32
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.413: 33
: 1687:A 35 GLY 1HA :A 58 GLY 1HA : -0.426: 62
: 1687:A 24 TYR 1HB :A 67 PHE CZ : -0.414: 51
: 1687:A 50 TYR HE2 :A 67 PHE 1HB : -0.400: 52
: 1687:A 71 PRO 2HB :A 69 TRP CH2 : -0.400: 51
#sum2 ::14.82 clashscore : 13.14 clashscore B<40
#summary::1687 atoms:837 atoms B<40:189701 potential dots:11860.0 A^2:25 bumps:11 bumps B<40:435 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 85 GLU 2HG :A 42 ARG 1HD : -0.622: 65
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.614: 74
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.550: 74
: 1687:A 63 LYS 1HB :A 28 VAL CG2 : -0.504: 41
: 1687:A 99 ALA 2HB :A 8 VAL O : -0.495: 60
: 1687:A 99 ALA CB :A 8 VAL 3HG2 : -0.475: 73
: 1687:A 99 ALA 2HB :A 8 VAL 3HG2 : -0.435: 73
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.605: 54
: 1687:A 31 LEU 1HB :A 5 ASP OD2 : -0.402: 45
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.589: 22
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.585: 51
: 1687:A 45 ILE 1HG1 :A 79 ILE 1HG1 : -0.550: 61
: 1687:A 18 VAL 2HG2 :A 19 ASN ND2 : -0.533: 14
: 1687:A 30 ASN O :A 60 LYS HA : -0.512: 34
: 1687:A 98 VAL 2HG2 :A 82 THR 2HG2 : -0.505: 34
: 1687:A 89 VAL 1HG2 :A 4 PRO 1HG : -0.490: 42
: 1687:A 66 THR 2HG2 :A 25 GLU 2HG : -0.490: 72
: 1687:A 3 PHE HA :A 4 PRO 2HD : -0.419: 62
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.409: 60
: 1687:A 1 MET SD :A 1 MET N : -0.483: 44
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.483: 64
: 1687:A 50 TYR CE2 :A 51 LYS 1HE : -0.464: 31
: 1687:A 6 LEU 2HD2 :A 57 LEU 2HD1 : -0.435: 50
: 1687:A 71 PRO 1HD :A 20 LYS O : -0.428: 61
: 1687:A 67 PHE CZ :A 24 TYR 1HB : -0.404: 55
#sum2 ::14.82 clashscore : 6.26 clashscore B<40
#summary::1687 atoms:799 atoms B<40:189797 potential dots:11860.0 A^2:25 bumps:5 bumps B<40:430.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.641: 54
: 1687:A 4 PRO 1HG :A 91 GLU OE2 : -0.493: 43
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.637: 71
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.569: 71
: 1687:A 99 ALA 2HB :A 8 VAL O : -0.493: 61
: 1687:A 99 ALA CB :A 8 VAL 3HG2 : -0.471: 44
: 1687:A 99 ALA 2HB :A 8 VAL 3HG2 : -0.466: 44
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.611: 73
: 1687:A 26 VAL HA :A 9 GLU O : -0.408: 12
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.585: 64
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.582: 55
: 1687:A 5 ASP 2HB :A 31 LEU 1HB : -0.540: 54
: 1687:A 61 GLU O :A 29 LYS HA : -0.400: 71
: 1687:A 40 LYS O :A 83 VAL HA : -0.578: 44
: 1687:A 83 VAL 3HG1 :A 97 ASN 2HD2 : -0.457: 62
: 1687:A 39 THR 3HG2 :A 83 VAL CG2 : -0.414: 42
: 1687:A 94 GLU HA :A 97 ASN OD1 : -0.411: 4
: 1687:A 30 ASN O :A 60 LYS HA : -0.563: 52
: 1687:A 98 VAL 2HG2 :A 82 THR 2HG2 : -0.551: 54
: 1687:A 82 THR OG1 :A 44 TYR HE1 : -0.421: 71
: 1687:A 6 LEU 1HD1 :A 36 VAL 1HG1 : -0.539: 72
: 1687:A 18 VAL 2HG2 :A 19 ASN ND2 : -0.534: 14
: 1687:A 35 GLY 1HA :A 58 GLY 1HA : -0.495: 11
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.484: 50
: 1687:A 45 ILE 1HG1 :A 79 ILE 1HG1 : -0.481: 52
: 1687:A 71 PRO 2HB :A 69 TRP CZ2 : -0.479: 64
: 1687:A 67 PHE 2HB :A 51 LYS 2HD : -0.433: 74
: 1687:A 24 TYR 1HB :A 67 PHE CZ : -0.426: 55
: 1687:A 85 GLU CD :A 85 GLU H : -0.431: 34
: 1687:A 74 GLU H :A 74 GLU CD : -0.428: 34
#sum2 ::17.78 clashscore : 6.74 clashscore B<40
#summary::1687 atoms:890 atoms B<40:189758 potential dots:11860.0 A^2:30 bumps:6 bumps B<40:443.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 30 ASN O :A 60 LYS HA : -0.648: 41
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.614: 25
: 1687:A 34 ILE 2HD1 :A 2 GLU 1HB : -0.509: 4
: 1687:A 4 PRO 2HB :A 34 ILE 3HG2 : -0.507: 73
: 1687:A 90 VAL O :A 4 PRO 1HD : -0.413: 53
: 1687:A 34 ILE O :A 30 ASN ND2 : -0.402: 53
: 1687:A 85 GLU 2HG :A 42 ARG 1HD : -0.637: 12
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.633: 52
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.629: 52
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.618: 24
: 1687:A 26 VAL HA :A 9 GLU O : -0.422: 44
: 1687:A 18 VAL 2HG2 :A 19 ASN ND2 : -0.578: 31
: 1687:A 45 ILE 1HG1 :A 79 ILE 1HG1 : -0.567: 45
: 1687:A 78 ARG O :A 45 ILE HA : -0.426: 66
: 1687:A 98 VAL 2HG2 :A 82 THR 2HG2 : -0.551: 22
: 1687:A 6 LEU 2HD2 :A 57 LEU 2HD1 : -0.531: 45
: 1687:A 63 LYS 1HG :A 57 LEU CD2 : -0.445: 21
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.523: 40
: 1687:A 29 LYS 2HG :A 7 THR 3HG2 : -0.472: 62
: 1687:A 62 GLU 2HG :A 29 LYS 2HB : -0.406: 65
: 1687:A 92 LEU 2HD1 :A 5 ASP 1HB : -0.477: 11
: 1687:A 76 MET SD :A 77 TYR N : -0.462: 44
: 1687:A 76 MET SD :A 76 MET C : -0.433: 61
: 1687:A 86 GLU 1HB :A 88 THR 3HG2 : -0.447: 64
: 1687:A 88 THR OG1 :A 38 SER 1HB : -0.433: 43
: 1687:A 39 THR 3HG2 :A 83 VAL CG2 : -0.438: 31
: 1687:A 105 VAL 1HG1 :A 71 PRO 1HB : -0.434: 43
: 1687:A 24 TYR 1HB :A 67 PHE CZ : -0.434: 23
: 1687:A 67 PHE O :A 23 GLU HA : -0.400: 41
#sum2 ::17.19 clashscore : 11.36 clashscore B<40
#summary::1687 atoms:880 atoms B<40:189640 potential dots:11850.0 A^2:29 bumps:10 bumps B<40:387.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.830: 43
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.623: 41
: 1687:A 8 VAL 3HG1 :A 83 VAL HB : -0.529: 41
: 1687:A 83 VAL 1HG2 :A 6 LEU 2HB : -0.490: 63
: 1687:A 83 VAL 2HG1 :A 97 ASN HA : -0.468: 63
: 1687:A 39 THR 3HG2 :A 83 VAL CG2 : -0.459: 72
: 1687:A 83 VAL 3HG2 :A 39 THR 3HG2 : -0.431: 72
: 1687:A 28 VAL 3HG2 :A 57 LEU 1HD2 : -0.412: 70
: 1687:A 8 VAL 3HG2 :A 99 ALA CB : -0.403: 74
: 1687:A 85 GLU 2HG :A 42 ARG 1HD : -0.706: 55
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.607: 43
: 1687:A 90 VAL O :A 4 PRO 1HD : -0.401: 64
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.563: 35
: 1687:A 25 GLU 1HG :A 66 THR 2HG2 : -0.563: 43
: 1687:A 62 GLU 2HG :A 29 LYS 2HB : -0.515: 73
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.550: 43
: 1687:A 98 VAL 2HG2 :A 82 THR 2HG2 : -0.542: 71
: 1687:A 30 ASN O :A 60 LYS HA : -0.530: 71
: 1687:A 35 GLY 1HA :A 58 GLY 1HA : -0.510: 51
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.503: 41
: 1687:A 53 TRP CZ2 :A 51 LYS 2HE : -0.483: 54
: 1687:A 96 ASN CG :A 7 THR HB : -0.482: 62
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.472: 51
: 1687:A 44 TYR O :A 79 ILE HA : -0.475: 74
: 1687:A 88 THR OG1 :A 38 SER 1HB : -0.475: 42
: 1687:A 102 ASP HA :A 78 ARG HA : -0.435: 63
: 1687:A 71 PRO 1HD :A 20 LYS O : -0.427: 63
: 1687:A 69 TRP CH2 :A 71 PRO 2HB : -0.402: 73
: 1687:A 2 GLU CD :A 2 GLU N : -0.412: 62
: 1687:A 67 PHE CZ :A 24 TYR 1HB : -0.404: 74
#sum2 ::17.78 clashscore : 1.25 clashscore B<40
#summary::1687 atoms:803 atoms B<40:189807 potential dots:11860.0 A^2:30 bumps:1 bumps B<40:398.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.614: 51
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.591: 23
: 1687:A 30 ASN O :A 60 LYS HA : -0.579: 51
: 1687:A 6 LEU 2HD2 :A 57 LEU 2HD1 : -0.574: 10
: 1687:A 57 LEU O :A 35 GLY 1HA : -0.413: 63
: 1687:A 98 VAL 2HG2 :A 82 THR 2HG2 : -0.570: 14
: 1687:A 98 VAL HA :A 81 ALA O : -0.414: 41
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.568: 65
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.504: 65
: 1687:A 18 VAL 2HG2 :A 19 ASN ND2 : -0.555: 73
: 1687:A 45 ILE 1HG1 :A 79 ILE 1HG1 : -0.544: 32
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.536: 61
: 1687:A 96 ASN 1HB :A 93 ASN CG : -0.414: 12
: 1687:A 85 GLU 2HG :A 42 ARG 1HD : -0.521: 73
: 1687:A 52 ASN 1HB :A 42 ARG 1HG : -0.422: 73
: 1687:A 71 PRO 1HD :A 20 LYS O : -0.514: 62
: 1687:A 105 VAL 1HG1 :A 71 PRO 1HB : -0.422: 31
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.495: 44
: 1687:A 89 VAL 1HG2 :A 4 PRO 2HG : -0.454: 65
: 1687:A 80 ASN OD1 :A 78 ARG 1HG : -0.478: 21
: 1687:A 86 GLU 1HB :A 88 THR 3HG2 : -0.467: 35
: 1687:A 15 VAL 2HG2 :A 104 SER 1HB : -0.452: 23
: 1687:A 53 TRP CZ2 :A 51 LYS 2HE : -0.437: 44
: 1687:A 46 ASN 1HD2 :A 77 TYR HA : -0.432: 24
: 1687:A 66 THR 2HG2 :A 25 GLU 2HG : -0.406: 75
