Detailed results of XCR50_NMR_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1540
# INTRA-RESIDUE RESTRAINTS (I=J) : 324
# SEQUENTIAL RESTRAINTS (I-J)=1 : 413
# BACKBONE-BACKBONE : 96
# BACKBONE-SIDE CHAIN : 34
# SIDE CHAIN-SIDE CHAIN : 283
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 321
# BACKBONE-BACKBONE : 80
# BACKBONE-SIDE CHAIN : 82
# SIDE CHAIN-SIDE CHAIN : 159
# LONG RANGE RESTRAINTS (I-J)>=5 : 482
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1540
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 1.0 1.0 0.0 0.0 0.0
ALA 2 0 5.0 2.0 0.0 3.0 0.0
LEU 3 7 31.0 5.5 0.5 25.0 0.0
THR 4 1 18.0 6.5 1.5 10.0 0.0
LEU 5 6 30.0 5.0 3.5 21.5 0.0
TYR 6 2 28.0 5.5 1.5 21.0 0.0
GLN 7 4 13.5 2.5 3.0 8.0 0.0
ARG 8 0 11.5 2.0 0.0 9.5 0.0
ASP 9 1 2.0 2.0 0.0 0.0 0.0
ASP 10 3 2.0 2.0 0.0 0.0 0.0
CYS 11 0 2.0 2.0 0.0 0.0 0.0
HIS 12 0 0.0 0.0 0.0 0.0 0.0
LEU 13 3 9.0 2.0 3.0 4.0 0.0
CYS 14 0 8.0 4.0 2.0 2.0 0.0
ASP 15 3 8.0 5.0 3.0 0.0 0.0
GLN 16 17 18.0 6.5 7.0 4.5 0.0
ALA 17 1 19.0 5.0 6.0 8.0 0.0
VAL 18 4 21.0 4.5 10.5 6.0 0.0
GLU 19 11 16.5 7.0 9.5 0.0 0.0
ALA 20 0 17.0 6.0 7.0 4.0 0.0
LEU 21 9 32.5 5.5 9.0 18.0 0.0
ALA 22 1 12.5 6.0 6.5 0.0 0.0
GLN 23 11 17.0 5.0 9.0 3.0 0.0
ALA 24 2 18.5 4.5 3.5 10.5 0.0
ARG 25 17 8.5 6.0 2.5 0.0 0.0
ALA 26 1 16.5 6.0 2.5 8.0 0.0
GLY 27 0 7.0 5.5 0.5 1.0 0.0
ALA 28 1 5.5 5.5 0.0 0.0 0.0
PHE 29 3 20.5 4.5 1.0 15.0 0.0
PHE 30 3 12.5 5.0 1.0 6.5 0.0
SER 31 3 8.0 6.0 1.5 0.5 0.0
VAL 32 4 18.0 6.0 2.0 10.0 0.0
PHE 33 3 10.0 5.5 3.0 1.5 0.0
ILE 34 9 34.0 7.5 2.5 24.0 0.0
ASP 35 3 9.0 5.5 3.0 0.5 0.0
ASP 36 0 3.0 2.5 0.0 0.5 0.0
ASP 37 4 17.5 5.0 12.5 0.0 0.0
ALA 38 1 8.5 4.5 4.0 0.0 0.0
ALA 39 2 8.0 3.5 4.5 0.0 0.0
LEU 40 8 31.0 6.5 15.5 9.0 0.0
GLU 41 7 21.0 7.5 7.5 6.0 0.0
SER 42 5 14.0 7.0 7.0 0.0 0.0
ALA 43 2 8.0 5.5 2.5 0.0 0.0
TYR 44 0 28.0 4.0 16.5 7.5 0.0
GLY 45 3 10.5 2.5 6.0 2.0 0.0
LEU 46 11 7.0 5.0 1.5 0.5 0.0
ARG 47 13 14.5 9.0 5.5 0.0 0.0
VAL 48 4 31.0 7.5 10.0 13.5 0.0
PRO 49 0 17.5 3.5 0.0 14.0 0.0
VAL 50 2 24.0 4.0 3.0 17.0 0.0
LEU 51 8 41.5 7.5 0.0 34.0 0.0
ARG 52 10 20.5 7.5 0.5 12.5 0.0
ASP 53 3 20.0 8.0 1.5 10.5 0.0
PRO 54 0 11.5 8.0 1.0 2.5 0.0
MET 55 8 10.0 7.0 2.0 1.0 0.0
GLY 56 0 6.0 4.5 1.5 0.0 0.0
ARG 57 9 9.5 5.0 2.0 2.5 0.0
GLU 58 8 18.0 8.0 0.0 10.0 0.0
LEU 59 5 35.5 8.0 4.5 23.0 0.0
ASP 60 3 8.0 6.5 0.5 1.0 0.0
TRP 61 5 20.5 2.5 2.0 16.0 0.0
PRO 62 0 0.0 0.0 0.0 0.0 0.0
PHE 63 3 33.5 3.0 16.0 14.5 0.0
ASP 64 1 17.5 6.5 10.0 1.0 0.0
ALA 65 1 18.0 9.5 4.0 4.5 0.0
PRO 66 0 17.0 10.5 6.5 0.0 0.0
ARG 67 16 31.5 8.0 18.5 5.0 0.0
LEU 68 7 35.0 7.5 13.0 14.5 0.0
ARG 69 11 23.5 8.5 8.0 7.0 0.0
ALA 70 1 12.0 6.5 5.5 0.0 0.0
TRP 71 7 36.0 7.5 5.0 23.5 0.0
LEU 72 10 22.5 9.0 10.5 3.0 0.0
ASP 73 3 9.0 6.0 3.0 0.0 0.0
ALA 74 1 7.0 4.5 2.5 0.0 0.0
ALA 75 1 6.0 3.5 1.5 1.0 0.0
PRO 76 0 5.0 5.0 0.0 0.0 0.0
HIS 77 7 5.5 5.5 0.0 0.0 0.0
ALA 78 1 2.0 2.0 0.0 0.0 0.0
# TOTAL 324 1216.0 413.0 321.0 482.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1540.0
List of conformationally-resticting NOE constraints
#
# UPL file -- produced by PdbStat
#
1 MET HG2 2 ALA HN 6.00
1 MET HG3 2 ALA HN 6.00
2 ALA HN 3 LEU HN 4.70
2 ALA HA 3 LEU HN 3.37
2 ALA QB 29 PHE HN 6.16
2 ALA QB 29 PHE HA 4.00
2 ALA QB 30 PHE HN 4.83
2 ALA QB 30 PHE QD 6.31
2 ALA QB 30 PHE QE 6.99
2 ALA QB 30 PHE HZ 5.84
3 LEU HN 3 LEU HB2 3.73
3 LEU HN 3 LEU HB3 3.73
3 LEU HN 3 LEU QB 3.27
3 LEU HN 3 LEU HG 3.44
3 LEU HN 3 LEU QD1 5.41
3 LEU HN 3 LEU QD2 5.41
3 LEU HN 3 LEU QQD 4.57
3 LEU HN 4 THR HN 6.00
3 LEU HN 29 PHE HA 3.30
3 LEU HN 29 PHE HB2 5.50
3 LEU HN 29 PHE HB3 4.78
3 LEU HA 4 THR HN 2.69
3 LEU HA 53 ASP HA 3.01
3 LEU HB2 4 THR HN 3.48
3 LEU HB2 51 LEU QD1 8.19
3 LEU HB2 51 LEU QD2 8.19
3 LEU HB3 4 THR HN 3.48
3 LEU HB3 51 LEU QD1 8.19
3 LEU HB3 51 LEU QD2 8.19
3 LEU QB 4 THR HN 3.28
3 LEU QB 29 PHE HA 6.45
3 LEU QB 29 PHE HB2 6.16
3 LEU QB 29 PHE HB3 4.94
3 LEU QB 30 PHE HN 5.48
3 LEU QB 51 LEU QQD 6.40
3 LEU QB 53 ASP HA 6.88
3 LEU QB 53 ASP QB 7.75
3 LEU HG 4 THR HN 4.85
3 LEU HG 51 LEU QQD 8.27
3 LEU QD1 4 THR HN 5.44
3 LEU QD1 21 LEU QD1 8.06
3 LEU QD1 21 LEU QD2 8.06
3 LEU QD1 26 ALA QB 6.58
3 LEU QD1 51 LEU QD1 6.33
3 LEU QD1 51 LEU QD2 6.33
3 LEU QD1 53 ASP HB2 7.72
3 LEU QD1 53 ASP HB3 7.72
3 LEU QD1 54 PRO HD2 7.72
3 LEU QD1 54 PRO HD3 7.72
3 LEU QD1 71 TRP HZ3 5.19
3 LEU QD2 4 THR HN 5.44
3 LEU QD2 21 LEU QD1 8.06
3 LEU QD2 21 LEU QD2 8.06
3 LEU QD2 26 ALA QB 6.58
3 LEU QD2 51 LEU QD1 6.33
3 LEU QD2 51 LEU QD2 6.33
3 LEU QD2 53 ASP HB2 7.72
3 LEU QD2 53 ASP HB3 7.72
3 LEU QD2 54 PRO HD2 7.72
3 LEU QD2 54 PRO HD3 7.72
3 LEU QD2 71 TRP HZ3 5.19
3 LEU QQD 4 THR HN 4.63
3 LEU QQD 5 LEU QB 7.46
3 LEU QQD 21 LEU HG 7.84
3 LEU QQD 21 LEU QD1 7.12
3 LEU QQD 21 LEU QD2 7.27
3 LEU QQD 26 ALA QB 5.94
3 LEU QQD 27 GLY HN 8.49
3 LEU QQD 29 PHE HB2 8.60
3 LEU QQD 29 PHE HB3 8.60
3 LEU QQD 51 LEU QQD 5.71
3 LEU QQD 53 ASP HN 8.45
3 LEU QQD 53 ASP HA 5.00
3 LEU QQD 53 ASP QB 5.79
3 LEU QQD 54 PRO QD 6.00
3 LEU QQD 71 TRP HZ3 4.16
3 LEU QQD 71 TRP HH2 5.83
4 THR HN 4 THR HB 3.05
4 THR HN 5 LEU HN 4.60
4 THR HN 51 LEU QD1 7.03
4 THR HN 51 LEU QD2 7.03
4 THR HN 52 ARG HN 3.73
4 THR HN 53 ASP HA 4.31
4 THR HA 5 LEU HN 3.01
4 THR HA 30 PHE HN 3.52