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.403: 63
#sum2 ::15.41 clashscore : 11.07 clashscore B<40
#summary::1687 atoms:903 atoms B<40:189692 potential dots:11860.0 A^2:26 bumps:10 bumps B<40:443.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 85 GLU 2HG :A 42 ARG 1HD : -0.709: 61
: 1687:A 85 GLU 2HB :A 42 ARG NH1 : -0.464: 72
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.651: 45
: 1687:A 98 VAL 2HG2 :A 82 THR 2HG2 : -0.587: 74
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.582: 71
: 1687:A 6 LEU 2HD2 :A 57 LEU 2HD1 : -0.482: 43
: 1687:A 83 VAL 1HG2 :A 6 LEU 2HB : -0.459: 72
: 1687:A 83 VAL HB :A 8 VAL CG1 : -0.451: 71
: 1687:A 99 ALA O :A 80 ASN HA : -0.443: 24
: 1687:A 41 VAL HA :A 82 THR O : -0.440: 44
: 1687:A 99 ALA 2HB :A 8 VAL 3HG2 : -0.417: 65
: 1687:A 91 GLU 1HG :A 4 PRO 1HG : -0.631: 21
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.521: 12
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.577: 30
: 1687:A 71 PRO 1HD :A 20 LYS O : -0.563: 21
: 1687:A 30 ASN O :A 60 LYS HA : -0.557: 42
: 1687:A 102 ASP HA :A 78 ARG HA : -0.509: 26
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.499: 74
: 1687:A 94 GLU HA :A 97 ASN OD1 : -0.475: 53
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.468: 43
: 1687:A 10 ILE 3HD1 :A 79 ILE 2HG2 : -0.419: 45
: 1687:A 7 THR HB :A 96 ASN 2HD2 : -0.416: 72
#sum2 ::13.04 clashscore : 7.18 clashscore B<40
#summary::1687 atoms:836 atoms B<40:189792 potential dots:11860.0 A^2:22 bumps:6 bumps B<40:455 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1687:A 41 VAL 1HG2 :A 28 VAL 1HG1 : -0.653: 41
: 1687:A 28 VAL 2HG1 :A 8 VAL 2HG1 : -0.651: 74
: 1687:A 29 LYS 2HB :A 62 GLU 1HB : -0.556: 64
: 1687:A 99 ALA 2HB :A 8 VAL 3HG2 : -0.489: 13
: 1687:A 62 GLU HA :A 28 VAL O : -0.441: 54
: 1687:A 31 LEU 1HD2 :A 29 LYS 2HD : -0.430: 64
: 1687:A 28 VAL O :A 28 VAL 3HG2 : -0.416: 23
: 1687:A 5 ASP 2HB :A 31 LEU 1HB : -0.403: 41
: 1687:A 96 ASN ND2 :A 7 THR HB : -0.613: 54
: 1687:A 96 ASN 1HB :A 93 ASN ND2 : -0.405: 45
: 1687:A 27 HIS 1HB :A 9 GLU 1HB : -0.592: 30
: 1687:A 4 PRO HA :A 32 GLY 2HA : -0.584: 44
: 1687:A 6 LEU 1HD1 :A 36 VAL 1HG1 : -0.532: 62
: 1687:A 63 LYS 1HG :A 57 LEU CD2 : -0.498: 75
: 1687:A 6 LEU 2HD2 :A 57 LEU 2HD1 : -0.491: 73
: 1687:A 36 VAL 1HG2 :A 4 PRO 2HB : -0.482: 54
: 1687:A 89 VAL 1HG2 :A 4 PRO 1HG : -0.477: 63
: 1687:A 90 VAL O :A 4 PRO 1HD : -0.468: 72
: 1687:A 63 LYS 1HG :A 57 LEU 1HD2 : -0.425: 75
: 1687:A 89 VAL CG2 :A 4 PRO 1HG : -0.425: 63
: 1687:A 4 PRO 2HD :A 3 PHE HA : -0.414: 71
: 1687:A 68 SER 2HB :A 21 LEU 1HD1 : -0.576: 53
: 1687:A 30 ASN O :A 60 LYS HA : -0.551: 45
: 1687:A 52 ASN N :A 52 ASN 2HD2 : -0.548: 32
: 1687:A 78 ARG 1HD :A 100 THR 3HG2 : -0.520: 34
: 1687:A 45 ILE 1HG1 :A 79 ILE 1HG1 : -0.516: 54
: 1687:A 18 VAL 2HG2 :A 19 ASN ND2 : -0.514: 42
: 1687:A 74 GLU HA :A 105 VAL HB : -0.497: 54
: 1687:A 35 GLY 1HA :A 58 GLY 1HA : -0.487: 4
: 1687:A 86 GLU 1HB :A 88 THR 3HG2 : -0.469: 33
: 1687:A 106 VAL HB :A 108 GLU 1HG : -0.452: 31
: 1687:A 42 ARG 2HD :A 49 LEU 3HD1 : -0.417: 61
: 1687:A 97 ASN 2HD2 :A 83 VAL 3HG1 : -0.409: 64
#sum2 ::19.56 clashscore : 9.16 clashscore B<40
#summary::1687 atoms:873 atoms B<40:189648 potential dots:11850.0 A^2:33 bumps:8 bumps B<40:408.4 score
Output from PDB validation software
Summary from PDB validation
May. 10, 14:55:32 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 2HE MET 1 - A HZ PHE 3 10 Dist = 1.51
A 3HG1 VAL 28 - A 2HG2 VAL 41 17 Dist = 1.54
A 2HG1 VAL 28 - A 2HG2 VAL 41 10 Dist = 1.58
A 2HG1 VAL 28 - A 2HG2 VAL 41 5 Dist = 1.59
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 0.008 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 ASN 19 1HD2
1 A ASN 19 2HD2
1 A ASN 30 1HD2
1 A ASN 30 2HD2
1 A ASN 46 1HD2
1 A ASN 46 2HD2
1 A ASN 52 1HD2
1 A ASN 52 2HD2
1 A GLN 73 1HE2
1 A GLN 73 2HE2
1 A ASN 80 1HD2
1 A ASN 80 2HD2
1 A ASN 87 1HD2
1 A ASN 87 2HD2
1 A ASN 93 1HD2
1 A ASN 93 2HD2
1 A ASN 95 1HD2
1 A ASN 95 2HD2
1 A ASN 96 1HD2
1 A ASN 96 2HD2
1 A ASN 97 1HD2
1 A ASN 97 2HD2
2 A ASN 19 1HD2
2 A ASN 19 2HD2
2 A ASN 30 1HD2
2 A ASN 30 2HD2
2 A ASN 46 1HD2
2 A ASN 46 2HD2
2 A ASN 52 1HD2
2 A ASN 52 2HD2
2 A GLN 73 1HE2
2 A GLN 73 2HE2
2 A ASN 80 1HD2
2 A ASN 80 2HD2
2 A ASN 87 1HD2
2 A ASN 87 2HD2
2 A ASN 93 1HD2
2 A ASN 93 2HD2
2 A ASN 95 1HD2
2 A ASN 95 2HD2
2 A ASN 96 1HD2
2 A ASN 96 2HD2
2 A ASN 97 1HD2
2 A ASN 97 2HD2
3 A ASN 19 1HD2
3 A ASN 19 2HD2
3 A ASN 30 1HD2
3 A ASN 30 2HD2
3 A ASN 46 1HD2
3 A ASN 46 2HD2
3 A ASN 52 1HD2
3 A ASN 52 2HD2
3 A GLN 73 1HE2
3 A GLN 73 2HE2
3 A ASN 80 1HD2
3 A ASN 80 2HD2
3 A ASN 87 1HD2
3 A ASN 87 2HD2
3 A ASN 93 1HD2
3 A ASN 93 2HD2
3 A ASN 95 1HD2
3 A ASN 95 2HD2
3 A ASN 96 1HD2
3 A ASN 96 2HD2
3 A ASN 97 1HD2
3 A ASN 97 2HD2
4 A ASN 19 1HD2
4 A ASN 19 2HD2
4 A ASN 30 1HD2
4 A ASN 30 2HD2
4 A ASN 46 1HD2
4 A ASN 46 2HD2
4 A ASN 52 1HD2
4 A ASN 52 2HD2
4 A GLN 73 1HE2
4 A GLN 73 2HE2
4 A ASN 80 1HD2
4 A ASN 80 2HD2
4 A ASN 87 1HD2
4 A ASN 87 2HD2
4 A ASN 93 1HD2
4 A ASN 93 2HD2
4 A ASN 95 1HD2
4 A ASN 95 2HD2
4 A ASN 96 1HD2
4 A ASN 96 2HD2
4 A ASN 97 1HD2
4 A ASN 97 2HD2
5 A ASN 19 1HD2
5 A ASN 19 2HD2
5 A ASN 30 1HD2
5 A ASN 30 2HD2
5 A ASN 46 1HD2
5 A ASN 46 2HD2
5 A ASN 52 1HD2
5 A ASN 52 2HD2
5 A GLN 73 1HE2
5 A GLN 73 2HE2
5 A ASN 80 1HD2
5 A ASN 80 2HD2
5 A ASN 87 1HD2
5 A ASN 87 2HD2
5 A ASN 93 1HD2
5 A ASN 93 2HD2
5 A ASN 95 1HD2
5 A ASN 95 2HD2
5 A ASN 96 1HD2
5 A ASN 96 2HD2
5 A ASN 97 1HD2
5 A ASN 97 2HD2
6 A ASN 19 1HD2
6 A ASN 19 2HD2
6 A ASN 30 1HD2
6 A ASN 30 2HD2
6 A ASN 46 1HD2
6 A ASN 46 2HD2
6 A ASN 52 1HD2
6 A ASN 52 2HD2
6 A GLN 73 1HE2
6 A GLN 73 2HE2
6 A ASN 80 1HD2
6 A ASN 80 2HD2
6 A ASN 87 1HD2
6 A ASN 87 2HD2
6 A ASN 93 1HD2
6 A ASN 93 2HD2
6 A ASN 95 1HD2
6 A ASN 95 2HD2
6 A ASN 96 1HD2
6 A ASN 96 2HD2
6 A ASN 97 1HD2
6 A ASN 97 2HD2
7 A ASN 19 1HD2
7 A ASN 19 2HD2
7 A ASN 30 1HD2
7 A ASN 30 2HD2
7 A ASN 46 1HD2
7 A ASN 46 2HD2
7 A ASN 52 1HD2
7 A ASN 52 2HD2
7 A GLN 73 1HE2
7 A GLN 73 2HE2
7 A ASN 80 1HD2
7 A ASN 80 2HD2
7 A ASN 87 1HD2
7 A ASN 87 2HD2
7 A ASN 93 1HD2
7 A ASN 93 2HD2
7 A ASN 95 1HD2
7 A ASN 95 2HD2
7 A ASN 96 1HD2
7 A ASN 96 2HD2
7 A ASN 97 1HD2
7 A ASN 97 2HD2
8 A ASN 19 1HD2
8 A ASN 19 2HD2
8 A ASN 30 1HD2
8 A ASN 30 2HD2
8 A ASN 46 1HD2
8 A ASN 46 2HD2
8 A ASN 52 1HD2
8 A ASN 52 2HD2
8 A GLN 73 1HE2
8 A GLN 73 2HE2
8 A ASN 80 1HD2
8 A ASN 80 2HD2
8 A ASN 87 1HD2
8 A ASN 87 2HD2
8 A ASN 93 1HD2
8 A ASN 93 2HD2
8 A ASN 95 1HD2
8 A ASN 95 2HD2
8 A ASN 96 1HD2
8 A ASN 96 2HD2
8 A ASN 97 1HD2
8 A ASN 97 2HD2
9 A ASN 19 1HD2
9 A ASN 19 2HD2
9 A ASN 30 1HD2
9 A ASN 30 2HD2
9 A ASN 46 1HD2
9 A ASN 46 2HD2
9 A ASN 52 1HD2
9 A ASN 52 2HD2
9 A GLN 73 1HE2
9 A GLN 73 2HE2
9 A ASN 80 1HD2
9 A ASN 80 2HD2
9 A ASN 87 1HD2
9 A ASN 87 2HD2
9 A ASN 93 1HD2
9 A ASN 93 2HD2
9 A ASN 95 1HD2
9 A ASN 95 2HD2
9 A ASN 96 1HD2
9 A ASN 96 2HD2
9 A ASN 97 1HD2
9 A ASN 97 2HD2
10 A ASN 19 1HD2
10 A ASN 19 2HD2
10 A ASN 30 1HD2
10 A ASN 30 2HD2
10 A ASN 46 1HD2
10 A ASN 46 2HD2
10 A ASN 52 1HD2
10 A ASN 52 2HD2
10 A GLN 73 1HE2
10 A GLN 73 2HE2
10 A ASN 80 1HD2
10 A ASN 80 2HD2
10 A ASN 87 1HD2
10 A ASN 87 2HD2
10 A ASN 93 1HD2
10 A ASN 93 2HD2
10 A ASN 95 1HD2
10 A ASN 95 2HD2
10 A ASN 96 1HD2
10 A ASN 96 2HD2
10 A ASN 97 1HD2
10 A ASN 97 2HD2
11 A ASN 19 1HD2
11 A ASN 19 2HD2
11 A ASN 30 1HD2
11 A ASN 30 2HD2
11 A ASN 46 1HD2
11 A ASN 46 2HD2
11 A ASN 52 1HD2
11 A ASN 52 2HD2
11 A GLN 73 1HE2
11 A GLN 73 2HE2
11 A ASN 80 1HD2
11 A ASN 80 2HD2
11 A ASN 87 1HD2
11 A ASN 87 2HD2
11 A ASN 93 1HD2
11 A ASN 93 2HD2
11 A ASN 95 1HD2
11 A ASN 95 2HD2
11 A ASN 96 1HD2
11 A ASN 96 2HD2
11 A ASN 97 1HD2
11 A ASN 97 2HD2
12 A ASN 19 1HD2
12 A ASN 19 2HD2
12 A ASN 30 1HD2
12 A ASN 30 2HD2
12 A ASN 46 1HD2
12 A ASN 46 2HD2
12 A ASN 52 1HD2
12 A ASN 52 2HD2
12 A GLN 73 1HE2
12 A GLN 73 2HE2
12 A ASN 80 1HD2
12 A ASN 80 2HD2
12 A ASN 87 1HD2
12 A ASN 87 2HD2
12 A ASN 93 1HD2
12 A ASN 93 2HD2
12 A ASN 95 1HD2
12 A ASN 95 2HD2
12 A ASN 96 1HD2
12 A ASN 96 2HD2
12 A ASN 97 1HD2
12 A ASN 97 2HD2
13 A ASN 19 1HD2
13 A ASN 19 2HD2
13 A ASN 30 1HD2
13 A ASN 30 2HD2
13 A ASN 46 1HD2