4 THR HA 30 PHE HB3 5.24
4 THR HB 5 LEU HN 4.81
4 THR HB 52 ARG HN 4.70
4 THR HB 52 ARG HB2 4.56
4 THR HB 52 ARG HB3 4.56
4 THR HB 52 ARG QB 4.36
4 THR QG2 5 LEU HN 4.80
4 THR QG2 6 TYR HN 6.60
4 THR QG2 6 TYR QD 9.13
4 THR QG2 6 TYR QE 8.15
4 THR QG2 30 PHE HN 5.91
4 THR QG2 30 PHE HB2 6.06
4 THR QG2 30 PHE HB3 6.16
4 THR QG2 30 PHE QE 9.15
4 THR QG2 32 VAL HN 4.80
4 THR QG2 32 VAL HB 4.76
4 THR QG2 32 VAL QG1 6.98
4 THR QG2 32 VAL QG2 5.28
4 THR QG2 52 ARG HN 7.03
4 THR QG2 52 ARG QB 7.04
5 LEU HN 5 LEU QB 3.72
5 LEU HN 5 LEU HG 5.50
5 LEU HN 5 LEU QD1 5.44
5 LEU HN 5 LEU QD2 5.05
5 LEU HN 6 TYR HN 6.00
5 LEU HN 29 PHE QD 7.73
5 LEU HN 29 PHE QE 8.12
5 LEU HN 30 PHE HB2 6.00
5 LEU HN 30 PHE HB3 5.93
5 LEU HN 31 SER HA 3.84
5 LEU HN 32 VAL HN 4.34
5 LEU HN 32 VAL QG2 7.03
5 LEU HA 5 LEU QD1 4.62
5 LEU HA 5 LEU QD2 5.80
5 LEU HA 6 TYR HN 3.41
5 LEU HA 51 LEU HA 4.60
5 LEU HA 51 LEU QD1 5.95
5 LEU HA 51 LEU QD2 5.95
5 LEU HA 51 LEU QQD 5.32
5 LEU HA 52 ARG HN 3.84
5 LEU QB 6 TYR HN 5.40
5 LEU QB 29 PHE QD 9.00
5 LEU QB 32 VAL HN 5.91
5 LEU QB 51 LEU QQD 9.48
5 LEU HG 6 TYR HN 4.67
5 LEU HG 7 GLN HN 6.00
5 LEU HG 7 GLN QB 5.19
5 LEU QD1 6 TYR HN 4.83
5 LEU QD1 7 GLN HN 7.03
5 LEU QD1 7 GLN QB 6.83
5 LEU QD1 17 ALA QB 5.93
5 LEU QD1 18 VAL HA 7.03
5 LEU QD1 18 VAL QG1 8.06
5 LEU QD1 18 VAL QG2 5.97
5 LEU QD1 21 LEU QD1 5.57
5 LEU QD1 29 PHE QD 9.15
5 LEU QD1 49 PRO HA 5.98
5 LEU QD1 49 PRO HB2 4.87
5 LEU QD1 49 PRO HB3 4.87
5 LEU QD1 49 PRO QB 4.70
5 LEU QD1 50 VAL HN 5.23
5 LEU QD1 51 LEU HN 5.62
5 LEU QD1 51 LEU HA 4.62
5 LEU QD1 51 LEU QQD 7.50
5 LEU QD1 52 ARG HN 7.03
5 LEU QD1 63 PHE QE 8.50
5 LEU QD1 63 PHE HZ 4.33
5 LEU QD2 6 TYR HN 6.02
5 LEU QD2 7 GLN QB 5.82
5 LEU QD2 7 GLN QG 6.86
5 LEU QD2 17 ALA QB 6.76
5 LEU QD2 18 VAL HN 5.77
5 LEU QD2 18 VAL HA 4.98
5 LEU QD2 18 VAL HB 7.03
5 LEU QD2 18 VAL QG2 5.14
5 LEU QD2 21 LEU QD1 6.90
5 LEU QD2 29 PHE QD 9.15
5 LEU QD2 29 PHE QE 7.53
5 LEU QD2 29 PHE HZ 5.80
5 LEU QD2 49 PRO HA 7.03
5 LEU QD2 50 VAL HN 7.03
6 TYR HN 6 TYR HB2 4.16
6 TYR HN 7 GLN HN 5.39
6 TYR HN 50 VAL HN 4.70
6 TYR HN 50 VAL HB 5.60
6 TYR HN 50 VAL QG2 7.03
6 TYR HN 51 LEU HA 4.88
6 TYR HA 6 TYR HB3 3.01
6 TYR HA 7 GLN HN 2.40
6 TYR HA 32 VAL HN 3.55
6 TYR HB2 7 GLN HN 4.49
6 TYR HB2 34 ILE QG2 5.62
6 TYR HB2 34 ILE QD1 7.03
6 TYR HB2 48 VAL QQG 6.82
6 TYR HB2 50 VAL HN 4.92
6 TYR HB2 50 VAL HB 3.77
6 TYR HB2 50 VAL QG1 5.91
6 TYR HB2 50 VAL QG2 5.30
6 TYR HB3 7 GLN HN 3.91
6 TYR HB3 34 ILE QG2 4.47
6 TYR HB3 48 VAL QQG 5.78
6 TYR HB3 50 VAL HN 5.57
6 TYR HB3 50 VAL HB 4.74
6 TYR QD 7 GLN HN 5.94
6 TYR QD 32 VAL HB 7.06
6 TYR QD 32 VAL QG1 6.54
6 TYR QD 32 VAL QG2 9.17
6 TYR QD 34 ILE HA 8.00
6 TYR QD 34 ILE QG2 6.83
6 TYR QD 40 LEU QD1 9.17
6 TYR QD 40 LEU QD2 9.17
6 TYR QD 40 LEU QQD 8.68
6 TYR QD 44 TYR QD 9.13
6 TYR QD 48 VAL QQG 10.04
6 TYR QD 50 VAL HB 6.99
6 TYR QD 50 VAL QG1 7.91
6 TYR QD 50 VAL QG2 9.17
6 TYR QE 32 VAL HB 8.13
6 TYR QE 32 VAL QG1 6.78
6 TYR QE 32 VAL QG2 8.33
6 TYR QE 34 ILE QG2 9.16
6 TYR QE 40 LEU QD1 8.22
6 TYR QE 40 LEU QD2 8.22
6 TYR QE 40 LEU QQD 7.62
6 TYR QE 50 VAL QG1 9.09
6 TYR QE 52 ARG HB2 7.20
6 TYR QE 52 ARG HB3 7.20
6 TYR QE 52 ARG QB 7.09
6 TYR QE 52 ARG HD2 6.33
6 TYR QE 52 ARG HD3 7.63
7 GLN HN 7 GLN QB 3.73
7 GLN HN 7 GLN HG2 4.27
7 GLN HN 7 GLN HG3 4.27
7 GLN HN 7 GLN QG 4.09
7 GLN HN 32 VAL HN 3.88
7 GLN HN 32 VAL HB 5.21
7 GLN HN 32 VAL QG1 5.84
7 GLN HN 32 VAL QG2 6.56
7 GLN HN 33 PHE HN 5.24
7 GLN HN 33 PHE HA 5.35
7 GLN HN 34 ILE HN 4.67
7 GLN HN 34 ILE QG2 4.11
7 GLN HN 34 ILE QG1 6.88
7 GLN HA 48 VAL HB 4.74
7 GLN HA 48 VAL QG1 5.44
7 GLN HA 48 VAL QG2 5.44
7 GLN HA 48 VAL QQG 4.98
7 GLN HA 50 VAL HN 6.00
7 GLN QB 32 VAL HN 6.88
7 GLN QB 49 PRO HA 6.88
8 ARG HA 9 ASP HN 2.90
8 ARG HA 33 PHE QD 8.09
8 ARG HA 34 ILE HN 4.31
8 ARG HA 35 ASP HN 4.74
8 ARG HB2 9 ASP HN 4.49
8 ARG HB2 48 VAL QG1 10.15
8 ARG HB2 48 VAL QG2 10.15
8 ARG HB3 9 ASP HN 4.49
8 ARG HB3 48 VAL QG1 10.15
8 ARG HB3 48 VAL QG2 10.15
8 ARG QB 9 ASP HN 4.29
8 ARG QB 48 VAL QQG 8.09
8 ARG HG2 48 VAL QG1 10.15
8 ARG HG2 48 VAL QG2 10.15
8 ARG HG3 48 VAL QG1 10.15
8 ARG HG3 48 VAL QG2 10.15
8 ARG QG 34 ILE QG1 7.10
8 ARG QG 48 VAL QQG 8.28
8 ARG HD2 48 VAL QG1 9.68
8 ARG HD2 48 VAL QG2 9.68
8 ARG HD3 48 VAL QG1 9.68
8 ARG HD3 48 VAL QG2 9.68
8 ARG QD 48 VAL QQG 7.87
9 ASP HN 9 ASP QB 3.59
10 ASP HN 10 ASP HB2 3.23
10 ASP HN 10 ASP HB3 3.80
10 ASP HN 11 CYS HN 4.49
10 ASP HA 10 ASP HB2 2.83
10 ASP HA 11 CYS HN 2.80
10 ASP HB2 11 CYS HN 5.68
10 ASP HB3 11 CYS HN 4.88
13 LEU HN 13 LEU HG 5.24
13 LEU HN 13 LEU QD1 5.77
13 LEU HN 14 CYS HN 4.49
13 LEU HA 13 LEU QD1 3.90
13 LEU HA 16 GLN HN 4.49
13 LEU HA 16 GLN HG3 6.00
13 LEU HA 16 GLN QE2 5.90
13 LEU HG 14 CYS HN 6.00
13 LEU QD1 14 CYS HN 7.03
13 LEU QD1 16 GLN HE21 6.56
13 LEU QD1 16 GLN HE22 6.56
13 LEU QD1 16 GLN QE2 6.32
13 LEU QD1 61 TRP HD1 5.26
13 LEU QD1 61 TRP HE1 3.61
13 LEU QD1 61 TRP HZ2 5.05
13 LEU QD2 14 CYS HN 7.03
13 LEU QD2 49 PRO HD2 5.77
13 LEU QD2 49 PRO HD3 5.77
13 LEU QD2 49 PRO QD 5.63
13 LEU QD2 61 TRP HD1 5.30
13 LEU QD2 61 TRP HE1 5.37
14 CYS HN 15 ASP HN 3.98
14 CYS HA 17 ALA HN 4.34
14 CYS HA 17 ALA QB 3.79
14 CYS HA 18 VAL QG2 5.48
14 CYS HA 49 PRO HB2 6.00
14 CYS HA 49 PRO HB3 6.00