13 A ASN 46 2HD2
13 A ASN 52 1HD2
13 A ASN 52 2HD2
13 A GLN 73 1HE2
13 A GLN 73 2HE2
13 A ASN 80 1HD2
13 A ASN 80 2HD2
13 A ASN 87 1HD2
13 A ASN 87 2HD2
13 A ASN 93 1HD2
13 A ASN 93 2HD2
13 A ASN 95 1HD2
13 A ASN 95 2HD2
13 A ASN 96 1HD2
13 A ASN 96 2HD2
13 A ASN 97 1HD2
13 A ASN 97 2HD2
14 A ASN 19 1HD2
14 A ASN 19 2HD2
14 A ASN 30 1HD2
14 A ASN 30 2HD2
14 A ASN 46 1HD2
14 A ASN 46 2HD2
14 A ASN 52 1HD2
14 A ASN 52 2HD2
14 A GLN 73 1HE2
14 A GLN 73 2HE2
14 A ASN 80 1HD2
14 A ASN 80 2HD2
14 A ASN 87 1HD2
14 A ASN 87 2HD2
14 A ASN 93 1HD2
14 A ASN 93 2HD2
14 A ASN 95 1HD2
14 A ASN 95 2HD2
14 A ASN 96 1HD2
14 A ASN 96 2HD2
14 A ASN 97 1HD2
14 A ASN 97 2HD2
15 A ASN 19 1HD2
15 A ASN 19 2HD2
15 A ASN 30 1HD2
15 A ASN 30 2HD2
15 A ASN 46 1HD2
15 A ASN 46 2HD2
15 A ASN 52 1HD2
15 A ASN 52 2HD2
15 A GLN 73 1HE2
15 A GLN 73 2HE2
15 A ASN 80 1HD2
15 A ASN 80 2HD2
15 A ASN 87 1HD2
15 A ASN 87 2HD2
15 A ASN 93 1HD2
15 A ASN 93 2HD2
15 A ASN 95 1HD2
15 A ASN 95 2HD2
15 A ASN 96 1HD2
15 A ASN 96 2HD2
15 A ASN 97 1HD2
15 A ASN 97 2HD2
16 A ASN 19 1HD2
16 A ASN 19 2HD2
16 A ASN 30 1HD2
16 A ASN 30 2HD2
16 A ASN 46 1HD2
16 A ASN 46 2HD2
16 A ASN 52 1HD2
16 A ASN 52 2HD2
16 A GLN 73 1HE2
16 A GLN 73 2HE2
16 A ASN 80 1HD2
16 A ASN 80 2HD2
16 A ASN 87 1HD2
16 A ASN 87 2HD2
16 A ASN 93 1HD2
16 A ASN 93 2HD2
16 A ASN 95 1HD2
16 A ASN 95 2HD2
16 A ASN 96 1HD2
16 A ASN 96 2HD2
16 A ASN 97 1HD2
16 A ASN 97 2HD2
17 A ASN 19 1HD2
17 A ASN 19 2HD2
17 A ASN 30 1HD2
17 A ASN 30 2HD2
17 A ASN 46 1HD2
17 A ASN 46 2HD2
17 A ASN 52 1HD2
17 A ASN 52 2HD2
17 A GLN 73 1HE2
17 A GLN 73 2HE2
17 A ASN 80 1HD2
17 A ASN 80 2HD2
17 A ASN 87 1HD2
17 A ASN 87 2HD2
17 A ASN 93 1HD2
17 A ASN 93 2HD2
17 A ASN 95 1HD2
17 A ASN 95 2HD2
17 A ASN 96 1HD2
17 A ASN 96 2HD2
17 A ASN 97 1HD2
17 A ASN 97 2HD2
18 A ASN 19 1HD2
18 A ASN 19 2HD2
18 A ASN 30 1HD2
18 A ASN 30 2HD2
18 A ASN 46 1HD2
18 A ASN 46 2HD2
18 A ASN 52 1HD2
18 A ASN 52 2HD2
18 A GLN 73 1HE2
18 A GLN 73 2HE2
18 A ASN 80 1HD2
18 A ASN 80 2HD2
18 A ASN 87 1HD2
18 A ASN 87 2HD2
18 A ASN 93 1HD2
18 A ASN 93 2HD2
18 A ASN 95 1HD2
18 A ASN 95 2HD2
18 A ASN 96 1HD2
18 A ASN 96 2HD2
18 A ASN 97 1HD2
18 A ASN 97 2HD2
19 A ASN 19 1HD2
19 A ASN 19 2HD2
19 A ASN 30 1HD2
19 A ASN 30 2HD2
19 A ASN 46 1HD2
19 A ASN 46 2HD2
19 A ASN 52 1HD2
19 A ASN 52 2HD2
19 A GLN 73 1HE2
19 A GLN 73 2HE2
19 A ASN 80 1HD2
19 A ASN 80 2HD2
19 A ASN 87 1HD2
19 A ASN 87 2HD2
19 A ASN 93 1HD2
19 A ASN 93 2HD2
19 A ASN 95 1HD2
19 A ASN 95 2HD2
19 A ASN 96 1HD2
19 A ASN 96 2HD2
19 A ASN 97 1HD2
19 A ASN 97 2HD2
20 A ASN 19 1HD2
20 A ASN 19 2HD2
20 A ASN 30 1HD2
20 A ASN 30 2HD2
20 A ASN 46 1HD2
20 A ASN 46 2HD2
20 A ASN 52 1HD2
20 A ASN 52 2HD2
20 A GLN 73 1HE2
20 A GLN 73 2HE2
20 A ASN 80 1HD2
20 A ASN 80 2HD2
20 A ASN 87 1HD2
20 A ASN 87 2HD2
20 A ASN 93 1HD2
20 A ASN 93 2HD2
20 A ASN 95 1HD2
20 A ASN 95 2HD2
20 A ASN 96 1HD2
20 A ASN 96 2HD2
20 A ASN 97 1HD2
20 A ASN 97 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-113 )
GLU( 1 A-112 )
PHE( 1 A-111 )
PRO( 1 A-110 )
ASP( 1 A-109 )
LEU( 1 A-108 )
THR( 1 A-107 )
VAL( 1 A-106 )
GLU( 1 A-105 )
ILE( 1 A-104 )
LYS( 1 A-103 )
GLY( 1 A-102 )
PRO( 1 A-101 )
ASP( 1 A-100 )
VAL( 1 A -99 )
VAL( 1 A -98 )
GLY( 1 A -97 )
VAL( 1 A -96 )
ASN( 1 A -95 )
LYS( 1 A -94 )
LEU( 1 A -93 )
ALA( 1 A -92 )
GLU( 1 A -91 )
TYR( 1 A -90 )
GLU( 1 A -89 )
VAL( 1 A -88 )
HIS( 1 A -87 )
VAL( 1 A -86 )
LYS( 1 A -85 )
ASN( 1 A -84 )
LEU( 1 A -83 )
GLY( 1 A -82 )
GLY( 1 A -81 )
ILE( 1 A -80 )
GLY( 1 A -79 )
VAL( 1 A -78 )
PRO( 1 A -77 )
SER( 1 A -76 )
THR( 1 A -75 )
LYS( 1 A -74 )
VAL( 1 A -73 )
ARG( 1 A -72 )
VAL( 1 A -71 )
TYR( 1 A -70 )
ILE( 1 A -69 )
ASN( 1 A -68 )
GLY( 1 A -67 )
THR( 1 A -66 )
LEU( 1 A -65 )
TYR( 1 A -64 )
LYS( 1 A -63 )
ASN( 1 A -62 )
TRP( 1 A -61 )
THR( 1 A -60 )
VAL( 1 A -59 )
SER( 1 A -58 )
LEU( 1 A -57 )
GLY( 1 A -56 )
PRO( 1 A -55 )
LYS( 1 A -54 )
GLU( 1 A -53 )
GLU( 1 A -52 )
LYS( 1 A -51 )
VAL( 1 A -50 )
LEU( 1 A -49 )
THR( 1 A -48 )
PHE( 1 A -47 )
SER( 1 A -46 )
TRP( 1 A -45 )
THR( 1 A -44 )
PRO( 1 A -43 )
THR( 1 A -42 )
GLN( 1 A -41 )
GLU( 1 A -40 )
GLY( 1 A -39 )
MET( 1 A -38 )
TYR( 1 A -37 )
ARG( 1 A -36 )
ILE( 1 A -35 )
ASN( 1 A -34 )
ALA( 1 A -33 )
THR( 1 A -32 )
VAL( 1 A -31 )
ASP( 1 A -30 )
GLU( 1 A -29 )
GLU( 1 A -28 )
ASN( 1 A -27 )
THR( 1 A -26 )
VAL( 1 A -25 )
VAL( 1 A -24 )
GLU( 1 A -23 )
LEU( 1 A -22 )
ASN( 1 A -21 )
GLU( 1 A -20 )
ASN( 1 A -19 )
ASN( 1 A -18 )
ASN( 1 A -17 )
VAL( 1 A -16 )
ALA( 1 A -15 )
THR( 1 A -14 )
PHE( 1 A -13 )
ASP( 1 A -12 )
VAL( 1 A -11 )
SER( 1 A -10 )
VAL( 1 A -9 )
VAL( 1 A -8 )
LEU( 1 A -7 )
GLU( 1 A -6 )
HIS( 1 A -5 )
HIS( 1 A -4 )
HIS( 1 A -3 )
HIS( 1 A -2 )
HIS( 1 A -1 )
HIS( 1 A 0 )
MET( 2 A-113 )
GLU( 2 A-112 )
PHE( 2 A-111 )
PRO( 2 A-110 )
ASP( 2 A-109 )
LEU( 2 A-108 )
THR( 2 A-107 )
VAL( 2 A-106 )
GLU( 2 A-105 )
ILE( 2 A-104 )
LYS( 2 A-103 )
GLY( 2 A-102 )
PRO( 2 A-101 )
ASP( 2 A-100 )
VAL( 2 A -99 )
VAL( 2 A -98 )
GLY( 2 A -97 )
VAL( 2 A -96 )
ASN( 2 A -95 )
LYS( 2 A -94 )
LEU( 2 A -93 )
ALA( 2 A -92 )
GLU( 2 A -91 )
TYR( 2 A -90 )
GLU( 2 A -89 )
VAL( 2 A -88 )
HIS( 2 A -87 )
VAL( 2 A -86 )
LYS( 2 A -85 )
ASN( 2 A -84 )
LEU( 2 A -83 )
GLY( 2 A -82 )
GLY( 2 A -81 )
ILE( 2 A -80 )
GLY( 2 A -79 )
VAL( 2 A -78 )
PRO( 2 A -77 )
SER( 2 A -76 )
THR( 2 A -75 )
LYS( 2 A -74 )
VAL( 2 A -73 )
ARG( 2 A -72 )
VAL( 2 A -71 )
TYR( 2 A -70 )
ILE( 2 A -69 )
ASN( 2 A -68 )
GLY( 2 A -67 )
THR( 2 A -66 )
LEU( 2 A -65 )
TYR( 2 A -64 )
LYS( 2 A -63 )
ASN( 2 A -62 )
TRP( 2 A -61 )
THR( 2 A -60 )
VAL( 2 A -59 )
SER( 2 A -58 )
LEU( 2 A -57 )
GLY( 2 A -56 )
PRO( 2 A -55 )
LYS( 2 A -54 )
GLU( 2 A -53 )
GLU( 2 A -52 )
LYS( 2 A -51 )
VAL( 2 A -50 )
LEU( 2 A -49 )
THR( 2 A -48 )
PHE( 2 A -47 )
SER( 2 A -46 )
TRP( 2 A -45 )
THR( 2 A -44 )
PRO( 2 A -43 )
THR( 2 A -42 )
GLN( 2 A -41 )
GLU( 2 A -40 )
GLY( 2 A -39 )
MET( 2 A -38 )
TYR( 2 A -37 )
ARG( 2 A -36 )
ILE( 2 A -35 )
ASN( 2 A -34 )
ALA( 2 A -33 )
THR( 2 A -32 )
VAL( 2 A -31 )
ASP( 2 A -30 )
GLU( 2 A -29 )
GLU( 2 A -28 )
ASN( 2 A -27 )
THR( 2 A -26 )
VAL( 2 A -25 )
VAL( 2 A -24 )
GLU( 2 A -23 )
LEU( 2 A -22 )
ASN( 2 A -21 )
GLU( 2 A -20 )
ASN( 2 A -19 )
ASN( 2 A -18 )
ASN( 2 A -17 )
VAL( 2 A -16 )
ALA( 2 A -15 )
THR( 2 A -14 )
PHE( 2 A -13 )
ASP( 2 A -12 )
VAL( 2 A -11 )
SER( 2 A -10 )
VAL( 2 A -9 )
VAL( 2 A -8 )
LEU( 2 A -7 )
GLU( 2 A -6 )
HIS( 2 A -5 )
HIS( 2 A -4 )
HIS( 2 A -3 )
HIS( 2 A -2 )
HIS( 2 A -1 )
HIS( 2 A 0 )
MET( 3 A-113 )
GLU( 3 A-112 )
PHE( 3 A-111 )
PRO( 3 A-110 )
ASP( 3 A-109 )
LEU( 3 A-108 )
THR( 3 A-107 )
VAL( 3 A-106 )
GLU( 3 A-105 )
ILE( 3 A-104 )
LYS( 3 A-103 )
GLY( 3 A-102 )
PRO( 3 A-101 )
ASP( 3 A-100 )
VAL( 3 A -99 )
VAL( 3 A -98 )
GLY( 3 A -97 )
VAL( 3 A -96 )
ASN( 3 A -95 )
LYS( 3 A -94 )
LEU( 3 A -93 )
ALA( 3 A -92 )
GLU( 3 A -91 )
TYR( 3 A -90 )
GLU( 3 A -89 )
VAL( 3 A -88 )
HIS( 3 A -87 )
VAL( 3 A -86 )
LYS( 3 A -85 )
ASN( 3 A -84 )
LEU( 3 A -83 )
GLY( 3 A -82 )
GLY( 3 A -81 )
ILE( 3 A -80 )
GLY( 3 A -79 )
VAL( 3 A -78 )
PRO( 3 A -77 )
SER( 3 A -76 )
THR( 3 A -75 )
LYS( 3 A -74 )
VAL( 3 A -73 )
ARG( 3 A -72 )
VAL( 3 A -71 )
TYR( 3 A -70 )
ILE( 3 A -69 )
ASN( 3 A -68 )
GLY( 3 A -67 )
THR( 3 A -66 )
LEU( 3 A -65 )
TYR( 3 A -64 )
LYS( 3 A -63 )
ASN( 3 A -62 )
TRP( 3 A -61 )
THR( 3 A -60 )
VAL( 3 A -59 )
SER( 3 A -58 )
LEU( 3 A -57 )
GLY( 3 A -56 )
PRO( 3 A -55 )
LYS( 3 A -54 )
GLU( 3 A -53 )
GLU( 3 A -52 )
LYS( 3 A -51 )
VAL( 3 A -50 )
LEU( 3 A -49 )
THR( 3 A -48 )
PHE( 3 A -47 )
SER( 3 A -46 )
TRP( 3 A -45 )
THR( 3 A -44 )
PRO( 3 A -43 )
THR( 3 A -42 )
GLN( 3 A -41 )
GLU( 3 A -40 )
GLY( 3 A -39 )
MET( 3 A -38 )
TYR( 3 A -37 )
ARG( 3 A -36 )
ILE( 3 A -35 )
ASN( 3 A -34 )
ALA( 3 A -33 )
THR( 3 A -32 )
VAL( 3 A -31 )
ASP( 3 A -30 )
GLU( 3 A -29 )
GLU( 3 A -28 )
ASN( 3 A -27 )
THR( 3 A -26 )
VAL( 3 A -25 )
VAL( 3 A -24 )
GLU( 3 A -23 )
LEU( 3 A -22 )
ASN( 3 A -21 )
GLU( 3 A -20 )
ASN( 3 A -19 )
ASN( 3 A -18 )
ASN( 3 A -17 )
VAL( 3 A -16 )
ALA( 3 A -15 )
THR( 3 A -14 )
PHE( 3 A -13 )
ASP( 3 A -12 )
VAL( 3 A -11 )
SER( 3 A -10 )
VAL( 3 A -9 )
VAL( 3 A -8 )
LEU( 3 A -7 )
GLU( 3 A -6 )
HIS( 3 A -5 )
HIS( 3 A -4 )
HIS( 3 A -3 )
HIS( 3 A -2 )
HIS( 3 A -1 )
HIS( 3 A 0 )