14 CYS HA 49 PRO QB 5.35
14 CYS HA 49 PRO QG 5.30
14 CYS HB2 15 ASP HN 4.63
14 CYS HB3 15 ASP HN 4.63
14 CYS QB 15 ASP HN 4.11
14 CYS QB 17 ALA QB 7.26
15 ASP HN 15 ASP HB2 3.84
15 ASP HN 15 ASP HB3 3.84
15 ASP HN 15 ASP QB 3.49
15 ASP HN 16 GLN HN 3.34
15 ASP HN 17 ALA HN 4.92
15 ASP HN 18 VAL HN 6.00
15 ASP HA 18 VAL HN 3.70
15 ASP HA 18 VAL HB 3.55
15 ASP HA 18 VAL QG1 7.03
15 ASP HA 18 VAL QG2 4.58
15 ASP HB2 16 GLN HN 3.73
15 ASP HB3 16 GLN HN 3.73
15 ASP QB 16 GLN HA 4.83
15 ASP QB 16 GLN HG2 6.88
15 ASP QB 16 GLN HG3 6.56
16 GLN HN 16 GLN HB2 3.80
16 GLN HN 16 GLN HB3 3.80
16 GLN HN 16 GLN QB 3.57
16 GLN HN 16 GLN HG2 3.77
16 GLN HN 16 GLN HG3 3.34
16 GLN HN 17 ALA HN 3.16
16 GLN HN 18 VAL HN 4.74
16 GLN HA 16 GLN HB2 2.98
16 GLN HA 16 GLN HB3 2.98
16 GLN HA 16 GLN HG2 4.06
16 GLN HA 16 GLN HG3 3.98
16 GLN HA 16 GLN QE2 6.87
16 GLN HA 19 GLU HN 3.84
16 GLN HA 19 GLU HB2 4.49
16 GLN HA 19 GLU HB3 4.49
16 GLN HA 19 GLU QB 4.07
16 GLN HA 19 GLU HG2 5.06
16 GLN HA 19 GLU HG3 5.06
16 GLN HA 20 ALA HN 5.57
16 GLN HA 61 TRP HH2 6.00
16 GLN HB2 16 GLN HE21 7.73
16 GLN HB2 16 GLN HE22 7.73
16 GLN HB2 17 ALA HN 4.42
16 GLN HB2 61 TRP HZ2 6.00
16 GLN HB2 61 TRP HH2 4.96
16 GLN HB3 16 GLN HE21 7.73
16 GLN HB3 16 GLN HE22 7.73
16 GLN HB3 17 ALA HN 4.42
16 GLN HB3 61 TRP HZ2 6.00
16 GLN HB3 61 TRP HH2 4.96
16 GLN QB 17 ALA HN 4.01
16 GLN QB 17 ALA HA 5.01
16 GLN QB 61 TRP HE3 6.88
16 GLN QB 61 TRP HE1 6.88
16 GLN QB 61 TRP HH2 4.53
16 GLN HG2 17 ALA HN 6.00
16 GLN HG2 61 TRP HH2 5.10
16 GLN HG3 16 GLN HE21 3.62
16 GLN HG3 16 GLN HE22 3.62
16 GLN HG3 16 GLN QE2 3.37
16 GLN HG3 17 ALA HN 6.00
17 ALA HN 17 ALA QB 3.43
17 ALA HN 18 VAL HN 3.37
17 ALA HN 18 VAL QG2 5.52
17 ALA HN 19 GLU HN 4.38
17 ALA HN 20 ALA HN 6.00
17 ALA HN 63 PHE QE 8.12
17 ALA HA 20 ALA HN 3.59
17 ALA HA 20 ALA QB 3.82
17 ALA HA 21 LEU HN 4.81
17 ALA HA 61 TRP HE3 5.78
17 ALA HA 61 TRP HZ3 4.06
17 ALA HA 63 PHE QE 7.15
17 ALA HA 68 LEU QD2 7.03
17 ALA QB 18 VAL HN 3.79
17 ALA QB 19 GLU HN 7.03
17 ALA QB 20 ALA QB 6.80
17 ALA QB 21 LEU QD1 8.06
17 ALA QB 49 PRO HB2 5.55
17 ALA QB 49 PRO HB3 5.55
17 ALA QB 49 PRO QB 5.32
17 ALA QB 49 PRO QG 7.22
17 ALA QB 61 TRP HE3 5.52
17 ALA QB 61 TRP HZ3 5.37
17 ALA QB 63 PHE QD 9.15
17 ALA QB 63 PHE QE 7.28
17 ALA QB 63 PHE HZ 4.69
18 VAL HN 18 VAL HB 2.90
18 VAL HN 18 VAL QG2 3.43
18 VAL HN 19 GLU HN 2.80
18 VAL HN 20 ALA HN 4.49
18 VAL HN 21 LEU QD1 7.03
18 VAL HA 18 VAL QG1 3.61
18 VAL HA 18 VAL QG2 3.72
18 VAL HA 21 LEU HN 3.55
18 VAL HA 21 LEU HB2 3.44
18 VAL HA 21 LEU HB3 4.70
18 VAL HA 21 LEU HG 4.85
18 VAL HA 21 LEU QD1 4.04
18 VAL HA 21 LEU QD2 5.95
18 VAL HA 22 ALA HN 5.39
18 VAL HA 29 PHE HZ 5.24
18 VAL HB 19 GLU HN 3.41
18 VAL HB 22 ALA QB 7.03
18 VAL QG1 19 GLU HN 4.98
18 VAL QG1 19 GLU HA 5.59
18 VAL QG1 19 GLU QG 7.51
18 VAL QG1 21 LEU QD1 8.06
18 VAL QG1 22 ALA HN 7.03
18 VAL QG1 22 ALA QB 7.41
18 VAL QG1 29 PHE QE 8.03
18 VAL QG1 29 PHE HZ 4.51
18 VAL QG2 19 GLU HN 5.19
18 VAL QG2 21 LEU QD1 6.51
18 VAL QG2 29 PHE QD 9.15
18 VAL QG2 29 PHE HZ 4.40
19 GLU HN 19 GLU HB2 3.08
19 GLU HN 19 GLU HB3 3.08
19 GLU HN 19 GLU QB 2.88
19 GLU HN 19 GLU HG2 4.42
19 GLU HN 19 GLU HG3 4.42
19 GLU HN 19 GLU QG 4.24
19 GLU HN 20 ALA HN 3.05
19 GLU HN 20 ALA QB 5.80
19 GLU HA 19 GLU HB2 2.94
19 GLU HA 19 GLU HB3 2.94
19 GLU HA 19 GLU HG2 3.30
19 GLU HA 19 GLU HG3 3.30
19 GLU HA 19 GLU QG 3.09
19 GLU HA 21 LEU HN 4.31
19 GLU HA 22 ALA QB 3.68
19 GLU HA 23 GLN HN 4.67
19 GLU HB2 20 ALA HN 3.98
19 GLU HB3 20 ALA HN 3.98
19 GLU QB 20 ALA HN 3.81
19 GLU QB 23 GLN QE2 7.74
19 GLU HG2 20 ALA HN 6.00
19 GLU HG2 22 ALA QB 7.03
19 GLU HG2 23 GLN HE21 7.73
19 GLU HG2 23 GLN HE22 7.73
19 GLU HG3 20 ALA HN 6.00
19 GLU HG3 22 ALA QB 7.03
19 GLU HG3 23 GLN HE21 7.73
19 GLU HG3 23 GLN HE22 7.73
19 GLU QG 20 ALA HN 5.83
19 GLU QG 23 GLN QE2 6.81
20 ALA HN 21 LEU HN 2.98
20 ALA HN 23 GLN HN 4.92
20 ALA HN 68 LEU QD2 7.03
20 ALA HA 23 GLN HN 3.55
20 ALA HA 23 GLN HB2 3.34
20 ALA HA 23 GLN HB3 3.88
20 ALA HA 23 GLN HG2 5.96
20 ALA HA 23 GLN HG3 4.85
20 ALA QB 21 LEU HN 3.43
20 ALA QB 21 LEU HA 4.87
20 ALA QB 21 LEU QD1 8.06
20 ALA QB 23 GLN HB2 7.03
20 ALA QB 23 GLN HB3 7.03
20 ALA QB 51 LEU QQD 9.63
20 ALA QB 61 TRP HZ3 6.85
20 ALA QB 63 PHE QD 7.39
20 ALA QB 63 PHE QE 6.85
20 ALA QB 64 ASP HA 4.62
20 ALA QB 65 ALA HN 5.44
20 ALA QB 68 LEU QD2 5.46
21 LEU HN 21 LEU HB2 3.44
21 LEU HN 21 LEU HB3 3.59
21 LEU HN 21 LEU HG 3.41
21 LEU HN 21 LEU QD1 4.44
21 LEU HN 21 LEU QD2 5.19
21 LEU HN 22 ALA HN 2.94
21 LEU HN 22 ALA QB 5.41
21 LEU HN 23 GLN HN 4.99
21 LEU HN 24 ALA HN 4.96
21 LEU HN 68 LEU QD2 4.36
21 LEU HA 21 LEU HG 3.01
21 LEU HA 21 LEU QD1 4.62
21 LEU HA 21 LEU QD2 3.57
21 LEU HA 24 ALA HN 4.45
21 LEU HA 24 ALA QB 4.11
21 LEU HA 25 ARG HN 4.78
21 LEU HA 26 ALA HN 3.77
21 LEU HA 26 ALA QB 4.00
21 LEU HA 68 LEU QD2 3.79
21 LEU HB2 22 ALA HN 3.44
21 LEU HB3 21 LEU QD1 3.75
21 LEU HB3 22 ALA HN 3.52
21 LEU HB3 68 LEU QD2 7.03
21 LEU HG 22 ALA HN 6.00
21 LEU HG 63 PHE QE 8.12
21 LEU HG 68 LEU QD2 4.36
21 LEU QD1 22 ALA HN 6.02
21 LEU QD1 26 ALA QB 7.16
21 LEU QD1 29 PHE HB2 7.03
21 LEU QD1 29 PHE HB3 7.03
21 LEU QD1 29 PHE QD 8.36
21 LEU QD1 29 PHE QE 7.42
21 LEU QD1 51 LEU QD1 7.62