MET( 4 A-113 )
GLU( 4 A-112 )
PHE( 4 A-111 )
PRO( 4 A-110 )
ASP( 4 A-109 )
LEU( 4 A-108 )
THR( 4 A-107 )
VAL( 4 A-106 )
GLU( 4 A-105 )
ILE( 4 A-104 )
LYS( 4 A-103 )
GLY( 4 A-102 )
PRO( 4 A-101 )
ASP( 4 A-100 )
VAL( 4 A -99 )
VAL( 4 A -98 )
GLY( 4 A -97 )
VAL( 4 A -96 )
ASN( 4 A -95 )
LYS( 4 A -94 )
LEU( 4 A -93 )
ALA( 4 A -92 )
GLU( 4 A -91 )
TYR( 4 A -90 )
GLU( 4 A -89 )
VAL( 4 A -88 )
HIS( 4 A -87 )
VAL( 4 A -86 )
LYS( 4 A -85 )
ASN( 4 A -84 )
LEU( 4 A -83 )
GLY( 4 A -82 )
GLY( 4 A -81 )
ILE( 4 A -80 )
GLY( 4 A -79 )
VAL( 4 A -78 )
PRO( 4 A -77 )
SER( 4 A -76 )
THR( 4 A -75 )
LYS( 4 A -74 )
VAL( 4 A -73 )
ARG( 4 A -72 )
VAL( 4 A -71 )
TYR( 4 A -70 )
ILE( 4 A -69 )
ASN( 4 A -68 )
GLY( 4 A -67 )
THR( 4 A -66 )
LEU( 4 A -65 )
TYR( 4 A -64 )
LYS( 4 A -63 )
ASN( 4 A -62 )
TRP( 4 A -61 )
THR( 4 A -60 )
VAL( 4 A -59 )
SER( 4 A -58 )
LEU( 4 A -57 )
GLY( 4 A -56 )
PRO( 4 A -55 )
LYS( 4 A -54 )
GLU( 4 A -53 )
GLU( 4 A -52 )
LYS( 4 A -51 )
VAL( 4 A -50 )
LEU( 4 A -49 )
THR( 4 A -48 )
PHE( 4 A -47 )
SER( 4 A -46 )
TRP( 4 A -45 )
THR( 4 A -44 )
PRO( 4 A -43 )
THR( 4 A -42 )
GLN( 4 A -41 )
GLU( 4 A -40 )
GLY( 4 A -39 )
MET( 4 A -38 )
TYR( 4 A -37 )
ARG( 4 A -36 )
ILE( 4 A -35 )
ASN( 4 A -34 )
ALA( 4 A -33 )
THR( 4 A -32 )
VAL( 4 A -31 )
ASP( 4 A -30 )
GLU( 4 A -29 )
GLU( 4 A -28 )
ASN( 4 A -27 )
THR( 4 A -26 )
VAL( 4 A -25 )
VAL( 4 A -24 )
GLU( 4 A -23 )
LEU( 4 A -22 )
ASN( 4 A -21 )
GLU( 4 A -20 )
ASN( 4 A -19 )
ASN( 4 A -18 )
ASN( 4 A -17 )
VAL( 4 A -16 )
ALA( 4 A -15 )
THR( 4 A -14 )
PHE( 4 A -13 )
ASP( 4 A -12 )
VAL( 4 A -11 )
SER( 4 A -10 )
VAL( 4 A -9 )
VAL( 4 A -8 )
LEU( 4 A -7 )
GLU( 4 A -6 )
HIS( 4 A -5 )
HIS( 4 A -4 )
HIS( 4 A -3 )
HIS( 4 A -2 )
HIS( 4 A -1 )
HIS( 4 A 0 )
MET( 5 A-113 )
GLU( 5 A-112 )
PHE( 5 A-111 )
PRO( 5 A-110 )
ASP( 5 A-109 )
LEU( 5 A-108 )
THR( 5 A-107 )
VAL( 5 A-106 )
GLU( 5 A-105 )
ILE( 5 A-104 )
LYS( 5 A-103 )
GLY( 5 A-102 )
PRO( 5 A-101 )
ASP( 5 A-100 )
VAL( 5 A -99 )
VAL( 5 A -98 )
GLY( 5 A -97 )
VAL( 5 A -96 )
ASN( 5 A -95 )
LYS( 5 A -94 )
LEU( 5 A -93 )
ALA( 5 A -92 )
GLU( 5 A -91 )
TYR( 5 A -90 )
GLU( 5 A -89 )
VAL( 5 A -88 )
HIS( 5 A -87 )
VAL( 5 A -86 )
LYS( 5 A -85 )
ASN( 5 A -84 )
LEU( 5 A -83 )
GLY( 5 A -82 )
GLY( 5 A -81 )
ILE( 5 A -80 )
GLY( 5 A -79 )
VAL( 5 A -78 )
PRO( 5 A -77 )
SER( 5 A -76 )
THR( 5 A -75 )
LYS( 5 A -74 )
VAL( 5 A -73 )
ARG( 5 A -72 )
VAL( 5 A -71 )
TYR( 5 A -70 )
ILE( 5 A -69 )
ASN( 5 A -68 )
GLY( 5 A -67 )
THR( 5 A -66 )
LEU( 5 A -65 )
TYR( 5 A -64 )
LYS( 5 A -63 )
ASN( 5 A -62 )
TRP( 5 A -61 )
THR( 5 A -60 )
VAL( 5 A -59 )
SER( 5 A -58 )
LEU( 5 A -57 )
GLY( 5 A -56 )
PRO( 5 A -55 )
LYS( 5 A -54 )
GLU( 5 A -53 )
GLU( 5 A -52 )
LYS( 5 A -51 )
VAL( 5 A -50 )
LEU( 5 A -49 )
THR( 5 A -48 )
PHE( 5 A -47 )
SER( 5 A -46 )
TRP( 5 A -45 )
THR( 5 A -44 )
PRO( 5 A -43 )
THR( 5 A -42 )
GLN( 5 A -41 )
GLU( 5 A -40 )
GLY( 5 A -39 )
MET( 5 A -38 )
TYR( 5 A -37 )
ARG( 5 A -36 )
ILE( 5 A -35 )
ASN( 5 A -34 )
ALA( 5 A -33 )
THR( 5 A -32 )
VAL( 5 A -31 )
ASP( 5 A -30 )
GLU( 5 A -29 )
GLU( 5 A -28 )
ASN( 5 A -27 )
THR( 5 A -26 )
VAL( 5 A -25 )
VAL( 5 A -24 )
GLU( 5 A -23 )
LEU( 5 A -22 )
ASN( 5 A -21 )
GLU( 5 A -20 )
ASN( 5 A -19 )
ASN( 5 A -18 )
ASN( 5 A -17 )
VAL( 5 A -16 )
ALA( 5 A -15 )
THR( 5 A -14 )
PHE( 5 A -13 )
ASP( 5 A -12 )
VAL( 5 A -11 )
SER( 5 A -10 )
VAL( 5 A -9 )
VAL( 5 A -8 )
LEU( 5 A -7 )
GLU( 5 A -6 )
HIS( 5 A -5 )
HIS( 5 A -4 )
HIS( 5 A -3 )
HIS( 5 A -2 )
HIS( 5 A -1 )
HIS( 5 A 0 )
MET( 6 A-113 )
GLU( 6 A-112 )
PHE( 6 A-111 )
PRO( 6 A-110 )
ASP( 6 A-109 )
LEU( 6 A-108 )
THR( 6 A-107 )
VAL( 6 A-106 )
GLU( 6 A-105 )
ILE( 6 A-104 )
LYS( 6 A-103 )
GLY( 6 A-102 )
PRO( 6 A-101 )
ASP( 6 A-100 )
VAL( 6 A -99 )
VAL( 6 A -98 )
GLY( 6 A -97 )
VAL( 6 A -96 )
ASN( 6 A -95 )
LYS( 6 A -94 )
LEU( 6 A -93 )
ALA( 6 A -92 )
GLU( 6 A -91 )
TYR( 6 A -90 )
GLU( 6 A -89 )
VAL( 6 A -88 )
HIS( 6 A -87 )
VAL( 6 A -86 )
LYS( 6 A -85 )
ASN( 6 A -84 )
LEU( 6 A -83 )
GLY( 6 A -82 )
GLY( 6 A -81 )
ILE( 6 A -80 )
GLY( 6 A -79 )
VAL( 6 A -78 )
PRO( 6 A -77 )
SER( 6 A -76 )
THR( 6 A -75 )
LYS( 6 A -74 )
VAL( 6 A -73 )
ARG( 6 A -72 )
VAL( 6 A -71 )
TYR( 6 A -70 )
ILE( 6 A -69 )
ASN( 6 A -68 )
GLY( 6 A -67 )
THR( 6 A -66 )
LEU( 6 A -65 )
TYR( 6 A -64 )
LYS( 6 A -63 )
ASN( 6 A -62 )
TRP( 6 A -61 )
THR( 6 A -60 )
VAL( 6 A -59 )
SER( 6 A -58 )
LEU( 6 A -57 )
GLY( 6 A -56 )
PRO( 6 A -55 )
LYS( 6 A -54 )
GLU( 6 A -53 )
GLU( 6 A -52 )
LYS( 6 A -51 )
VAL( 6 A -50 )
LEU( 6 A -49 )
THR( 6 A -48 )
PHE( 6 A -47 )
SER( 6 A -46 )
TRP( 6 A -45 )
THR( 6 A -44 )
PRO( 6 A -43 )
THR( 6 A -42 )
GLN( 6 A -41 )
GLU( 6 A -40 )
GLY( 6 A -39 )
MET( 6 A -38 )
TYR( 6 A -37 )
ARG( 6 A -36 )
ILE( 6 A -35 )
ASN( 6 A -34 )
ALA( 6 A -33 )
THR( 6 A -32 )
VAL( 6 A -31 )
ASP( 6 A -30 )
GLU( 6 A -29 )
GLU( 6 A -28 )
ASN( 6 A -27 )
THR( 6 A -26 )
VAL( 6 A -25 )
VAL( 6 A -24 )
GLU( 6 A -23 )
LEU( 6 A -22 )
ASN( 6 A -21 )
GLU( 6 A -20 )
ASN( 6 A -19 )
ASN( 6 A -18 )
ASN( 6 A -17 )
VAL( 6 A -16 )
ALA( 6 A -15 )
THR( 6 A -14 )
PHE( 6 A -13 )
ASP( 6 A -12 )
VAL( 6 A -11 )
SER( 6 A -10 )
VAL( 6 A -9 )
VAL( 6 A -8 )
LEU( 6 A -7 )
GLU( 6 A -6 )
HIS( 6 A -5 )
HIS( 6 A -4 )
HIS( 6 A -3 )
HIS( 6 A -2 )
HIS( 6 A -1 )
HIS( 6 A 0 )
MET( 7 A-113 )
GLU( 7 A-112 )
PHE( 7 A-111 )
PRO( 7 A-110 )
ASP( 7 A-109 )
LEU( 7 A-108 )
THR( 7 A-107 )
VAL( 7 A-106 )
GLU( 7 A-105 )
ILE( 7 A-104 )
LYS( 7 A-103 )
GLY( 7 A-102 )
PRO( 7 A-101 )
ASP( 7 A-100 )
VAL( 7 A -99 )
VAL( 7 A -98 )
GLY( 7 A -97 )
VAL( 7 A -96 )
ASN( 7 A -95 )
LYS( 7 A -94 )
LEU( 7 A -93 )
ALA( 7 A -92 )
GLU( 7 A -91 )
TYR( 7 A -90 )
GLU( 7 A -89 )
VAL( 7 A -88 )
HIS( 7 A -87 )
VAL( 7 A -86 )
LYS( 7 A -85 )
ASN( 7 A -84 )
LEU( 7 A -83 )
GLY( 7 A -82 )
GLY( 7 A -81 )
ILE( 7 A -80 )
GLY( 7 A -79 )
VAL( 7 A -78 )
PRO( 7 A -77 )
SER( 7 A -76 )
THR( 7 A -75 )
LYS( 7 A -74 )
VAL( 7 A -73 )
ARG( 7 A -72 )
VAL( 7 A -71 )
TYR( 7 A -70 )
ILE( 7 A -69 )
ASN( 7 A -68 )
GLY( 7 A -67 )
THR( 7 A -66 )
LEU( 7 A -65 )
TYR( 7 A -64 )
LYS( 7 A -63 )
ASN( 7 A -62 )
TRP( 7 A -61 )
THR( 7 A -60 )
VAL( 7 A -59 )
SER( 7 A -58 )
LEU( 7 A -57 )
GLY( 7 A -56 )
PRO( 7 A -55 )
LYS( 7 A -54 )
GLU( 7 A -53 )
GLU( 7 A -52 )
LYS( 7 A -51 )
VAL( 7 A -50 )
LEU( 7 A -49 )
THR( 7 A -48 )
PHE( 7 A -47 )
SER( 7 A -46 )
TRP( 7 A -45 )
THR( 7 A -44 )
PRO( 7 A -43 )
THR( 7 A -42 )
GLN( 7 A -41 )
GLU( 7 A -40 )
GLY( 7 A -39 )
MET( 7 A -38 )
TYR( 7 A -37 )
ARG( 7 A -36 )
ILE( 7 A -35 )
ASN( 7 A -34 )
ALA( 7 A -33 )
THR( 7 A -32 )
VAL( 7 A -31 )
ASP( 7 A -30 )
GLU( 7 A -29 )
GLU( 7 A -28 )
ASN( 7 A -27 )
THR( 7 A -26 )
VAL( 7 A -25 )
VAL( 7 A -24 )
GLU( 7 A -23 )
LEU( 7 A -22 )
ASN( 7 A -21 )
GLU( 7 A -20 )
ASN( 7 A -19 )
ASN( 7 A -18 )
ASN( 7 A -17 )
VAL( 7 A -16 )
ALA( 7 A -15 )
THR( 7 A -14 )
PHE( 7 A -13 )
ASP( 7 A -12 )
VAL( 7 A -11 )
SER( 7 A -10 )
VAL( 7 A -9 )
VAL( 7 A -8 )
LEU( 7 A -7 )
GLU( 7 A -6 )
HIS( 7 A -5 )
HIS( 7 A -4 )
HIS( 7 A -3 )
HIS( 7 A -2 )
HIS( 7 A -1 )
HIS( 7 A 0 )
MET( 8 A-113 )
GLU( 8 A-112 )
PHE( 8 A-111 )
PRO( 8 A-110 )
ASP( 8 A-109 )
LEU( 8 A-108 )
THR( 8 A-107 )
VAL( 8 A-106 )
GLU( 8 A-105 )
ILE( 8 A-104 )
LYS( 8 A-103 )
GLY( 8 A-102 )
PRO( 8 A-101 )
ASP( 8 A-100 )
VAL( 8 A -99 )
VAL( 8 A -98 )
GLY( 8 A -97 )
VAL( 8 A -96 )
ASN( 8 A -95 )
LYS( 8 A -94 )
LEU( 8 A -93 )
ALA( 8 A -92 )
GLU( 8 A -91 )
TYR( 8 A -90 )
GLU( 8 A -89 )
VAL( 8 A -88 )
HIS( 8 A -87 )
VAL( 8 A -86 )
LYS( 8 A -85 )
ASN( 8 A -84 )
LEU( 8 A -83 )
GLY( 8 A -82 )
GLY( 8 A -81 )
ILE( 8 A -80 )
GLY( 8 A -79 )
VAL( 8 A -78 )
PRO( 8 A -77 )
SER( 8 A -76 )
THR( 8 A -75 )
LYS( 8 A -74 )
VAL( 8 A -73 )
ARG( 8 A -72 )
VAL( 8 A -71 )
TYR( 8 A -70 )
ILE( 8 A -69 )
ASN( 8 A -68 )
GLY( 8 A -67 )
THR( 8 A -66 )
LEU( 8 A -65 )
TYR( 8 A -64 )
LYS( 8 A -63 )
ASN( 8 A -62 )
TRP( 8 A -61 )
THR( 8 A -60 )
VAL( 8 A -59 )
SER( 8 A -58 )
LEU( 8 A -57 )
GLY( 8 A -56 )
PRO( 8 A -55 )
LYS( 8 A -54 )
GLU( 8 A -53 )
GLU( 8 A -52 )
LYS( 8 A -51 )
VAL( 8 A -50 )
LEU( 8 A -49 )
THR( 8 A -48 )
PHE( 8 A -47 )
SER( 8 A -46 )
TRP( 8 A -45 )
THR( 8 A -44 )
PRO( 8 A -43 )
THR( 8 A -42 )
GLN( 8 A -41 )
GLU( 8 A -40 )
GLY( 8 A -39 )
MET( 8 A -38 )
TYR( 8 A -37 )
ARG( 8 A -36 )
ILE( 8 A -35 )
ASN( 8 A -34 )
ALA( 8 A -33 )
THR( 8 A -32 )
VAL( 8 A -31 )