21 LEU QD1 51 LEU QD2 7.62
21 LEU QD1 51 LEU QQD 7.01
21 LEU QD1 68 LEU QD1 8.06
21 LEU QD1 68 LEU QD2 6.36
21 LEU QD2 22 ALA HN 5.44
21 LEU QD2 24 ALA QB 7.34
21 LEU QD2 26 ALA HN 4.80
21 LEU QD2 26 ALA HA 6.42
21 LEU QD2 26 ALA QB 5.10
21 LEU QD2 27 GLY HN 6.34
21 LEU QD2 29 PHE HB2 7.03
21 LEU QD2 29 PHE HB3 6.88
21 LEU QD2 29 PHE QD 8.47
21 LEU QD2 29 PHE QE 9.15
21 LEU QD2 51 LEU HG 5.77
21 LEU QD2 68 LEU QD1 8.06
22 ALA HN 22 ALA QB 3.43
22 ALA HN 23 GLN HN 3.12
22 ALA HN 24 ALA HN 4.70
22 ALA HN 26 ALA HN 6.00
22 ALA HA 23 GLN HA 5.42
22 ALA HA 25 ARG HN 3.66
22 ALA HA 26 ALA HN 3.77
22 ALA QB 23 GLN HN 3.93
22 ALA QB 23 GLN HG2 5.59
22 ALA QB 23 GLN HG3 6.34
22 ALA QB 24 ALA HN 5.77
22 ALA QB 26 ALA HN 7.03
23 GLN HN 23 GLN HA 2.69
23 GLN HN 23 GLN HB2 3.05
23 GLN HN 23 GLN HB3 3.41
23 GLN HN 23 GLN HG2 3.26
23 GLN HN 23 GLN HG3 3.01
23 GLN HN 24 ALA HN 2.83
23 GLN HN 25 ARG HN 4.27
23 GLN HN 65 ALA QB 6.24
23 GLN HA 23 GLN HB3 2.72
23 GLN HA 23 GLN HG2 3.23
23 GLN HA 23 GLN HG3 3.41
23 GLN HA 25 ARG HN 4.49
23 GLN HA 65 ALA QB 5.62
23 GLN HB2 23 GLN HG3 2.76
23 GLN HB2 24 ALA HN 3.08
23 GLN HB2 65 ALA QB 3.72
23 GLN HB3 23 GLN HG2 2.80
23 GLN HB3 23 GLN HG3 2.90
23 GLN HB3 24 ALA HN 3.66
23 GLN HB3 65 ALA QB 3.61
23 GLN HG2 24 ALA HN 4.85
23 GLN HG2 65 ALA QB 6.13
23 GLN HG3 24 ALA HN 4.85
23 GLN HG3 65 ALA QB 6.45
24 ALA HN 24 ALA HA 2.90
24 ALA HN 24 ALA QB 3.43
24 ALA HN 25 ARG HN 2.62
24 ALA HN 65 ALA QB 5.23
24 ALA HN 68 LEU QD2 4.94
24 ALA HA 25 ARG HN 3.52
24 ALA HA 68 LEU QD2 7.03
24 ALA HA 69 ARG HB2 4.31
24 ALA HA 69 ARG HB3 4.31
24 ALA HA 69 ARG QB 4.09
24 ALA HA 69 ARG QG 6.88
24 ALA HA 69 ARG HD2 6.00
24 ALA HA 69 ARG HD3 6.00
24 ALA QB 25 ARG HN 4.29
24 ALA QB 25 ARG HA 5.73
24 ALA QB 26 ALA HN 3.93
24 ALA QB 65 ALA HA 4.44
24 ALA QB 68 LEU QB 5.53
24 ALA QB 68 LEU QD2 5.28
24 ALA QB 69 ARG HN 7.03
24 ALA QB 69 ARG HA 4.58
24 ALA QB 69 ARG HB2 5.16
24 ALA QB 69 ARG HB3 5.16
24 ALA QB 69 ARG QB 4.99
24 ALA QB 69 ARG QG 7.33
24 ALA QB 69 ARG HD2 7.03
24 ALA QB 69 ARG HD3 7.03
24 ALA QB 72 LEU QQD 7.97
25 ARG HN 25 ARG HB2 3.70
25 ARG HN 25 ARG HG2 4.20
25 ARG HN 25 ARG HG3 4.20
25 ARG HN 25 ARG QG 3.72
25 ARG HN 25 ARG HD2 5.75
25 ARG HN 25 ARG HD3 5.75
25 ARG HN 25 ARG QD 5.40
25 ARG HN 26 ALA HN 3.26
25 ARG HA 25 ARG HB2 2.98
25 ARG HA 25 ARG QG 3.60
25 ARG HA 25 ARG HD2 6.00
25 ARG HA 25 ARG HD3 6.00
25 ARG HA 25 ARG QD 5.67
25 ARG HA 26 ALA HN 2.83
25 ARG HA 26 ALA QB 5.30
25 ARG HA 27 GLY HN 4.27
25 ARG HB2 25 ARG HG2 2.94
25 ARG HB2 25 ARG HG3 2.94
25 ARG HB2 25 ARG QD 3.73
25 ARG HB2 26 ALA HN 4.81
25 ARG HB3 25 ARG HD2 3.16
25 ARG HB3 25 ARG HD3 3.16
25 ARG HB3 26 ALA HN 5.28
25 ARG HG2 26 ALA HN 6.00
25 ARG HG3 26 ALA HN 6.00
25 ARG QD 26 ALA HN 6.81
26 ALA HN 26 ALA QB 3.43
26 ALA HN 27 GLY HN 3.80
26 ALA HN 68 LEU QD2 5.34
26 ALA HN 72 LEU QQD 6.83
26 ALA HA 27 GLY HN 3.59
26 ALA HA 27 GLY QA 5.30
26 ALA HA 72 LEU QQD 6.08
26 ALA QB 27 GLY HN 4.22
26 ALA QB 29 PHE QD 8.68
26 ALA QB 68 LEU QD2 6.00
26 ALA QB 72 LEU QD1 6.98
26 ALA QB 72 LEU QD2 6.98
26 ALA QB 72 LEU QQD 6.22
27 GLY HN 28 ALA HN 4.70
27 GLY HA1 28 ALA HN 3.16
27 GLY HA1 28 ALA QB 6.09
27 GLY HA2 28 ALA HN 3.16
27 GLY HA2 28 ALA QB 6.09
27 GLY QA 28 ALA HN 2.98
27 GLY QA 28 ALA QB 5.97
28 ALA HN 28 ALA QB 3.43
28 ALA HN 29 PHE HN 4.60
28 ALA HA 29 PHE HN 2.69
28 ALA HA 29 PHE QD 8.12
28 ALA QB 29 PHE HN 3.43
29 PHE HN 29 PHE HB2 3.88
29 PHE HN 29 PHE HB3 3.77
29 PHE HN 29 PHE QE 7.19
29 PHE HN 30 PHE HN 4.88
29 PHE HA 30 PHE HN 3.26
29 PHE HB2 30 PHE HN 4.24
29 PHE HB3 30 PHE HN 3.59
29 PHE QD 30 PHE HN 7.29
29 PHE QE 31 SER QB 9.00
30 PHE HN 30 PHE HB2 2.90
30 PHE HN 30 PHE HB3 3.59
30 PHE HN 31 SER HN 5.28
30 PHE HA 30 PHE HB3 2.83
30 PHE HA 31 SER HN 2.51
30 PHE HB2 31 SER HN 4.16
30 PHE HB2 32 VAL QG2 6.85
30 PHE HB3 31 SER HN 3.41
30 PHE HB3 32 VAL QG2 5.91
30 PHE QD 31 SER HN 7.87
31 SER HN 31 SER HB2 3.48
31 SER HN 31 SER HB3 3.48
31 SER HN 31 SER QB 3.13
31 SER HN 32 VAL HN 5.86
31 SER HN 32 VAL QG2 6.02
31 SER HA 32 VAL HN 2.76
31 SER HA 32 VAL QG2 5.66
31 SER HB2 32 VAL HN 4.38
31 SER HB2 33 PHE QE 6.57
31 SER HB3 32 VAL HN 4.38
31 SER HB3 33 PHE QE 6.57
31 SER QB 32 VAL HN 3.97
32 VAL HN 32 VAL HB 3.19
32 VAL HN 32 VAL QG2 3.86
32 VAL HN 33 PHE HN 5.14
32 VAL HA 32 VAL QG1 3.61
32 VAL HA 32 VAL QG2 3.57
32 VAL HA 33 PHE HN 2.83
32 VAL HB 33 PHE HN 4.49
32 VAL QG1 33 PHE HN 3.61
32 VAL QG1 34 ILE HN 5.73
32 VAL QG1 34 ILE HA 5.91
32 VAL QG2 33 PHE HN 5.01
32 VAL QG2 40 LEU QQD 9.63
33 PHE HN 33 PHE HB2 4.02
33 PHE HN 33 PHE HB3 4.02
33 PHE HN 33 PHE QB 3.76
33 PHE HN 34 ILE HN 5.64
33 PHE HA 34 ILE HN 3.05
33 PHE HA 34 ILE QG2 5.26
33 PHE HA 35 ASP HN 4.85
33 PHE HB2 34 ILE HN 4.27
33 PHE HB2 35 ASP HN 4.78
33 PHE HB3 34 ILE HN 4.27
33 PHE HB3 35 ASP HN 4.78
33 PHE QB 34 ILE HN 3.88
33 PHE QB 35 ASP HN 4.30
34 ILE HN 34 ILE QG2 3.64
34 ILE HN 34 ILE HG12 3.16
34 ILE HN 34 ILE HG13 3.16
34 ILE HN 34 ILE QG1 2.96
34 ILE HN 34 ILE QD1 5.34
34 ILE HN 35 ASP HN 3.23
34 ILE HN 48 VAL QQG 8.59
34 ILE HA 34 ILE HB 2.69
34 ILE HA 34 ILE QG2 3.43
34 ILE HA 34 ILE QD1 4.76
34 ILE HA 35 ASP HN 3.44
34 ILE HA 37 ASP HB2 5.03
34 ILE HA 37 ASP HB3 5.03
34 ILE HA 37 ASP QB 4.57