ASP( 8 A -30 )
GLU( 8 A -29 )
GLU( 8 A -28 )
ASN( 8 A -27 )
THR( 8 A -26 )
VAL( 8 A -25 )
VAL( 8 A -24 )
GLU( 8 A -23 )
LEU( 8 A -22 )
ASN( 8 A -21 )
GLU( 8 A -20 )
ASN( 8 A -19 )
ASN( 8 A -18 )
ASN( 8 A -17 )
VAL( 8 A -16 )
ALA( 8 A -15 )
THR( 8 A -14 )
PHE( 8 A -13 )
ASP( 8 A -12 )
VAL( 8 A -11 )
SER( 8 A -10 )
VAL( 8 A -9 )
VAL( 8 A -8 )
LEU( 8 A -7 )
GLU( 8 A -6 )
HIS( 8 A -5 )
HIS( 8 A -4 )
HIS( 8 A -3 )
HIS( 8 A -2 )
HIS( 8 A -1 )
HIS( 8 A 0 )
MET( 9 A-113 )
GLU( 9 A-112 )
PHE( 9 A-111 )
PRO( 9 A-110 )
ASP( 9 A-109 )
LEU( 9 A-108 )
THR( 9 A-107 )
VAL( 9 A-106 )
GLU( 9 A-105 )
ILE( 9 A-104 )
LYS( 9 A-103 )
GLY( 9 A-102 )
PRO( 9 A-101 )
ASP( 9 A-100 )
VAL( 9 A -99 )
VAL( 9 A -98 )
GLY( 9 A -97 )
VAL( 9 A -96 )
ASN( 9 A -95 )
LYS( 9 A -94 )
LEU( 9 A -93 )
ALA( 9 A -92 )
GLU( 9 A -91 )
TYR( 9 A -90 )
GLU( 9 A -89 )
VAL( 9 A -88 )
HIS( 9 A -87 )
VAL( 9 A -86 )
LYS( 9 A -85 )
ASN( 9 A -84 )
LEU( 9 A -83 )
GLY( 9 A -82 )
GLY( 9 A -81 )
ILE( 9 A -80 )
GLY( 9 A -79 )
VAL( 9 A -78 )
PRO( 9 A -77 )
SER( 9 A -76 )
THR( 9 A -75 )
LYS( 9 A -74 )
VAL( 9 A -73 )
ARG( 9 A -72 )
VAL( 9 A -71 )
TYR( 9 A -70 )
ILE( 9 A -69 )
ASN( 9 A -68 )
GLY( 9 A -67 )
THR( 9 A -66 )
LEU( 9 A -65 )
TYR( 9 A -64 )
LYS( 9 A -63 )
ASN( 9 A -62 )
TRP( 9 A -61 )
THR( 9 A -60 )
VAL( 9 A -59 )
SER( 9 A -58 )
LEU( 9 A -57 )
GLY( 9 A -56 )
PRO( 9 A -55 )
LYS( 9 A -54 )
GLU( 9 A -53 )
GLU( 9 A -52 )
LYS( 9 A -51 )
VAL( 9 A -50 )
LEU( 9 A -49 )
THR( 9 A -48 )
PHE( 9 A -47 )
SER( 9 A -46 )
TRP( 9 A -45 )
THR( 9 A -44 )
PRO( 9 A -43 )
THR( 9 A -42 )
GLN( 9 A -41 )
GLU( 9 A -40 )
GLY( 9 A -39 )
MET( 9 A -38 )
TYR( 9 A -37 )
ARG( 9 A -36 )
ILE( 9 A -35 )
ASN( 9 A -34 )
ALA( 9 A -33 )
THR( 9 A -32 )
VAL( 9 A -31 )
ASP( 9 A -30 )
GLU( 9 A -29 )
GLU( 9 A -28 )
ASN( 9 A -27 )
THR( 9 A -26 )
VAL( 9 A -25 )
VAL( 9 A -24 )
GLU( 9 A -23 )
LEU( 9 A -22 )
ASN( 9 A -21 )
GLU( 9 A -20 )
ASN( 9 A -19 )
ASN( 9 A -18 )
ASN( 9 A -17 )
VAL( 9 A -16 )
ALA( 9 A -15 )
THR( 9 A -14 )
PHE( 9 A -13 )
ASP( 9 A -12 )
VAL( 9 A -11 )
SER( 9 A -10 )
VAL( 9 A -9 )
VAL( 9 A -8 )
LEU( 9 A -7 )
GLU( 9 A -6 )
HIS( 9 A -5 )
HIS( 9 A -4 )
HIS( 9 A -3 )
HIS( 9 A -2 )
HIS( 9 A -1 )
HIS( 9 A 0 )
MET( 10 A-113 )
GLU( 10 A-112 )
PHE( 10 A-111 )
PRO( 10 A-110 )
ASP( 10 A-109 )
LEU( 10 A-108 )
THR( 10 A-107 )
VAL( 10 A-106 )
GLU( 10 A-105 )
ILE( 10 A-104 )
LYS( 10 A-103 )
GLY( 10 A-102 )
PRO( 10 A-101 )
ASP( 10 A-100 )
VAL( 10 A -99 )
VAL( 10 A -98 )
GLY( 10 A -97 )
VAL( 10 A -96 )
ASN( 10 A -95 )
LYS( 10 A -94 )
LEU( 10 A -93 )
ALA( 10 A -92 )
GLU( 10 A -91 )
TYR( 10 A -90 )
GLU( 10 A -89 )
VAL( 10 A -88 )
HIS( 10 A -87 )
VAL( 10 A -86 )
LYS( 10 A -85 )
ASN( 10 A -84 )
LEU( 10 A -83 )
GLY( 10 A -82 )
GLY( 10 A -81 )
ILE( 10 A -80 )
GLY( 10 A -79 )
VAL( 10 A -78 )
PRO( 10 A -77 )
SER( 10 A -76 )
THR( 10 A -75 )
LYS( 10 A -74 )
VAL( 10 A -73 )
ARG( 10 A -72 )
VAL( 10 A -71 )
TYR( 10 A -70 )
ILE( 10 A -69 )
ASN( 10 A -68 )
GLY( 10 A -67 )
THR( 10 A -66 )
LEU( 10 A -65 )
TYR( 10 A -64 )
LYS( 10 A -63 )
ASN( 10 A -62 )
TRP( 10 A -61 )
THR( 10 A -60 )
VAL( 10 A -59 )
SER( 10 A -58 )
LEU( 10 A -57 )
GLY( 10 A -56 )
PRO( 10 A -55 )
LYS( 10 A -54 )
GLU( 10 A -53 )
GLU( 10 A -52 )
LYS( 10 A -51 )
VAL( 10 A -50 )
LEU( 10 A -49 )
THR( 10 A -48 )
PHE( 10 A -47 )
SER( 10 A -46 )
TRP( 10 A -45 )
THR( 10 A -44 )
PRO( 10 A -43 )
THR( 10 A -42 )
GLN( 10 A -41 )
GLU( 10 A -40 )
GLY( 10 A -39 )
MET( 10 A -38 )
TYR( 10 A -37 )
ARG( 10 A -36 )
ILE( 10 A -35 )
ASN( 10 A -34 )
ALA( 10 A -33 )
THR( 10 A -32 )
VAL( 10 A -31 )
ASP( 10 A -30 )
GLU( 10 A -29 )
GLU( 10 A -28 )
ASN( 10 A -27 )
THR( 10 A -26 )
VAL( 10 A -25 )
VAL( 10 A -24 )
GLU( 10 A -23 )
LEU( 10 A -22 )
ASN( 10 A -21 )
GLU( 10 A -20 )
ASN( 10 A -19 )
ASN( 10 A -18 )
ASN( 10 A -17 )
VAL( 10 A -16 )
ALA( 10 A -15 )
THR( 10 A -14 )
PHE( 10 A -13 )
ASP( 10 A -12 )
VAL( 10 A -11 )
SER( 10 A -10 )
VAL( 10 A -9 )
VAL( 10 A -8 )
LEU( 10 A -7 )
GLU( 10 A -6 )
HIS( 10 A -5 )
HIS( 10 A -4 )
HIS( 10 A -3 )
HIS( 10 A -2 )
HIS( 10 A -1 )
HIS( 10 A 0 )
MET( 11 A-113 )
GLU( 11 A-112 )
PHE( 11 A-111 )
PRO( 11 A-110 )
ASP( 11 A-109 )
LEU( 11 A-108 )
THR( 11 A-107 )
VAL( 11 A-106 )
GLU( 11 A-105 )
ILE( 11 A-104 )
LYS( 11 A-103 )
GLY( 11 A-102 )
PRO( 11 A-101 )
ASP( 11 A-100 )
VAL( 11 A -99 )
VAL( 11 A -98 )
GLY( 11 A -97 )
VAL( 11 A -96 )
ASN( 11 A -95 )
LYS( 11 A -94 )
LEU( 11 A -93 )
ALA( 11 A -92 )
GLU( 11 A -91 )
TYR( 11 A -90 )
GLU( 11 A -89 )
VAL( 11 A -88 )
HIS( 11 A -87 )
VAL( 11 A -86 )
LYS( 11 A -85 )
ASN( 11 A -84 )
LEU( 11 A -83 )
GLY( 11 A -82 )
GLY( 11 A -81 )
ILE( 11 A -80 )
GLY( 11 A -79 )
VAL( 11 A -78 )
PRO( 11 A -77 )
SER( 11 A -76 )
THR( 11 A -75 )
LYS( 11 A -74 )
VAL( 11 A -73 )
ARG( 11 A -72 )
VAL( 11 A -71 )
TYR( 11 A -70 )
ILE( 11 A -69 )
ASN( 11 A -68 )
GLY( 11 A -67 )
THR( 11 A -66 )
LEU( 11 A -65 )
TYR( 11 A -64 )
LYS( 11 A -63 )
ASN( 11 A -62 )
TRP( 11 A -61 )
THR( 11 A -60 )
VAL( 11 A -59 )
SER( 11 A -58 )
LEU( 11 A -57 )
GLY( 11 A -56 )
PRO( 11 A -55 )
LYS( 11 A -54 )
GLU( 11 A -53 )
GLU( 11 A -52 )
LYS( 11 A -51 )
VAL( 11 A -50 )
LEU( 11 A -49 )
THR( 11 A -48 )
PHE( 11 A -47 )
SER( 11 A -46 )
TRP( 11 A -45 )
THR( 11 A -44 )
PRO( 11 A -43 )
THR( 11 A -42 )
GLN( 11 A -41 )
GLU( 11 A -40 )
GLY( 11 A -39 )
MET( 11 A -38 )
TYR( 11 A -37 )
ARG( 11 A -36 )
ILE( 11 A -35 )
ASN( 11 A -34 )
ALA( 11 A -33 )
THR( 11 A -32 )
VAL( 11 A -31 )
ASP( 11 A -30 )
GLU( 11 A -29 )
GLU( 11 A -28 )
ASN( 11 A -27 )
THR( 11 A -26 )
VAL( 11 A -25 )
VAL( 11 A -24 )
GLU( 11 A -23 )
LEU( 11 A -22 )
ASN( 11 A -21 )
GLU( 11 A -20 )
ASN( 11 A -19 )
ASN( 11 A -18 )
ASN( 11 A -17 )
VAL( 11 A -16 )
ALA( 11 A -15 )
THR( 11 A -14 )
PHE( 11 A -13 )
ASP( 11 A -12 )
VAL( 11 A -11 )
SER( 11 A -10 )
VAL( 11 A -9 )
VAL( 11 A -8 )
LEU( 11 A -7 )
GLU( 11 A -6 )
HIS( 11 A -5 )
HIS( 11 A -4 )
HIS( 11 A -3 )
HIS( 11 A -2 )
HIS( 11 A -1 )
HIS( 11 A 0 )
MET( 12 A-113 )
GLU( 12 A-112 )
PHE( 12 A-111 )
PRO( 12 A-110 )
ASP( 12 A-109 )
LEU( 12 A-108 )
THR( 12 A-107 )
VAL( 12 A-106 )
GLU( 12 A-105 )
ILE( 12 A-104 )
LYS( 12 A-103 )
GLY( 12 A-102 )
PRO( 12 A-101 )
ASP( 12 A-100 )
VAL( 12 A -99 )
VAL( 12 A -98 )
GLY( 12 A -97 )
VAL( 12 A -96 )
ASN( 12 A -95 )
LYS( 12 A -94 )
LEU( 12 A -93 )
ALA( 12 A -92 )
GLU( 12 A -91 )
TYR( 12 A -90 )
GLU( 12 A -89 )
VAL( 12 A -88 )
HIS( 12 A -87 )
VAL( 12 A -86 )
LYS( 12 A -85 )
ASN( 12 A -84 )
LEU( 12 A -83 )
GLY( 12 A -82 )
GLY( 12 A -81 )
ILE( 12 A -80 )
GLY( 12 A -79 )
VAL( 12 A -78 )
PRO( 12 A -77 )
SER( 12 A -76 )
THR( 12 A -75 )
LYS( 12 A -74 )
VAL( 12 A -73 )
ARG( 12 A -72 )
VAL( 12 A -71 )
TYR( 12 A -70 )
ILE( 12 A -69 )
ASN( 12 A -68 )
GLY( 12 A -67 )
THR( 12 A -66 )
LEU( 12 A -65 )
TYR( 12 A -64 )
LYS( 12 A -63 )
ASN( 12 A -62 )
TRP( 12 A -61 )
THR( 12 A -60 )
VAL( 12 A -59 )
SER( 12 A -58 )
LEU( 12 A -57 )
GLY( 12 A -56 )
PRO( 12 A -55 )
LYS( 12 A -54 )
GLU( 12 A -53 )
GLU( 12 A -52 )
LYS( 12 A -51 )
VAL( 12 A -50 )
LEU( 12 A -49 )
THR( 12 A -48 )
PHE( 12 A -47 )
SER( 12 A -46 )
TRP( 12 A -45 )
THR( 12 A -44 )
PRO( 12 A -43 )
THR( 12 A -42 )
GLN( 12 A -41 )
GLU( 12 A -40 )
GLY( 12 A -39 )
MET( 12 A -38 )
TYR( 12 A -37 )
ARG( 12 A -36 )
ILE( 12 A -35 )
ASN( 12 A -34 )
ALA( 12 A -33 )
THR( 12 A -32 )
VAL( 12 A -31 )
ASP( 12 A -30 )
GLU( 12 A -29 )
GLU( 12 A -28 )
ASN( 12 A -27 )
THR( 12 A -26 )
VAL( 12 A -25 )
VAL( 12 A -24 )
GLU( 12 A -23 )
LEU( 12 A -22 )
ASN( 12 A -21 )
GLU( 12 A -20 )
ASN( 12 A -19 )
ASN( 12 A -18 )
ASN( 12 A -17 )
VAL( 12 A -16 )
ALA( 12 A -15 )
THR( 12 A -14 )
PHE( 12 A -13 )
ASP( 12 A -12 )
VAL( 12 A -11 )
SER( 12 A -10 )
VAL( 12 A -9 )
VAL( 12 A -8 )
LEU( 12 A -7 )
GLU( 12 A -6 )
HIS( 12 A -5 )
HIS( 12 A -4 )
HIS( 12 A -3 )
HIS( 12 A -2 )
HIS( 12 A -1 )
HIS( 12 A 0 )
MET( 13 A-113 )
GLU( 13 A-112 )
PHE( 13 A-111 )
PRO( 13 A-110 )
ASP( 13 A-109 )
LEU( 13 A-108 )
THR( 13 A-107 )
VAL( 13 A-106 )
GLU( 13 A-105 )
ILE( 13 A-104 )
LYS( 13 A-103 )
GLY( 13 A-102 )
PRO( 13 A-101 )
ASP( 13 A-100 )
VAL( 13 A -99 )
VAL( 13 A -98 )
GLY( 13 A -97 )
VAL( 13 A -96 )
ASN( 13 A -95 )
LYS( 13 A -94 )
LEU( 13 A -93 )
ALA( 13 A -92 )
GLU( 13 A -91 )
TYR( 13 A -90 )
GLU( 13 A -89 )
VAL( 13 A -88 )
HIS( 13 A -87 )
VAL( 13 A -86 )