34 ILE HA 40 LEU HB2 4.70
34 ILE HA 40 LEU HB3 4.70
34 ILE HA 40 LEU QB 4.46
34 ILE HA 40 LEU QD1 5.62
34 ILE HA 40 LEU QD2 5.62
34 ILE HB 34 ILE QD1 3.43
34 ILE HB 35 ASP HN 4.70
34 ILE HB 40 LEU HB2 4.09
34 ILE HB 40 LEU HB3 4.09
34 ILE HB 40 LEU QB 3.92
34 ILE HB 40 LEU QQD 8.06
34 ILE HB 41 GLU HA 6.00
34 ILE HB 41 GLU HG2 5.32
34 ILE QG2 35 ASP HN 5.37
34 ILE QG2 40 LEU QB 5.93
34 ILE QG2 44 TYR HB2 4.90
34 ILE QG2 44 TYR HB3 4.87
34 ILE QG2 44 TYR QD 7.01
34 ILE QG2 44 TYR QE 7.83
34 ILE HG12 35 ASP HN 4.56
34 ILE HG12 41 GLU HG3 6.00
34 ILE HG13 35 ASP HN 4.56
34 ILE HG13 41 GLU HG3 6.00
34 ILE QG1 35 ASP HN 4.12
34 ILE QG1 35 ASP HA 6.34
34 ILE QG1 41 GLU HG3 5.56
34 ILE QG1 48 VAL QQG 8.14
34 ILE QD1 35 ASP HN 6.06
34 ILE QD1 40 LEU QB 6.47
34 ILE QD1 41 GLU HN 6.13
34 ILE QD1 41 GLU HA 3.46
34 ILE QD1 41 GLU QB 6.54
34 ILE QD1 41 GLU HG2 4.36
34 ILE QD1 41 GLU HG3 5.59
34 ILE QD1 44 TYR HB2 4.54
34 ILE QD1 44 TYR HB3 5.88
34 ILE QD1 44 TYR QD 8.74
34 ILE QD1 45 GLY HN 4.29
34 ILE QD1 45 GLY HA1 4.83
34 ILE QD1 45 GLY HA2 4.83
34 ILE QD1 45 GLY QA 4.52
34 ILE QD1 46 LEU HA 7.03
34 ILE QD1 48 VAL HN 6.13
34 ILE QD1 48 VAL QQG 8.57
35 ASP HN 35 ASP HB2 3.52
35 ASP HN 35 ASP HB3 3.52
35 ASP HN 35 ASP QB 3.28
35 ASP HN 36 ASP HN 5.53
35 ASP HN 37 ASP HN 6.00
35 ASP HA 36 ASP HN 2.83
35 ASP HA 37 ASP HN 4.45
36 ASP HN 37 ASP HN 3.48
36 ASP HA 41 GLU HG3 6.00
36 ASP HB2 37 ASP HN 5.17
36 ASP HB3 37 ASP HN 5.17
37 ASP HN 37 ASP HA 2.87
37 ASP HN 37 ASP HB2 3.55
37 ASP HN 37 ASP HB3 3.55
37 ASP HN 37 ASP QB 3.33
37 ASP HN 38 ALA HN 4.74
37 ASP HN 40 LEU QB 6.05
37 ASP HN 40 LEU QQD 8.60
37 ASP HN 41 GLU HG3 4.20
37 ASP HA 38 ALA HN 2.65
37 ASP HA 38 ALA HA 5.46
37 ASP HA 38 ALA QB 5.34
37 ASP HA 39 ALA HN 3.59
37 ASP HB2 38 ALA HN 4.70
37 ASP HB2 40 LEU HN 4.49
37 ASP HB2 40 LEU HB2 5.88
37 ASP HB2 40 LEU HB3 5.88
37 ASP HB2 40 LEU HG 6.00
37 ASP HB2 40 LEU QD1 8.30
37 ASP HB2 40 LEU QD2 8.30
37 ASP HB3 38 ALA HN 4.70
37 ASP HB3 40 LEU HN 4.49
37 ASP HB3 40 LEU HB2 5.88
37 ASP HB3 40 LEU HB3 5.88
37 ASP HB3 40 LEU HG 6.00
37 ASP HB3 40 LEU QD1 8.30
37 ASP HB3 40 LEU QD2 8.30
37 ASP QB 38 ALA HN 4.39
37 ASP QB 40 LEU HN 3.92
37 ASP QB 40 LEU QB 4.82
37 ASP QB 40 LEU HG 5.69
37 ASP QB 40 LEU QQD 6.21
38 ALA HN 38 ALA QB 3.43
38 ALA HN 39 ALA HN 2.94
38 ALA HN 40 LEU HN 4.34
38 ALA HA 41 GLU HN 3.70
38 ALA HA 41 GLU HB2 3.52
38 ALA HA 41 GLU HB3 3.52
38 ALA HA 41 GLU HG2 3.88
38 ALA HA 42 SER HN 3.73
38 ALA QB 39 ALA HN 3.64
38 ALA QB 41 GLU HN 7.03
38 ALA QB 42 SER HN 7.03
39 ALA HN 39 ALA HA 2.80
39 ALA HN 39 ALA QB 3.43
39 ALA HN 40 LEU HN 3.41
39 ALA HN 41 GLU HN 4.02
39 ALA HA 42 SER HN 3.55
39 ALA QB 40 LEU HN 3.75
39 ALA QB 40 LEU HG 6.99
39 ALA QB 40 LEU QD1 8.06
39 ALA QB 40 LEU QD2 8.06
39 ALA QB 42 SER HN 7.03
39 ALA QB 42 SER HB2 7.03
39 ALA QB 42 SER HB3 7.03
39 ALA QB 42 SER QB 6.43
39 ALA QB 43 ALA HN 6.60
39 ALA QB 43 ALA QB 6.18
40 LEU HN 40 LEU HB2 4.02
40 LEU HN 40 LEU HB3 4.02
40 LEU HN 40 LEU HG 2.62
40 LEU HN 40 LEU QD1 5.34
40 LEU HN 40 LEU QD2 5.34
40 LEU HN 40 LEU QQD 4.97
40 LEU HN 41 GLU HN 3.48
40 LEU HN 42 SER HN 4.31
40 LEU HA 40 LEU QD1 5.19
40 LEU HA 40 LEU QD2 5.19
40 LEU HA 43 ALA HN 3.23
40 LEU HA 44 TYR QD 6.70
40 LEU HA 44 TYR QE 8.13
40 LEU HB2 41 GLU HN 5.24
40 LEU HB2 44 TYR QD 8.14
40 LEU HB3 41 GLU HN 5.24
40 LEU HB3 44 TYR QD 8.14
40 LEU QB 41 GLU HN 4.39
40 LEU QB 44 TYR QD 7.76
40 LEU HG 41 GLU HN 4.45
40 LEU QD1 41 GLU HN 6.96
40 LEU QD1 44 TYR QD 7.44
40 LEU QD1 44 TYR QE 9.16
40 LEU QD2 41 GLU HN 6.96
40 LEU QD2 44 TYR QD 7.44
40 LEU QD2 44 TYR QE 9.16
40 LEU QQD 41 GLU HN 6.52
40 LEU QQD 44 TYR QE 7.98
41 GLU HN 41 GLU HB2 3.73
41 GLU HN 41 GLU HB3 3.73
41 GLU HN 41 GLU QB 3.41
41 GLU HN 41 GLU HG2 4.16
41 GLU HN 41 GLU HG3 4.20
41 GLU HN 42 SER HN 2.90
41 GLU HN 44 TYR HN 5.78
41 GLU HA 41 GLU HG2 3.55
41 GLU HA 41 GLU HG3 3.62
41 GLU HA 43 ALA HN 5.89
41 GLU HA 44 TYR HN 5.39
41 GLU HA 45 GLY HN 3.52
41 GLU HA 45 GLY QA 4.76
41 GLU HA 48 VAL QQG 8.05
41 GLU HB2 42 SER HN 3.48
41 GLU HB3 42 SER HN 3.48
41 GLU QB 42 SER HN 3.24
41 GLU QB 42 SER HA 5.01
41 GLU QB 43 ALA HN 5.44
41 GLU HG2 42 SER HN 4.96
41 GLU HG2 45 GLY HN 6.00
41 GLU HG3 42 SER HN 4.96
41 GLU HG3 45 GLY HN 6.00
42 SER HN 42 SER HA 2.90
42 SER HN 42 SER HB2 3.08
42 SER HN 42 SER HB3 3.08
42 SER HN 43 ALA HN 3.12
42 SER HN 43 ALA QB 5.84
42 SER HN 44 TYR HN 5.17
42 SER HN 45 GLY QA 6.88
42 SER HA 42 SER HB2 2.90
42 SER HA 42 SER HB3 2.90
42 SER HA 44 TYR HN 5.14
42 SER HB2 43 ALA HN 3.88
42 SER HB2 43 ALA QB 7.03
42 SER HB2 44 TYR HN 5.68
42 SER HB3 43 ALA HN 3.88
42 SER HB3 43 ALA QB 7.03
42 SER HB3 44 TYR HN 5.68
42 SER QB 43 ALA HN 3.69
42 SER QB 44 TYR HN 5.43
43 ALA HN 43 ALA HA 2.83
43 ALA HN 43 ALA QB 3.43
43 ALA HN 44 TYR HN 2.98
43 ALA HN 44 TYR QD 7.06
43 ALA QB 44 TYR HN 3.93
43 ALA QB 44 TYR QE 7.58
44 TYR HN 45 GLY HN 2.80
44 TYR HA 47 ARG HN 3.41
44 TYR HA 47 ARG HB2 4.24
44 TYR HA 47 ARG HB3 4.88
44 TYR HA 47 ARG QG 6.34
44 TYR HA 47 ARG HD2 4.09
44 TYR HA 47 ARG HD3 5.06
44 TYR HA 48 VAL HN 5.71
44 TYR HA 50 VAL QG2 6.78
44 TYR HB2 45 GLY HN 3.62
44 TYR HB2 48 VAL QG1 6.74
44 TYR HB2 48 VAL QG2 6.74
44 TYR HB2 48 VAL QQG 5.49
44 TYR HB3 45 GLY HN 4.06