LYS( 13 A -85 )
ASN( 13 A -84 )
LEU( 13 A -83 )
GLY( 13 A -82 )
GLY( 13 A -81 )
ILE( 13 A -80 )
GLY( 13 A -79 )
VAL( 13 A -78 )
PRO( 13 A -77 )
SER( 13 A -76 )
THR( 13 A -75 )
LYS( 13 A -74 )
VAL( 13 A -73 )
ARG( 13 A -72 )
VAL( 13 A -71 )
TYR( 13 A -70 )
ILE( 13 A -69 )
ASN( 13 A -68 )
GLY( 13 A -67 )
THR( 13 A -66 )
LEU( 13 A -65 )
TYR( 13 A -64 )
LYS( 13 A -63 )
ASN( 13 A -62 )
TRP( 13 A -61 )
THR( 13 A -60 )
VAL( 13 A -59 )
SER( 13 A -58 )
LEU( 13 A -57 )
GLY( 13 A -56 )
PRO( 13 A -55 )
LYS( 13 A -54 )
GLU( 13 A -53 )
GLU( 13 A -52 )
LYS( 13 A -51 )
VAL( 13 A -50 )
LEU( 13 A -49 )
THR( 13 A -48 )
PHE( 13 A -47 )
SER( 13 A -46 )
TRP( 13 A -45 )
THR( 13 A -44 )
PRO( 13 A -43 )
THR( 13 A -42 )
GLN( 13 A -41 )
GLU( 13 A -40 )
GLY( 13 A -39 )
MET( 13 A -38 )
TYR( 13 A -37 )
ARG( 13 A -36 )
ILE( 13 A -35 )
ASN( 13 A -34 )
ALA( 13 A -33 )
THR( 13 A -32 )
VAL( 13 A -31 )
ASP( 13 A -30 )
GLU( 13 A -29 )
GLU( 13 A -28 )
ASN( 13 A -27 )
THR( 13 A -26 )
VAL( 13 A -25 )
VAL( 13 A -24 )
GLU( 13 A -23 )
LEU( 13 A -22 )
ASN( 13 A -21 )
GLU( 13 A -20 )
ASN( 13 A -19 )
ASN( 13 A -18 )
ASN( 13 A -17 )
VAL( 13 A -16 )
ALA( 13 A -15 )
THR( 13 A -14 )
PHE( 13 A -13 )
ASP( 13 A -12 )
VAL( 13 A -11 )
SER( 13 A -10 )
VAL( 13 A -9 )
VAL( 13 A -8 )
LEU( 13 A -7 )
GLU( 13 A -6 )
HIS( 13 A -5 )
HIS( 13 A -4 )
HIS( 13 A -3 )
HIS( 13 A -2 )
HIS( 13 A -1 )
HIS( 13 A 0 )
MET( 14 A-113 )
GLU( 14 A-112 )
PHE( 14 A-111 )
PRO( 14 A-110 )
ASP( 14 A-109 )
LEU( 14 A-108 )
THR( 14 A-107 )
VAL( 14 A-106 )
GLU( 14 A-105 )
ILE( 14 A-104 )
LYS( 14 A-103 )
GLY( 14 A-102 )
PRO( 14 A-101 )
ASP( 14 A-100 )
VAL( 14 A -99 )
VAL( 14 A -98 )
GLY( 14 A -97 )
VAL( 14 A -96 )
ASN( 14 A -95 )
LYS( 14 A -94 )
LEU( 14 A -93 )
ALA( 14 A -92 )
GLU( 14 A -91 )
TYR( 14 A -90 )
GLU( 14 A -89 )
VAL( 14 A -88 )
HIS( 14 A -87 )
VAL( 14 A -86 )
LYS( 14 A -85 )
ASN( 14 A -84 )
LEU( 14 A -83 )
GLY( 14 A -82 )
GLY( 14 A -81 )
ILE( 14 A -80 )
GLY( 14 A -79 )
VAL( 14 A -78 )
PRO( 14 A -77 )
SER( 14 A -76 )
THR( 14 A -75 )
LYS( 14 A -74 )
VAL( 14 A -73 )
ARG( 14 A -72 )
VAL( 14 A -71 )
TYR( 14 A -70 )
ILE( 14 A -69 )
ASN( 14 A -68 )
GLY( 14 A -67 )
THR( 14 A -66 )
LEU( 14 A -65 )
TYR( 14 A -64 )
LYS( 14 A -63 )
ASN( 14 A -62 )
TRP( 14 A -61 )
THR( 14 A -60 )
VAL( 14 A -59 )
SER( 14 A -58 )
LEU( 14 A -57 )
GLY( 14 A -56 )
PRO( 14 A -55 )
LYS( 14 A -54 )
GLU( 14 A -53 )
GLU( 14 A -52 )
LYS( 14 A -51 )
VAL( 14 A -50 )
LEU( 14 A -49 )
THR( 14 A -48 )
PHE( 14 A -47 )
SER( 14 A -46 )
TRP( 14 A -45 )
THR( 14 A -44 )
PRO( 14 A -43 )
THR( 14 A -42 )
GLN( 14 A -41 )
GLU( 14 A -40 )
GLY( 14 A -39 )
MET( 14 A -38 )
TYR( 14 A -37 )
ARG( 14 A -36 )
ILE( 14 A -35 )
ASN( 14 A -34 )
ALA( 14 A -33 )
THR( 14 A -32 )
VAL( 14 A -31 )
ASP( 14 A -30 )
GLU( 14 A -29 )
GLU( 14 A -28 )
ASN( 14 A -27 )
THR( 14 A -26 )
VAL( 14 A -25 )
VAL( 14 A -24 )
GLU( 14 A -23 )
LEU( 14 A -22 )
ASN( 14 A -21 )
GLU( 14 A -20 )
ASN( 14 A -19 )
ASN( 14 A -18 )
ASN( 14 A -17 )
VAL( 14 A -16 )
ALA( 14 A -15 )
THR( 14 A -14 )
PHE( 14 A -13 )
ASP( 14 A -12 )
VAL( 14 A -11 )
SER( 14 A -10 )
VAL( 14 A -9 )
VAL( 14 A -8 )
LEU( 14 A -7 )
GLU( 14 A -6 )
HIS( 14 A -5 )
HIS( 14 A -4 )
HIS( 14 A -3 )
HIS( 14 A -2 )
HIS( 14 A -1 )
HIS( 14 A 0 )
MET( 15 A-113 )
GLU( 15 A-112 )
PHE( 15 A-111 )
PRO( 15 A-110 )
ASP( 15 A-109 )
LEU( 15 A-108 )
THR( 15 A-107 )
VAL( 15 A-106 )
GLU( 15 A-105 )
ILE( 15 A-104 )
LYS( 15 A-103 )
GLY( 15 A-102 )
PRO( 15 A-101 )
ASP( 15 A-100 )
VAL( 15 A -99 )
VAL( 15 A -98 )
GLY( 15 A -97 )
VAL( 15 A -96 )
ASN( 15 A -95 )
LYS( 15 A -94 )
LEU( 15 A -93 )
ALA( 15 A -92 )
GLU( 15 A -91 )
TYR( 15 A -90 )
GLU( 15 A -89 )
VAL( 15 A -88 )
HIS( 15 A -87 )
VAL( 15 A -86 )
LYS( 15 A -85 )
ASN( 15 A -84 )
LEU( 15 A -83 )
GLY( 15 A -82 )
GLY( 15 A -81 )
ILE( 15 A -80 )
GLY( 15 A -79 )
VAL( 15 A -78 )
PRO( 15 A -77 )
SER( 15 A -76 )
THR( 15 A -75 )
LYS( 15 A -74 )
VAL( 15 A -73 )
ARG( 15 A -72 )
VAL( 15 A -71 )
TYR( 15 A -70 )
ILE( 15 A -69 )
ASN( 15 A -68 )
GLY( 15 A -67 )
THR( 15 A -66 )
LEU( 15 A -65 )
TYR( 15 A -64 )
LYS( 15 A -63 )
ASN( 15 A -62 )
TRP( 15 A -61 )
THR( 15 A -60 )
VAL( 15 A -59 )
SER( 15 A -58 )
LEU( 15 A -57 )
GLY( 15 A -56 )
PRO( 15 A -55 )
LYS( 15 A -54 )
GLU( 15 A -53 )
GLU( 15 A -52 )
LYS( 15 A -51 )
VAL( 15 A -50 )
LEU( 15 A -49 )
THR( 15 A -48 )
PHE( 15 A -47 )
SER( 15 A -46 )
TRP( 15 A -45 )
THR( 15 A -44 )
PRO( 15 A -43 )
THR( 15 A -42 )
GLN( 15 A -41 )
GLU( 15 A -40 )
GLY( 15 A -39 )
MET( 15 A -38 )
TYR( 15 A -37 )
ARG( 15 A -36 )
ILE( 15 A -35 )
ASN( 15 A -34 )
ALA( 15 A -33 )
THR( 15 A -32 )
VAL( 15 A -31 )
ASP( 15 A -30 )
GLU( 15 A -29 )
GLU( 15 A -28 )
ASN( 15 A -27 )
THR( 15 A -26 )
VAL( 15 A -25 )
VAL( 15 A -24 )
GLU( 15 A -23 )
LEU( 15 A -22 )
ASN( 15 A -21 )
GLU( 15 A -20 )
ASN( 15 A -19 )
ASN( 15 A -18 )
ASN( 15 A -17 )
VAL( 15 A -16 )
ALA( 15 A -15 )
THR( 15 A -14 )
PHE( 15 A -13 )
ASP( 15 A -12 )
VAL( 15 A -11 )
SER( 15 A -10 )
VAL( 15 A -9 )
VAL( 15 A -8 )
LEU( 15 A -7 )
GLU( 15 A -6 )
HIS( 15 A -5 )
HIS( 15 A -4 )
HIS( 15 A -3 )
HIS( 15 A -2 )
HIS( 15 A -1 )
HIS( 15 A 0 )
MET( 16 A-113 )
GLU( 16 A-112 )
PHE( 16 A-111 )
PRO( 16 A-110 )
ASP( 16 A-109 )
LEU( 16 A-108 )
THR( 16 A-107 )
VAL( 16 A-106 )
GLU( 16 A-105 )
ILE( 16 A-104 )
LYS( 16 A-103 )
GLY( 16 A-102 )
PRO( 16 A-101 )
ASP( 16 A-100 )
VAL( 16 A -99 )
VAL( 16 A -98 )
GLY( 16 A -97 )
VAL( 16 A -96 )
ASN( 16 A -95 )
LYS( 16 A -94 )
LEU( 16 A -93 )
ALA( 16 A -92 )
GLU( 16 A -91 )
TYR( 16 A -90 )
GLU( 16 A -89 )
VAL( 16 A -88 )
HIS( 16 A -87 )
VAL( 16 A -86 )
LYS( 16 A -85 )
ASN( 16 A -84 )
LEU( 16 A -83 )
GLY( 16 A -82 )
GLY( 16 A -81 )
ILE( 16 A -80 )
GLY( 16 A -79 )
VAL( 16 A -78 )
PRO( 16 A -77 )
SER( 16 A -76 )
THR( 16 A -75 )
LYS( 16 A -74 )
VAL( 16 A -73 )
ARG( 16 A -72 )
VAL( 16 A -71 )
TYR( 16 A -70 )
ILE( 16 A -69 )
ASN( 16 A -68 )
GLY( 16 A -67 )
THR( 16 A -66 )
LEU( 16 A -65 )
TYR( 16 A -64 )
LYS( 16 A -63 )
ASN( 16 A -62 )
TRP( 16 A -61 )
THR( 16 A -60 )
VAL( 16 A -59 )
SER( 16 A -58 )
LEU( 16 A -57 )
GLY( 16 A -56 )
PRO( 16 A -55 )
LYS( 16 A -54 )
GLU( 16 A -53 )
GLU( 16 A -52 )
LYS( 16 A -51 )
VAL( 16 A -50 )
LEU( 16 A -49 )
THR( 16 A -48 )
PHE( 16 A -47 )
SER( 16 A -46 )
TRP( 16 A -45 )
THR( 16 A -44 )
PRO( 16 A -43 )
THR( 16 A -42 )
GLN( 16 A -41 )
GLU( 16 A -40 )
GLY( 16 A -39 )
MET( 16 A -38 )
TYR( 16 A -37 )
ARG( 16 A -36 )
ILE( 16 A -35 )
ASN( 16 A -34 )
ALA( 16 A -33 )
THR( 16 A -32 )
VAL( 16 A -31 )
ASP( 16 A -30 )
GLU( 16 A -29 )
GLU( 16 A -28 )
ASN( 16 A -27 )
THR( 16 A -26 )
VAL( 16 A -25 )
VAL( 16 A -24 )
GLU( 16 A -23 )
LEU( 16 A -22 )
ASN( 16 A -21 )
GLU( 16 A -20 )
ASN( 16 A -19 )
ASN( 16 A -18 )
ASN( 16 A -17 )
VAL( 16 A -16 )
ALA( 16 A -15 )
THR( 16 A -14 )
PHE( 16 A -13 )
ASP( 16 A -12 )
VAL( 16 A -11 )
SER( 16 A -10 )
VAL( 16 A -9 )
VAL( 16 A -8 )
LEU( 16 A -7 )
GLU( 16 A -6 )
HIS( 16 A -5 )
HIS( 16 A -4 )
HIS( 16 A -3 )
HIS( 16 A -2 )
HIS( 16 A -1 )
HIS( 16 A 0 )
MET( 17 A-113 )
GLU( 17 A-112 )
PHE( 17 A-111 )
PRO( 17 A-110 )
ASP( 17 A-109 )
LEU( 17 A-108 )
THR( 17 A-107 )
VAL( 17 A-106 )
GLU( 17 A-105 )
ILE( 17 A-104 )
LYS( 17 A-103 )
GLY( 17 A-102 )
PRO( 17 A-101 )
ASP( 17 A-100 )
VAL( 17 A -99 )
VAL( 17 A -98 )
GLY( 17 A -97 )
VAL( 17 A -96 )
ASN( 17 A -95 )
LYS( 17 A -94 )
LEU( 17 A -93 )
ALA( 17 A -92 )
GLU( 17 A -91 )
TYR( 17 A -90 )
GLU( 17 A -89 )
VAL( 17 A -88 )
HIS( 17 A -87 )
VAL( 17 A -86 )
LYS( 17 A -85 )
ASN( 17 A -84 )
LEU( 17 A -83 )
GLY( 17 A -82 )
GLY( 17 A -81 )
ILE( 17 A -80 )
GLY( 17 A -79 )
VAL( 17 A -78 )
PRO( 17 A -77 )
SER( 17 A -76 )
THR( 17 A -75 )
LYS( 17 A -74 )
VAL( 17 A -73 )
ARG( 17 A -72 )
VAL( 17 A -71 )
TYR( 17 A -70 )
ILE( 17 A -69 )
ASN( 17 A -68 )
GLY( 17 A -67 )
THR( 17 A -66 )
LEU( 17 A -65 )
TYR( 17 A -64 )
LYS( 17 A -63 )
ASN( 17 A -62 )
TRP( 17 A -61 )
THR( 17 A -60 )
VAL( 17 A -59 )
SER( 17 A -58 )
LEU( 17 A -57 )
GLY( 17 A -56 )
PRO( 17 A -55 )
LYS( 17 A -54 )
GLU( 17 A -53 )
GLU( 17 A -52 )
LYS( 17 A -51 )
VAL( 17 A -50 )
LEU( 17 A -49 )
THR( 17 A -48 )
PHE( 17 A -47 )
SER( 17 A -46 )
TRP( 17 A -45 )
THR( 17 A -44 )
PRO( 17 A -43 )
THR( 17 A -42 )
GLN( 17 A -41 )
GLU( 17 A -40 )
GLY( 17 A -39 )
MET( 17 A -38 )
TYR( 17 A -37 )
ARG( 17 A -36 )
ILE( 17 A -35 )
ASN( 17 A -34 )
ALA( 17 A -33 )
THR( 17 A -32 )
VAL( 17 A -31 )
ASP( 17 A -30 )
GLU( 17 A -29 )
GLU( 17 A -28 )
ASN( 17 A -27 )
THR( 17 A -26 )
VAL( 17 A -25 )
VAL( 17 A -24 )
GLU( 17 A -23 )
LEU( 17 A -22 )
ASN( 17 A -21 )
GLU( 17 A -20 )
ASN( 17 A -19 )
ASN( 17 A -18 )
ASN( 17 A -17 )
VAL( 17 A -16 )
ALA( 17 A -15 )
THR( 17 A -14 )
PHE( 17 A -13 )
ASP( 17 A -12 )
VAL( 17 A -11 )
SER( 17 A -10 )
VAL( 17 A -9 )
VAL( 17 A -8 )
LEU( 17 A -7 )
GLU( 17 A -6 )
HIS( 17 A -5 )
HIS( 17 A -4 )
HIS( 17 A -3 )
HIS( 17 A -2 )
HIS( 17 A -1 )
HIS( 17 A 0 )
MET( 18 A-113 )
GLU( 18 A-112 )
PHE( 18 A-111 )
PRO( 18 A-110 )
ASP( 18 A-109 )
LEU( 18 A-108 )
THR( 18 A-107 )
VAL( 18 A-106 )
GLU( 18 A-105 )
ILE( 18 A-104 )
LYS( 18 A-103 )
GLY( 18 A-102 )
PRO( 18 A-101 )
ASP( 18 A-100 )
VAL( 18 A -99 )
VAL( 18 A -98 )
GLY( 18 A -97 )
VAL( 18 A -96 )
ASN( 18 A -95 )
LYS( 18 A -94 )
LEU( 18 A -93 )
ALA( 18 A -92 )
GLU( 18 A -91 )
TYR( 18 A -90 )
GLU( 18 A -89 )
VAL( 18 A -88 )
HIS( 18 A -87 )
VAL( 18 A -86 )
LYS( 18 A -85 )
ASN( 18 A -84 )
LEU( 18 A -83 )
GLY( 18 A -82 )
GLY( 18 A -81 )
ILE( 18 A -80 )
GLY( 18 A -79 )
VAL( 18 A -78 )
PRO( 18 A -77 )
SER( 18 A -76 )
THR( 18 A -75 )
LYS( 18 A -74 )
VAL( 18 A -73 )
ARG( 18 A -72 )
VAL( 18 A -71 )
TYR( 18 A -70 )
ILE( 18 A -69 )
ASN( 18 A -68 )
GLY( 18 A -67 )
THR( 18 A -66 )
LEU( 18 A -65 )
TYR( 18 A -64 )
LYS( 18 A -63 )
ASN( 18 A -62 )
TRP( 18 A -61 )
THR( 18 A -60 )
VAL( 18 A -59 )
SER( 18 A -58 )
LEU( 18 A -57 )
GLY( 18 A -56 )
PRO( 18 A -55 )
LYS( 18 A -54 )
GLU( 18 A -53 )
GLU( 18 A -52 )
LYS( 18 A -51 )
VAL( 18 A -50 )
LEU( 18 A -49 )
THR( 18 A -48 )
PHE( 18 A -47 )
SER( 18 A -46 )
TRP( 18 A -45 )
THR( 18 A -44 )
PRO( 18 A -43 )
THR( 18 A -42 )
GLN( 18 A -41 )
GLU( 18 A -40 )
GLY( 18 A -39 )
MET( 18 A -38 )
TYR( 18 A -37 )
ARG( 18 A -36 )
ILE( 18 A -35 )
ASN( 18 A -34 )
ALA( 18 A -33 )
THR( 18 A -32 )
VAL( 18 A -31 )
ASP( 18 A -30 )
GLU( 18 A -29 )
GLU( 18 A -28 )
ASN( 18 A -27 )
THR( 18 A -26 )
VAL( 18 A -25 )
VAL( 18 A -24 )
GLU( 18 A -23 )
LEU( 18 A -22 )
ASN( 18 A -21 )
GLU( 18 A -20 )
ASN( 18 A -19 )
ASN( 18 A -18 )
ASN( 18 A -17 )
VAL( 18 A -16 )
ALA( 18 A -15 )
THR( 18 A -14 )
PHE( 18 A -13 )
ASP( 18 A -12 )
VAL( 18 A -11 )
SER( 18 A -10 )
VAL( 18 A -9 )
VAL( 18 A -8 )
LEU( 18 A -7 )
GLU( 18 A -6 )
HIS( 18 A -5 )
HIS( 18 A -4 )
HIS( 18 A -3 )
HIS( 18 A -2 )
HIS( 18 A -1 )
HIS( 18 A 0 )
MET( 19 A-113 )
GLU( 19 A-112 )
PHE( 19 A-111 )
PRO( 19 A-110 )
ASP( 19 A-109 )
LEU( 19 A-108 )
THR( 19 A-107 )
VAL( 19 A-106 )
GLU( 19 A-105 )
ILE( 19 A-104 )
LYS( 19 A-103 )
GLY( 19 A-102 )
PRO( 19 A-101 )
ASP( 19 A-100 )
VAL( 19 A -99 )
VAL( 19 A -98 )
GLY( 19 A -97 )
VAL( 19 A -96 )
ASN( 19 A -95 )
LYS( 19 A -94 )
LEU( 19 A -93 )
ALA( 19 A -92 )
GLU( 19 A -91 )
TYR( 19 A -90 )
GLU( 19 A -89 )
VAL( 19 A -88 )
HIS( 19 A -87 )
VAL( 19 A -86 )
LYS( 19 A -85 )
ASN( 19 A -84 )
LEU( 19 A -83 )
GLY( 19 A -82 )
GLY( 19 A -81 )
ILE( 19 A -80 )
GLY( 19 A -79 )
VAL( 19 A -78 )
PRO( 19 A -77 )
SER( 19 A -76 )
THR( 19 A -75 )
LYS( 19 A -74 )
VAL( 19 A -73 )
ARG( 19 A -72 )
VAL( 19 A -71 )
TYR( 19 A -70 )
ILE( 19 A -69 )
ASN( 19 A -68 )
GLY( 19 A -67 )
THR( 19 A -66 )
LEU( 19 A -65 )
TYR( 19 A -64 )
LYS( 19 A -63 )
ASN( 19 A -62 )
TRP( 19 A -61 )
THR( 19 A -60 )
VAL( 19 A -59 )
SER( 19 A -58 )
LEU( 19 A -57 )
GLY( 19 A -56 )
PRO( 19 A -55 )
LYS( 19 A -54 )
GLU( 19 A -53 )
GLU( 19 A -52 )
LYS( 19 A -51 )
VAL( 19 A -50 )
LEU( 19 A -49 )
THR( 19 A -48 )
PHE( 19 A -47 )
SER( 19 A -46 )
TRP( 19 A -45 )
THR( 19 A -44 )
PRO( 19 A -43 )
THR( 19 A -42 )
GLN( 19 A -41 )
GLU( 19 A -40 )
GLY( 19 A -39 )
MET( 19 A -38 )
TYR( 19 A -37 )
ARG( 19 A -36 )
ILE( 19 A -35 )
ASN( 19 A -34 )
ALA( 19 A -33 )
THR( 19 A -32 )
VAL( 19 A -31 )
ASP( 19 A -30 )
GLU( 19 A -29 )
GLU( 19 A -28 )
ASN( 19 A -27 )
THR( 19 A -26 )
VAL( 19 A -25 )
VAL( 19 A -24 )
GLU( 19 A -23 )
LEU( 19 A -22 )
ASN( 19 A -21 )
GLU( 19 A -20 )
ASN( 19 A -19 )
ASN( 19 A -18 )
ASN( 19 A -17 )
VAL( 19 A -16 )
ALA( 19 A -15 )
THR( 19 A -14 )
PHE( 19 A -13 )
ASP( 19 A -12 )
VAL( 19 A -11 )
SER( 19 A -10 )
VAL( 19 A -9 )
VAL( 19 A -8 )
LEU( 19 A -7 )
GLU( 19 A -6 )
HIS( 19 A -5 )
HIS( 19 A -4 )
HIS( 19 A -3 )
HIS( 19 A -2 )
HIS( 19 A -1 )
HIS( 19 A 0 )
MET( 20 A-113 )
GLU( 20 A-112 )
PHE( 20 A-111 )
PRO( 20 A-110 )
ASP( 20 A-109 )
LEU( 20 A-108 )
THR( 20 A-107 )
VAL( 20 A-106 )
GLU( 20 A-105 )
ILE( 20 A-104 )
LYS( 20 A-103 )
GLY( 20 A-102 )
PRO( 20 A-101 )
ASP( 20 A-100 )
VAL( 20 A -99 )
VAL( 20 A -98 )
GLY( 20 A -97 )
VAL( 20 A -96 )
ASN( 20 A -95 )
LYS( 20 A -94 )
LEU( 20 A -93 )
ALA( 20 A -92 )
GLU( 20 A -91 )
TYR( 20 A -90 )
GLU( 20 A -89 )
VAL( 20 A -88 )
HIS( 20 A -87 )
VAL( 20 A -86 )
LYS( 20 A -85 )
ASN( 20 A -84 )
LEU( 20 A -83 )
GLY( 20 A -82 )
GLY( 20 A -81 )
ILE( 20 A -80 )
GLY( 20 A -79 )
VAL( 20 A -78 )
PRO( 20 A -77 )
SER( 20 A -76 )
THR( 20 A -75 )
LYS( 20 A -74 )
VAL( 20 A -73 )
ARG( 20 A -72 )
VAL( 20 A -71 )
TYR( 20 A -70 )
ILE( 20 A -69 )
ASN( 20 A -68 )
GLY( 20 A -67 )
THR( 20 A -66 )
LEU( 20 A -65 )
TYR( 20 A -64 )
LYS( 20 A -63 )
ASN( 20 A -62 )
TRP( 20 A -61 )
THR( 20 A -60 )
VAL( 20 A -59 )
SER( 20 A -58 )
LEU( 20 A -57 )
GLY( 20 A -56 )
PRO( 20 A -55 )
LYS( 20 A -54 )
GLU( 20 A -53 )
GLU( 20 A -52 )
LYS( 20 A -51 )
VAL( 20 A -50 )
LEU( 20 A -49 )
THR( 20 A -48 )
PHE( 20 A -47 )
SER( 20 A -46 )
TRP( 20 A -45 )
THR( 20 A -44 )
PRO( 20 A -43 )
THR( 20 A -42 )
GLN( 20 A -41 )
GLU( 20 A -40 )
GLY( 20 A -39 )
MET( 20 A -38 )
TYR( 20 A -37 )
ARG( 20 A -36 )
ILE( 20 A -35 )
ASN( 20 A -34 )
ALA( 20 A -33 )
THR( 20 A -32 )
VAL( 20 A -31 )
ASP( 20 A -30 )
GLU( 20 A -29 )
GLU( 20 A -28 )
ASN( 20 A -27 )
THR( 20 A -26 )
VAL( 20 A -25 )
VAL( 20 A -24 )
GLU( 20 A -23 )
LEU( 20 A -22 )
ASN( 20 A -21 )
GLU( 20 A -20 )
ASN( 20 A -19 )
ASN( 20 A -18 )
ASN( 20 A -17 )
VAL( 20 A -16 )
ALA( 20 A -15 )
THR( 20 A -14 )
PHE( 20 A -13 )
ASP( 20 A -12 )
VAL( 20 A -11 )
SER( 20 A -10 )
VAL( 20 A -9 )
VAL( 20 A -8 )
LEU( 20 A -7 )
GLU( 20 A -6 )
HIS( 20 A -5 )
HIS( 20 A -4 )
HIS( 20 A -3 )
HIS( 20 A -2 )
HIS( 20 A -1 )
HIS( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET GLU PHE PRO ASP LEU THR VAL GLU ILE LYS GLY PRO ASP VAL
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: VAL GLY VAL ASN LYS LEU ALA GLU TYR GLU VAL HIS VAL LYS ASN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: LEU GLY GLY ILE GLY VAL PRO SER THR LYS VAL ARG VAL TYR ILE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: ASN GLY THR LEU TYR LYS ASN TRP THR VAL SER LEU GLY PRO LYS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: GLU GLU LYS VAL LEU THR PHE SER TRP THR PRO THR GLN GLU GLY
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: MET TYR ARG ILE ASN ALA THR VAL ASP GLU GLU ASN THR VAL VAL
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: GLU LEU ASN GLU ASN ASN ASN VAL ALA THR PHE ASP VAL SER VAL
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
106 120
SEQRES: VAL LEU GLU HIS HIS HIS HIS HIS HIS MET GLU PHE PRO ASP LEU
COORDS: ... ... ... ... ... ... ... ... ... MET GLU PHE PRO ASP LEU
1 6
121 135
SEQRES: THR VAL GLU ILE LYS GLY PRO ASP VAL VAL GLY VAL ASN LYS LEU
COORDS: THR VAL GLU ILE LYS GLY PRO ASP VAL VAL GLY VAL ASN LYS LEU
7 21
136 150
SEQRES: ALA GLU TYR GLU VAL HIS VAL LYS ASN LEU GLY GLY ILE GLY VAL
COORDS: ALA GLU TYR GLU VAL HIS VAL LYS ASN LEU GLY GLY ILE GLY VAL
22 36
151 165
SEQRES: PRO SER THR LYS VAL ARG VAL TYR ILE ASN GLY THR LEU TYR LYS
COORDS: PRO SER THR LYS VAL ARG VAL TYR ILE ASN GLY THR LEU TYR LYS
37 51
166 180
SEQRES: ASN TRP THR VAL SER LEU GLY PRO LYS GLU GLU LYS VAL LEU THR
COORDS: ASN TRP THR VAL SER LEU GLY PRO LYS GLU GLU LYS VAL LEU THR
52 66
181 195
SEQRES: PHE SER TRP THR PRO THR GLN GLU GLY MET TYR ARG ILE ASN ALA
COORDS: PHE SER TRP THR PRO THR GLN GLU GLY MET TYR ARG ILE ASN ALA
67 81
196 210
SEQRES: THR VAL ASP GLU GLU ASN THR VAL VAL GLU LEU ASN GLU ASN ASN
COORDS: THR VAL ASP GLU GLU ASN THR VAL VAL GLU LEU ASN GLU ASN ASN
82 96
211 222
SEQRES: ASN VAL ALA THR PHE ASP VAL SER VAL VAL LEU GLU
COORDS: ASN VAL ALA THR PHE ASP VAL SER VAL VAL LEU GLU
97 108