44 TYR HB3 47 ARG HN 4.34
44 TYR HB3 48 VAL QG1 6.85
44 TYR HB3 48 VAL QG2 6.85
44 TYR HB3 48 VAL QQG 5.44
44 TYR HB3 50 VAL QG2 4.94
44 TYR QD 45 GLY HN 7.17
44 TYR QD 48 VAL QQG 9.25
44 TYR QD 50 VAL HB 8.14
44 TYR QD 50 VAL QG1 7.40
44 TYR QD 50 VAL QG2 7.48
44 TYR QE 48 VAL QQG 10.72
44 TYR QE 50 VAL QG1 6.96
44 TYR QE 50 VAL QG2 8.87
45 GLY HN 45 GLY HA1 2.90
45 GLY HN 45 GLY HA2 2.90
45 GLY HN 45 GLY QA 2.58
45 GLY HN 46 LEU HN 5.24
45 GLY HN 47 ARG HN 5.53
45 GLY HN 48 VAL QQG 6.00
45 GLY HA1 48 VAL QG1 8.56
45 GLY HA1 48 VAL QG2 8.56
45 GLY HA2 48 VAL QG1 8.56
45 GLY HA2 48 VAL QG2 8.56
45 GLY QA 48 VAL QQG 6.60
46 LEU HN 46 LEU HB2 3.48
46 LEU HN 46 LEU HB3 3.62
46 LEU HN 46 LEU HG 4.60
46 LEU HN 46 LEU QD1 5.52
46 LEU HN 46 LEU QD2 5.52
46 LEU HN 46 LEU QQD 4.98
46 LEU HN 47 ARG HN 2.65
46 LEU HN 47 ARG HB2 4.74
46 LEU HN 47 ARG QG 6.63
46 LEU HN 48 VAL HN 4.38
46 LEU HA 46 LEU QD1 4.90
46 LEU HA 46 LEU QD2 4.90
46 LEU HA 46 LEU QQD 3.93
46 LEU HA 47 ARG HN 3.55
46 LEU HA 48 VAL HN 4.31
46 LEU HB2 46 LEU HG 2.51
46 LEU HB2 47 ARG HN 3.59
46 LEU HB3 46 LEU HG 2.54
46 LEU HB3 47 ARG HN 3.70
46 LEU HB3 48 VAL QQG 8.26
46 LEU HG 47 ARG HN 6.00
46 LEU QD1 47 ARG HN 7.03
46 LEU QD2 47 ARG HN 7.03
47 ARG HN 47 ARG HB2 3.41
47 ARG HN 47 ARG HB3 3.55
47 ARG HN 47 ARG HG2 4.70
47 ARG HN 47 ARG HG3 4.70
47 ARG HN 47 ARG QG 3.94
47 ARG HN 47 ARG HD3 4.78
47 ARG HN 48 VAL HN 3.08
47 ARG HN 48 VAL QQG 7.54
47 ARG HA 47 ARG HB3 3.01
47 ARG HA 47 ARG HG2 3.30
47 ARG HA 47 ARG HG3 3.30
47 ARG HA 47 ARG QG 2.97
47 ARG HA 47 ARG HD2 6.00
47 ARG HA 47 ARG HD3 6.00
47 ARG HA 48 VAL QQG 8.59
47 ARG HA 50 VAL QG2 6.85
47 ARG HB2 48 VAL HN 4.56
47 ARG HB2 50 VAL QG2 4.22
47 ARG HB3 47 ARG HE 5.32
47 ARG HB3 48 VAL HN 4.63
47 ARG HB3 50 VAL QG2 4.00
47 ARG HG2 48 VAL HN 6.00
47 ARG HG3 48 VAL HN 6.00
47 ARG QG 48 VAL HN 5.58
47 ARG HD3 48 VAL HN 6.00
48 VAL HN 48 VAL HB 4.16
48 VAL HN 48 VAL QG1 4.29
48 VAL HN 48 VAL QG2 4.29
48 VAL HN 48 VAL QQG 3.62
48 VAL HN 49 PRO QD 6.88
48 VAL HA 50 VAL HN 4.27
48 VAL QG1 49 PRO HD2 6.98
48 VAL QG1 49 PRO HD3 6.98
48 VAL QG2 49 PRO HD2 6.98
48 VAL QG2 49 PRO HD3 6.98
48 VAL QQG 49 PRO QD 5.78
48 VAL QQG 50 VAL HN 8.59
49 PRO QB 61 TRP HN 6.88
49 PRO QB 61 TRP HE3 6.66
49 PRO HG2 61 TRP HB2 7.75
49 PRO HG2 61 TRP HB3 7.75
49 PRO HG2 61 TRP HE3 5.57
49 PRO HG3 61 TRP HB2 7.75
49 PRO HG3 61 TRP HB3 7.75
49 PRO HG3 61 TRP HE3 5.57
49 PRO QG 61 TRP QB 6.82
49 PRO QG 61 TRP HE3 5.20
49 PRO QG 61 TRP HE1 6.88
49 PRO QD 50 VAL QG2 7.91
50 VAL HN 50 VAL HB 3.88
50 VAL HN 50 VAL QG2 3.93
50 VAL HN 51 LEU HN 5.75
50 VAL HA 51 LEU HN 2.76
50 VAL HA 51 LEU HB2 5.14
50 VAL HA 51 LEU HB3 6.00
50 VAL HA 60 ASP HA 5.53
50 VAL HA 61 TRP HN 4.56
50 VAL HB 51 LEU HN 5.46
50 VAL QG1 51 LEU HN 3.64
50 VAL QG1 52 ARG HA 6.09
50 VAL QG1 58 GLU HA 6.63
50 VAL QG1 58 GLU HB2 4.62
50 VAL QG1 58 GLU HB3 4.62
50 VAL QG1 58 GLU QB 4.48
50 VAL QG1 58 GLU HG2 7.03
50 VAL QG1 58 GLU HG3 7.03
50 VAL QG1 59 LEU HN 5.44
50 VAL QG2 51 LEU HN 4.87
50 VAL QG2 58 GLU QG 7.91
50 VAL QG2 61 TRP HN 5.23
51 LEU HN 51 LEU HB2 3.26
51 LEU HN 51 LEU HB3 3.34
51 LEU HN 51 LEU HG 4.52
51 LEU HN 51 LEU QQD 5.68
51 LEU HN 52 ARG HN 4.88
51 LEU HN 59 LEU HN 3.52
51 LEU HN 59 LEU QB 5.26
51 LEU HN 60 ASP HA 5.21
51 LEU HN 63 PHE QE 8.12
51 LEU HN 63 PHE HZ 5.28
51 LEU HA 51 LEU QD1 4.54
51 LEU HA 51 LEU QD2 4.54
51 LEU HA 52 ARG HN 2.54
51 LEU HB2 52 ARG HN 4.85
51 LEU HB2 59 LEU QB 4.36
51 LEU HB2 59 LEU QQD 7.91
51 LEU HB2 63 PHE HZ 5.89
51 LEU HB2 71 TRP HZ3 5.24
51 LEU HB2 71 TRP HH2 5.64
51 LEU HB3 51 LEU QD1 3.50
51 LEU HB3 51 LEU QD2 3.50
51 LEU HB3 52 ARG HN 4.81
51 LEU HB3 59 LEU HB2 5.03
51 LEU HB3 59 LEU HB3 5.03
51 LEU HB3 59 LEU QB 4.39
51 LEU HB3 59 LEU QQD 7.55
51 LEU HB3 63 PHE HZ 6.00
51 LEU HB3 71 TRP HZ3 3.52
51 LEU HB3 71 TRP HH2 6.00
51 LEU HG 52 ARG HN 4.31
51 LEU HG 71 TRP HZ3 5.86
51 LEU QD1 52 ARG HN 6.02
51 LEU QD1 59 LEU HN 7.03
51 LEU QD1 59 LEU QD1 11.20
51 LEU QD1 59 LEU QD2 11.20
51 LEU QD1 63 PHE QD 9.15
51 LEU QD1 63 PHE QE 9.08
51 LEU QD1 63 PHE HZ 7.03
51 LEU QD1 68 LEU QD1 7.88
51 LEU QD1 71 TRP HZ3 6.13
51 LEU QD2 52 ARG HN 6.02
51 LEU QD2 59 LEU HN 7.03
51 LEU QD2 59 LEU QD1 11.20
51 LEU QD2 59 LEU QD2 11.20
51 LEU QD2 63 PHE QD 9.15
51 LEU QD2 63 PHE QE 9.08
51 LEU QD2 63 PHE HZ 7.03
51 LEU QD2 68 LEU QD1 7.88
51 LEU QD2 71 TRP HZ3 6.13
51 LEU QQD 52 ARG HN 5.42
51 LEU QQD 59 LEU QQD 9.50
51 LEU QQD 63 PHE QE 8.73
51 LEU QQD 63 PHE HZ 6.69
51 LEU QQD 68 LEU HG 6.94
51 LEU QQD 68 LEU QD1 7.54
51 LEU QQD 68 LEU QD2 7.03
51 LEU QQD 71 TRP HZ3 5.34
52 ARG HN 52 ARG HB2 3.91
52 ARG HN 52 ARG HB3 3.91
52 ARG HN 52 ARG QB 3.74
52 ARG HN 52 ARG HG2 6.00
52 ARG HN 52 ARG HG3 6.00
52 ARG HN 53 ASP HN 5.89
52 ARG HA 52 ARG HD3 6.00
52 ARG HA 53 ASP HN 2.90
52 ARG HA 58 GLU HA 3.30
52 ARG HA 58 GLU HG2 5.46
52 ARG HA 58 GLU HG3 5.46
52 ARG HA 58 GLU QG 4.95
52 ARG HA 59 LEU HN 4.31
52 ARG HA 71 TRP HH2 5.53
52 ARG HB2 52 ARG HD2 4.09
52 ARG HB2 53 ASP HN 4.09
52 ARG HB2 58 GLU HG2 6.31
52 ARG HB2 58 GLU HG3 6.31
52 ARG HB3 52 ARG HD2 4.09
52 ARG HB3 53 ASP HN 4.09
52 ARG HB3 58 GLU HG2 6.31
52 ARG HB3 58 GLU HG3 6.31
52 ARG QB 52 ARG HD2 3.87
52 ARG QB 52 ARG HD3 3.94