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 2) HE2
ASP( 1 A 5) HD2
GLU( 1 A 9) HE2
ASP( 1 A 14) HD2
GLU( 1 A 23) HE2
GLU( 1 A 25) HE2
GLU( 1 A 61) HE2
GLU( 1 A 62) HE2
GLU( 1 A 74) HE2
ASP( 1 A 84) HD2
GLU( 1 A 85) HE2
GLU( 1 A 86) HE2
GLU( 1 A 91) HE2
GLU( 1 A 94) HE2
ASP( 1 A 102) HD2
GLU( 1 A 108) HE2
GLU( 2 A 2) HE2
ASP( 2 A 5) HD2
GLU( 2 A 9) HE2
ASP( 2 A 14) HD2
GLU( 2 A 23) HE2
GLU( 2 A 25) HE2
GLU( 2 A 61) HE2
GLU( 2 A 62) HE2
GLU( 2 A 74) HE2
ASP( 2 A 84) HD2
GLU( 2 A 85) HE2
GLU( 2 A 86) HE2
GLU( 2 A 91) HE2
GLU( 2 A 94) HE2
ASP( 2 A 102) HD2
GLU( 2 A 108) HE2
GLU( 3 A 2) HE2
ASP( 3 A 5) HD2
GLU( 3 A 9) HE2
ASP( 3 A 14) HD2
GLU( 3 A 23) HE2
GLU( 3 A 25) HE2
GLU( 3 A 61) HE2
GLU( 3 A 62) HE2
GLU( 3 A 74) HE2
ASP( 3 A 84) HD2
GLU( 3 A 85) HE2
GLU( 3 A 86) HE2
GLU( 3 A 91) HE2
GLU( 3 A 94) HE2
ASP( 3 A 102) HD2
GLU( 3 A 108) HE2
GLU( 4 A 2) HE2
ASP( 4 A 5) HD2
GLU( 4 A 9) HE2
ASP( 4 A 14) HD2
GLU( 4 A 23) HE2
GLU( 4 A 25) HE2
GLU( 4 A 61) HE2
GLU( 4 A 62) HE2
GLU( 4 A 74) HE2
ASP( 4 A 84) HD2
GLU( 4 A 85) HE2
GLU( 4 A 86) HE2
GLU( 4 A 91) HE2
GLU( 4 A 94) HE2
ASP( 4 A 102) HD2
GLU( 4 A 108) HE2
GLU( 5 A 2) HE2
ASP( 5 A 5) HD2
GLU( 5 A 9) HE2
ASP( 5 A 14) HD2
GLU( 5 A 23) HE2
GLU( 5 A 25) HE2
GLU( 5 A 61) HE2
GLU( 5 A 62) HE2
GLU( 5 A 74) HE2
ASP( 5 A 84) HD2
GLU( 5 A 85) HE2
GLU( 5 A 86) HE2
GLU( 5 A 91) HE2
GLU( 5 A 94) HE2
ASP( 5 A 102) HD2
GLU( 5 A 108) HE2
GLU( 6 A 2) HE2
ASP( 6 A 5) HD2
GLU( 6 A 9) HE2
ASP( 6 A 14) HD2
GLU( 6 A 23) HE2
GLU( 6 A 25) HE2
GLU( 6 A 61) HE2
GLU( 6 A 62) HE2
GLU( 6 A 74) HE2
ASP( 6 A 84) HD2
GLU( 6 A 85) HE2
GLU( 6 A 86) HE2
GLU( 6 A 91) HE2
GLU( 6 A 94) HE2
ASP( 6 A 102) HD2
GLU( 6 A 108) HE2
GLU( 7 A 2) HE2
ASP( 7 A 5) HD2
GLU( 7 A 9) HE2
ASP( 7 A 14) HD2
GLU( 7 A 23) HE2
GLU( 7 A 25) HE2
GLU( 7 A 61) HE2
GLU( 7 A 62) HE2
GLU( 7 A 74) HE2
ASP( 7 A 84) HD2
GLU( 7 A 85) HE2
GLU( 7 A 86) HE2
GLU( 7 A 91) HE2
GLU( 7 A 94) HE2
ASP( 7 A 102) HD2
GLU( 7 A 108) HE2
GLU( 8 A 2) HE2
ASP( 8 A 5) HD2
GLU( 8 A 9) HE2
ASP( 8 A 14) HD2
GLU( 8 A 23) HE2
GLU( 8 A 25) HE2
GLU( 8 A 61) HE2
GLU( 8 A 62) HE2
GLU( 8 A 74) HE2
ASP( 8 A 84) HD2
GLU( 8 A 85) HE2
GLU( 8 A 86) HE2
GLU( 8 A 91) HE2
GLU( 8 A 94) HE2
ASP( 8 A 102) HD2
GLU( 8 A 108) HE2
GLU( 9 A 2) HE2
ASP( 9 A 5) HD2
GLU( 9 A 9) HE2
ASP( 9 A 14) HD2
GLU( 9 A 23) HE2
GLU( 9 A 25) HE2
GLU( 9 A 61) HE2
GLU( 9 A 62) HE2
GLU( 9 A 74) HE2
ASP( 9 A 84) HD2
GLU( 9 A 85) HE2
GLU( 9 A 86) HE2
GLU( 9 A 91) HE2
GLU( 9 A 94) HE2
ASP( 9 A 102) HD2
GLU( 9 A 108) HE2
GLU( 10 A 2) HE2
ASP( 10 A 5) HD2
GLU( 10 A 9) HE2
ASP( 10 A 14) HD2
GLU( 10 A 23) HE2
GLU( 10 A 25) HE2
GLU( 10 A 61) HE2
GLU( 10 A 62) HE2
GLU( 10 A 74) HE2
ASP( 10 A 84) HD2
GLU( 10 A 85) HE2
GLU( 10 A 86) HE2
GLU( 10 A 91) HE2
GLU( 10 A 94) HE2
ASP( 10 A 102) HD2
GLU( 10 A 108) HE2
GLU( 11 A 2) HE2
ASP( 11 A 5) HD2
GLU( 11 A 9) HE2
ASP( 11 A 14) HD2
GLU( 11 A 23) HE2
GLU( 11 A 25) HE2
GLU( 11 A 61) HE2
GLU( 11 A 62) HE2
GLU( 11 A 74) HE2
ASP( 11 A 84) HD2
GLU( 11 A 85) HE2
GLU( 11 A 86) HE2
GLU( 11 A 91) HE2
GLU( 11 A 94) HE2
ASP( 11 A 102) HD2
GLU( 11 A 108) HE2
GLU( 12 A 2) HE2
ASP( 12 A 5) HD2
GLU( 12 A 9) HE2
ASP( 12 A 14) HD2
GLU( 12 A 23) HE2
GLU( 12 A 25) HE2
GLU( 12 A 61) HE2
GLU( 12 A 62) HE2
GLU( 12 A 74) HE2
ASP( 12 A 84) HD2
GLU( 12 A 85) HE2
GLU( 12 A 86) HE2
GLU( 12 A 91) HE2
GLU( 12 A 94) HE2
ASP( 12 A 102) HD2
GLU( 12 A 108) HE2
GLU( 13 A 2) HE2
ASP( 13 A 5) HD2
GLU( 13 A 9) HE2
ASP( 13 A 14) HD2
GLU( 13 A 23) HE2
GLU( 13 A 25) HE2
GLU( 13 A 61) HE2
GLU( 13 A 62) HE2
GLU( 13 A 74) HE2
ASP( 13 A 84) HD2
GLU( 13 A 85) HE2
GLU( 13 A 86) HE2
GLU( 13 A 91) HE2
GLU( 13 A 94) HE2
ASP( 13 A 102) HD2
GLU( 13 A 108) HE2
GLU( 14 A 2) HE2
ASP( 14 A 5) HD2
GLU( 14 A 9) HE2
ASP( 14 A 14) HD2
GLU( 14 A 23) HE2
GLU( 14 A 25) HE2
GLU( 14 A 61) HE2
GLU( 14 A 62) HE2
GLU( 14 A 74) HE2
ASP( 14 A 84) HD2
GLU( 14 A 85) HE2
GLU( 14 A 86) HE2
GLU( 14 A 91) HE2
GLU( 14 A 94) HE2
ASP( 14 A 102) HD2
GLU( 14 A 108) HE2
GLU( 15 A 2) HE2
ASP( 15 A 5) HD2
GLU( 15 A 9) HE2
ASP( 15 A 14) HD2
GLU( 15 A 23) HE2
GLU( 15 A 25) HE2
GLU( 15 A 61) HE2
GLU( 15 A 62) HE2
GLU( 15 A 74) HE2
ASP( 15 A 84) HD2
GLU( 15 A 85) HE2
GLU( 15 A 86) HE2
GLU( 15 A 91) HE2
GLU( 15 A 94) HE2
ASP( 15 A 102) HD2
GLU( 15 A 108) HE2
GLU( 16 A 2) HE2
ASP( 16 A 5) HD2
GLU( 16 A 9) HE2
ASP( 16 A 14) HD2
GLU( 16 A 23) HE2
GLU( 16 A 25) HE2
GLU( 16 A 61) HE2
GLU( 16 A 62) HE2
GLU( 16 A 74) HE2
ASP( 16 A 84) HD2
GLU( 16 A 85) HE2
GLU( 16 A 86) HE2
GLU( 16 A 91) HE2
GLU( 16 A 94) HE2
ASP( 16 A 102) HD2
GLU( 16 A 108) HE2
GLU( 17 A 2) HE2
ASP( 17 A 5) HD2
GLU( 17 A 9) HE2
ASP( 17 A 14) HD2
GLU( 17 A 23) HE2
GLU( 17 A 25) HE2
GLU( 17 A 61) HE2
GLU( 17 A 62) HE2
GLU( 17 A 74) HE2
ASP( 17 A 84) HD2
GLU( 17 A 85) HE2
GLU( 17 A 86) HE2
GLU( 17 A 91) HE2
GLU( 17 A 94) HE2
ASP( 17 A 102) HD2
GLU( 17 A 108) HE2
GLU( 18 A 2) HE2
ASP( 18 A 5) HD2
GLU( 18 A 9) HE2
ASP( 18 A 14) HD2
GLU( 18 A 23) HE2
GLU( 18 A 25) HE2
GLU( 18 A 61) HE2
GLU( 18 A 62) HE2
GLU( 18 A 74) HE2
ASP( 18 A 84) HD2
GLU( 18 A 85) HE2
GLU( 18 A 86) HE2
GLU( 18 A 91) HE2
GLU( 18 A 94) HE2
ASP( 18 A 102) HD2
GLU( 18 A 108) HE2
GLU( 19 A 2) HE2
ASP( 19 A 5) HD2
GLU( 19 A 9) HE2
ASP( 19 A 14) HD2
GLU( 19 A 23) HE2
GLU( 19 A 25) HE2
GLU( 19 A 61) HE2
GLU( 19 A 62) HE2
GLU( 19 A 74) HE2
ASP( 19 A 84) HD2
GLU( 19 A 85) HE2
GLU( 19 A 86) HE2
GLU( 19 A 91) HE2
GLU( 19 A 94) HE2
ASP( 19 A 102) HD2
GLU( 19 A 108) HE2
GLU( 20 A 2) HE2
ASP( 20 A 5) HD2
GLU( 20 A 9) HE2
ASP( 20 A 14) HD2
GLU( 20 A 23) HE2
GLU( 20 A 25) HE2
GLU( 20 A 61) HE2
GLU( 20 A 62) HE2
GLU( 20 A 74) HE2
ASP( 20 A 84) HD2
GLU( 20 A 85) HE2
GLU( 20 A 86) HE2
GLU( 20 A 91) HE2
GLU( 20 A 94) HE2
ASP( 20 A 102) HD2
GLU( 20 A 108) HE2
CHECK TERMINAL ATOMS
--------------------
Terminal atom(s) showed in middle of sequence will be deleted:
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: LEU CHNID: A SSEQ: 440) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: LYS CHNID: A SSEQ: 445) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: ALA CHNID: A SSEQ: 456) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: ASN CHNID: A SSEQ: 464) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: GLU CHNID: A SSEQ: 459) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: LYS CHNID: A SSEQ: 445) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: GLU CHNID: A SSEQ: 496) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: TRP CHNID: A SSEQ: 503) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: LEU CHNID: A SSEQ: 499) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: VAL CHNID: A SSEQ: 460) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: VAL CHNID: A SSEQ: 449) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: GLY CHNID: A SSEQ: 451) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: VAL CHNID: A SSEQ: 532) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: VAL CHNID: A SSEQ: 540) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: SER CHNID: A SSEQ: 538) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: VAL CHNID: A SSEQ: 450) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: GLY CHNID: A SSEQ: 509) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: VAL CHNID: A SSEQ: 517) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: ILE CHNID: A SSEQ: 513) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: PHE CHNID: A SSEQ: 535) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: VAL CHNID: A SSEQ: 470) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: ILE CHNID: A SSEQ: 479) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: TYR CHNID: A SSEQ: 478) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: ASN CHNID: A SSEQ: 514) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: THR CHNID: A SSEQ: 482) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (RES: LEU CHNID: A SSEQ: 491) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: THR CHNID: A SSEQ: 482) in Token 'SHEET' can not be found in coordinates
PFR193A_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: ILE CHNID: A SSEQ: 479) in Token 'SHEET' can not be found in coordinates