52 ARG QB 53 ASP HN 3.85
52 ARG QB 58 GLU QG 5.31
52 ARG HG2 53 ASP HN 4.92
52 ARG HG3 53 ASP HN 4.92
53 ASP HN 53 ASP HB2 3.91
53 ASP HN 53 ASP HB3 3.91
53 ASP HN 53 ASP QB 3.75
53 ASP HN 56 GLY HN 4.96
53 ASP HN 57 ARG HN 4.02
53 ASP HN 58 GLU HA 3.84
53 ASP HN 71 TRP HZ2 4.81
53 ASP HN 71 TRP HH2 3.70
53 ASP HA 54 PRO QG 5.61
53 ASP HA 54 PRO HD2 3.80
53 ASP HA 54 PRO HD3 3.80
53 ASP HA 54 PRO QD 3.38
53 ASP HB2 54 PRO HD2 4.42
53 ASP HB2 54 PRO HD3 4.42
53 ASP HB2 71 TRP HZ2 6.00
53 ASP HB2 71 TRP HH2 6.00
53 ASP HB3 54 PRO HD2 4.42
53 ASP HB3 54 PRO HD3 4.42
53 ASP HB3 71 TRP HZ2 6.00
53 ASP HB3 71 TRP HH2 6.00
53 ASP QB 54 PRO QD 4.06
53 ASP QB 55 MET HN 5.04
53 ASP QB 71 TRP HZ3 6.77
53 ASP QB 71 TRP HZ2 5.52
53 ASP QB 71 TRP HH2 5.38
54 PRO HB2 55 MET HN 4.42
54 PRO HB3 55 MET HN 4.42
54 PRO QB 55 MET HN 4.22
54 PRO QG 55 MET HN 5.07
54 PRO QG 56 GLY HN 6.88
54 PRO HD2 55 MET HN 4.52
54 PRO HD3 55 MET HN 4.52
54 PRO QD 55 MET HN 4.27
54 PRO QD 56 GLY QA 7.32
55 MET HN 55 MET HB2 3.70
55 MET HN 55 MET HB3 3.70
55 MET HN 55 MET QB 3.29
55 MET HN 55 MET HG2 3.88
55 MET HN 55 MET HG3 3.88
55 MET HN 55 MET QG 3.55
55 MET HN 55 MET QE 6.52
55 MET HN 56 GLY HN 2.76
55 MET HN 57 ARG HN 4.34
55 MET HA 55 MET QE 5.44
55 MET HB2 56 GLY HN 4.31
55 MET HB3 56 GLY HN 4.31
55 MET QB 57 ARG HN 6.16
55 MET HG2 56 GLY HN 6.00
55 MET HG3 56 GLY HN 6.00
55 MET QG 56 GLY HN 5.37
55 MET QG 57 ARG HN 6.52
55 MET QG 75 ALA QB 7.91
55 MET QE 56 GLY HN 7.03
55 MET QE 75 ALA QB 6.58
56 GLY HN 57 ARG HN 3.70
56 GLY HN 57 ARG QG 5.19
57 ARG HN 57 ARG HB2 4.06
57 ARG HN 57 ARG HB3 4.06
57 ARG HN 57 ARG HG2 3.55
57 ARG HN 57 ARG HG3 3.55
57 ARG HN 57 ARG QG 3.24
57 ARG HN 57 ARG HD2 6.00
57 ARG HN 57 ARG HD3 6.00
57 ARG HN 58 GLU HN 4.49
57 ARG HA 57 ARG HD2 6.00
57 ARG HA 57 ARG HD3 6.00
57 ARG HA 58 GLU HN 2.80
57 ARG HB2 58 GLU HN 3.59
57 ARG HB2 71 TRP HZ2 4.31
57 ARG HB3 58 GLU HN 3.59
57 ARG HB3 71 TRP HZ2 4.31
57 ARG QB 58 GLU HN 3.40
57 ARG QB 71 TRP HE1 4.29
57 ARG QB 71 TRP HZ2 3.90
57 ARG HG2 58 GLU HN 5.35
57 ARG HG3 58 GLU HN 5.35
57 ARG QG 58 GLU HN 5.17
57 ARG QD 71 TRP HE1 5.98
58 GLU HN 58 GLU HB2 3.73
58 GLU HN 58 GLU HB3 3.73
58 GLU HN 58 GLU QB 3.52
58 GLU HN 58 GLU HG2 3.91
58 GLU HN 58 GLU HG3 3.91
58 GLU HN 58 GLU QG 3.63
58 GLU HN 59 LEU HN 4.45
58 GLU HN 71 TRP HZ2 4.34
58 GLU HA 58 GLU HG2 4.27
58 GLU HA 58 GLU HG3 4.27
58 GLU HA 59 LEU HN 2.76
58 GLU HA 71 TRP HZ2 4.09
58 GLU HB2 59 LEU HN 4.13
58 GLU HB3 59 LEU HN 4.13
58 GLU QB 59 LEU HN 3.84
58 GLU QB 71 TRP HZ2 6.23
58 GLU HG2 59 LEU HN 5.75
58 GLU HG3 59 LEU HN 5.75
58 GLU QG 59 LEU HN 5.26
59 LEU HN 59 LEU HB2 3.70
59 LEU HN 59 LEU HB3 3.70
59 LEU HN 59 LEU QB 3.52
59 LEU HN 59 LEU HG 5.35
59 LEU HN 59 LEU QQD 6.09
59 LEU HN 60 ASP HN 4.63
59 LEU HN 71 TRP HZ2 4.02
59 LEU HA 60 ASP HN 2.65
59 LEU HA 60 ASP HA 4.88
59 LEU HB2 60 ASP HN 4.45
59 LEU HB3 60 ASP HN 4.45
59 LEU QB 60 ASP HN 4.22
59 LEU QB 71 TRP HE1 6.88
59 LEU HG 60 ASP HN 3.88
59 LEU HG 63 PHE QD 6.75
59 LEU QD1 63 PHE HB2 7.03
59 LEU QD1 63 PHE HB3 7.03
59 LEU QD1 63 PHE QD 8.29
59 LEU QD1 67 ARG HG2 7.03
59 LEU QD1 67 ARG HG3 7.03
59 LEU QD1 67 ARG HD2 10.17
59 LEU QD1 67 ARG HD3 10.17
59 LEU QD1 71 TRP HN 6.74
59 LEU QD1 71 TRP HB2 6.16
59 LEU QD1 71 TRP HB3 6.42
59 LEU QD1 71 TRP HD1 6.24
59 LEU QD1 71 TRP HE3 5.55
59 LEU QD2 63 PHE HB2 7.03
59 LEU QD2 63 PHE HB3 7.03
59 LEU QD2 63 PHE QD 8.29
59 LEU QD2 67 ARG HG2 7.03
59 LEU QD2 67 ARG HG3 7.03
59 LEU QD2 67 ARG HD2 10.17
59 LEU QD2 67 ARG HD3 10.17
59 LEU QD2 71 TRP HN 6.74
59 LEU QD2 71 TRP HB2 6.16
59 LEU QD2 71 TRP HB3 6.42
59 LEU QD2 71 TRP HD1 6.24
59 LEU QD2 71 TRP HE3 5.55
59 LEU QQD 60 ASP HN 5.00
59 LEU QQD 63 PHE QB 6.09
59 LEU QQD 63 PHE QD 7.99
59 LEU QQD 64 ASP HN 7.09
59 LEU QQD 67 ARG QG 5.92
59 LEU QQD 67 ARG QD 8.10
59 LEU QQD 68 LEU HA 8.60
59 LEU QQD 71 TRP HN 5.62
59 LEU QQD 71 TRP HB2 5.15
59 LEU QQD 71 TRP HD1 5.21
59 LEU QQD 71 TRP HE3 5.01
59 LEU QQD 71 TRP HE1 5.83
60 ASP HN 60 ASP HB2 3.44
60 ASP HN 60 ASP HB3 3.44
60 ASP HN 60 ASP QB 3.10
60 ASP HN 61 TRP HN 5.82
60 ASP HA 61 TRP HN 2.69
60 ASP HB2 61 TRP HN 4.60
60 ASP HB3 61 TRP HN 4.60
60 ASP QB 61 TRP HN 4.32
60 ASP QB 63 PHE QD 9.00
61 TRP HN 61 TRP HB2 3.23
61 TRP HN 61 TRP HB3 3.23
61 TRP HN 61 TRP QB 2.98
61 TRP HN 61 TRP HD1 6.00
61 TRP HN 63 PHE QD 8.12
61 TRP HA 61 TRP HE3 5.03
61 TRP HA 63 PHE QD 5.89
61 TRP HA 63 PHE QE 7.98
61 TRP HZ3 63 PHE QE 8.12
63 PHE HN 63 PHE HB2 3.84
63 PHE HN 63 PHE HB3 3.84
63 PHE HN 63 PHE QB 3.52
63 PHE HN 64 ASP HN 4.60
63 PHE HA 64 ASP HN 3.05
63 PHE HA 67 ARG HB2 4.49
63 PHE HA 67 ARG HB3 4.49
63 PHE HA 67 ARG HD2 5.06
63 PHE HA 67 ARG HD3 5.06
63 PHE HA 67 ARG QD 4.77
63 PHE HB2 64 ASP HN 3.77
63 PHE HB2 67 ARG HB2 6.99
63 PHE HB2 67 ARG HB3 6.99
63 PHE HB2 67 ARG HD2 6.00
63 PHE HB2 67 ARG HD3 6.00
63 PHE HB3 64 ASP HN 3.77
63 PHE HB3 67 ARG HB2 6.99
63 PHE HB3 67 ARG HB3 6.99
63 PHE HB3 67 ARG HD2 6.00
63 PHE HB3 67 ARG HD3 6.00
63 PHE QB 64 ASP HN 3.43
63 PHE QB 67 ARG QB 5.96
63 PHE QB 67 ARG QG 7.61
63 PHE QB 67 ARG QD 5.62
63 PHE QB 68 LEU HN 5.37
63 PHE QB 68 LEU QB 7.75
63 PHE QD 64 ASP HN 6.79
63 PHE QD 67 ARG HD2 8.12
63 PHE QD 67 ARG HD3 8.12
63 PHE QD 68 LEU HN 8.12
63 PHE QD 68 LEU QB 8.86
63 PHE QD 68 LEU QD2 7.39
63 PHE QE 68 LEU QD2 7.82
63 PHE HZ 68 LEU QD2 7.03
64 ASP HN 64 ASP QB 3.79
64 ASP HN 65 ALA HN 5.71
64 ASP HN 66 PRO QD 6.23
64 ASP HN 67 ARG HN 3.66
64 ASP HN 67 ARG HA 4.81
64 ASP HN 67 ARG HB2 3.52
64 ASP HN 67 ARG HB3 3.52
64 ASP HN 67 ARG HG2 6.00
64 ASP HN 67 ARG HG3 6.00
64 ASP HN 67 ARG QG 5.35
64 ASP HN 67 ARG HD2 5.03
64 ASP HN 67 ARG HD3 5.03
64 ASP HN 67 ARG QD 4.52
64 ASP HN 68 LEU HN 4.20
64 ASP HA 65 ALA HN 2.90
64 ASP HA 65 ALA QB 5.66
64 ASP HA 66 PRO QD 6.63
64 ASP HB2 65 ALA HN 3.19
64 ASP HB2 66 PRO HD2 6.13
64 ASP HB2 66 PRO HD3 6.13
64 ASP HB3 65 ALA HN 3.19
64 ASP HB3 66 PRO HD2 6.13
64 ASP HB3 66 PRO HD3 6.13
64 ASP QB 65 ALA HN 2.82
64 ASP QB 65 ALA QB 5.93
64 ASP QB 66 PRO QD 5.28
64 ASP QB 67 ARG QB 6.31
64 ASP QB 67 ARG QG 7.75
65 ALA HN 65 ALA QB 3.43
65 ALA HN 66 PRO HG2 4.56
65 ALA HN 66 PRO HG3 4.56
65 ALA HN 66 PRO HD2 3.62
65 ALA HN 66 PRO HD3 3.62
65 ALA HN 66 PRO QD 3.02
65 ALA HA 67 ARG HN 5.46
65 ALA HA 68 LEU HN 3.55
65 ALA HA 68 LEU HB2 3.88
65 ALA HA 68 LEU HB3 3.88
65 ALA HA 68 LEU QB 3.60
65 ALA HA 68 LEU QD2 5.01
65 ALA HA 69 ARG HN 4.45
65 ALA QB 66 PRO HB2 7.03
65 ALA QB 66 PRO HB3 7.03
65 ALA QB 66 PRO QB 6.62
65 ALA QB 66 PRO HG2 6.42
65 ALA QB 66 PRO HG3 6.42
65 ALA QB 66 PRO QG 6.11
65 ALA QB 66 PRO QD 4.11
65 ALA QB 68 LEU QD2 8.06
66 PRO HA 68 LEU HN 4.31
66 PRO HA 69 ARG HN 3.70
66 PRO HA 69 ARG HG2 5.93
66 PRO HA 69 ARG HG3 5.93
66 PRO HA 69 ARG QG 5.43
66 PRO HB2 67 ARG HN 4.45
66 PRO HB3 67 ARG HN 4.45
66 PRO QB 67 ARG HN 4.22
66 PRO QB 70 ALA QB 7.80
66 PRO HG2 67 ARG HN 4.67
66 PRO HG3 67 ARG HN 4.67
66 PRO QG 67 ARG HN 4.42
66 PRO HD2 67 ARG HN 4.31
66 PRO HD3 67 ARG HN 4.31
66 PRO QD 67 ARG HN 4.04
67 ARG HN 67 ARG HB2 3.55
67 ARG HN 67 ARG HB3 3.55
67 ARG HN 67 ARG QB 3.24
67 ARG HN 67 ARG HG2 4.96
67 ARG HN 67 ARG HG3 4.96
67 ARG HN 67 ARG QG 4.29
67 ARG HN 67 ARG HD2 6.00
67 ARG HN 67 ARG HD3 6.00
67 ARG HN 67 ARG QD 5.88
67 ARG HN 68 LEU HN 3.05
67 ARG HN 69 ARG HN 4.67
67 ARG HN 70 ALA QB 6.63
67 ARG HA 67 ARG HB2 3.01
67 ARG HA 67 ARG HB3 3.01
67 ARG HA 67 ARG HG2 4.09
67 ARG HA 67 ARG HG3 4.09
67 ARG HA 67 ARG QG 3.81
67 ARG HA 67 ARG HD2 4.99
67 ARG HA 67 ARG HD3 4.99
67 ARG HA 69 ARG HN 4.49
67 ARG HA 70 ALA HN 3.66
67 ARG HA 70 ALA QB 3.75
67 ARG HB2 68 LEU HN 3.73
67 ARG HB3 68 LEU HN 3.73
67 ARG QB 68 LEU HA 5.19
67 ARG HG2 68 LEU HN 5.75
67 ARG HG3 68 LEU HN 5.75
67 ARG QG 68 LEU HN 5.50
67 ARG QG 71 TRP HB2 5.44
68 LEU HN 68 LEU HB2 3.34
68 LEU HN 68 LEU HB3 3.34
68 LEU HN 68 LEU QB 2.95
68 LEU HN 68 LEU HG 4.81
68 LEU HN 68 LEU QD2 5.08
68 LEU HN 69 ARG HN 3.16
68 LEU HN 70 ALA HN 4.27
68 LEU HN 70 ALA QB 7.03
68 LEU HA 68 LEU QD1 4.54
68 LEU HA 68 LEU QD2 4.44
68 LEU HA 71 TRP HN 3.70
68 LEU HA 71 TRP HB2 3.59
68 LEU HA 71 TRP HB3 3.44
68 LEU HA 71 TRP HE3 5.86
68 LEU HA 72 LEU HN 4.81
68 LEU HB2 69 ARG HN 4.27
68 LEU HB3 69 ARG HN 4.27
68 LEU QB 69 ARG HN 4.11
68 LEU HG 69 ARG HN 5.06
68 LEU HG 72 LEU QQD 7.34
68 LEU QD1 69 ARG HN 7.03
68 LEU QD2 69 ARG HN 5.70
68 LEU QD2 69 ARG HA 6.27
68 LEU QD2 71 TRP HN 7.03
68 LEU QD2 71 TRP HB3 7.03
68 LEU QD2 71 TRP HE3 6.16
68 LEU QD2 71 TRP HZ3 6.06
68 LEU QD2 72 LEU HN 6.74
68 LEU QD2 72 LEU HB2 7.03
68 LEU QD2 72 LEU HG 5.26
68 LEU QD2 72 LEU QD1 7.05
68 LEU QD2 72 LEU QD2 7.05
68 LEU QD2 72 LEU QQD 6.46
69 ARG HN 69 ARG HB2 3.08
69 ARG HN 69 ARG HB3 3.08
69 ARG HN 69 ARG HG2 4.74
69 ARG HN 69 ARG HG3 4.74
69 ARG HN 69 ARG QG 4.57
69 ARG HN 69 ARG HD2 6.00
69 ARG HN 69 ARG HD3 6.00
69 ARG HN 69 ARG QD 5.15
69 ARG HN 70 ALA HN 3.05
69 ARG HN 70 ALA QB 5.91
69 ARG HA 69 ARG HD2 4.13
69 ARG HA 69 ARG HD3 4.13
69 ARG HA 69 ARG QD 3.87
69 ARG HA 72 LEU HN 4.63
69 ARG HA 72 LEU HA 5.24
69 ARG HA 72 LEU HB2 4.06
69 ARG HA 72 LEU HB3 4.52
69 ARG HA 72 LEU QD1 5.19
69 ARG HA 72 LEU QD2 5.19
69 ARG HA 72 LEU QQD 4.38
69 ARG HA 73 ASP HN 4.60
69 ARG HB2 70 ALA HN 3.84
69 ARG HB3 70 ALA HN 3.84
69 ARG QB 70 ALA HN 3.61
69 ARG HG2 70 ALA HN 5.46
69 ARG HG3 70 ALA HN 5.46
69 ARG QG 70 ALA HN 4.82
69 ARG QD 70 ALA HN 5.51
69 ARG QD 72 LEU QQD 9.48
70 ALA HN 70 ALA QB 3.43
70 ALA HN 71 TRP HN 3.01
70 ALA HA 73 ASP HN 3.91
70 ALA HA 73 ASP QB 4.22
70 ALA QB 71 TRP HN 3.57
70 ALA QB 71 TRP HB2 6.99
70 ALA QB 71 TRP HB3 6.45
70 ALA QB 72 LEU HN 7.03
70 ALA QB 73 ASP QB 7.01
70 ALA QB 74 ALA HN 6.81
71 TRP HN 71 TRP HB2 2.76
71 TRP HN 71 TRP HB3 3.05
71 TRP HN 71 TRP HE3 4.38
71 TRP HN 72 LEU HN 3.08
71 TRP HA 71 TRP HB2 2.76
71 TRP HA 71 TRP HD1 5.75
71 TRP HA 74 ALA HN 3.59
71 TRP HB2 72 LEU HN 4.27
71 TRP HB3 71 TRP HE3 4.06
71 TRP HB3 71 TRP HZ3 6.00
71 TRP HB3 72 LEU HN 3.80
71 TRP HE3 72 LEU HN 3.26
71 TRP HE3 72 LEU HA 4.38
71 TRP HE3 72 LEU HG 4.92
71 TRP HE3 72 LEU QD1 5.34
71 TRP HE3 72 LEU QD2 5.34
71 TRP HE3 72 LEU QQD 4.62
71 TRP HZ3 72 LEU QQD 6.47
71 TRP HZ2 72 LEU QQD 8.60
72 LEU HN 72 LEU HB2 3.26
72 LEU HN 72 LEU HB3 3.59
72 LEU HN 72 LEU HG 3.73
72 LEU HN 72 LEU QD1 4.72
72 LEU HN 72 LEU QD2 4.72
72 LEU HN 72 LEU QQD 4.19
72 LEU HN 73 ASP HN 3.23
72 LEU HN 74 ALA HN 4.85
72 LEU HA 72 LEU HG 3.88
72 LEU HA 72 LEU QD1 4.65
72 LEU HA 72 LEU QD2 4.65
72 LEU HA 72 LEU QQD 3.92
72 LEU HA 74 ALA HN 5.32
72 LEU HA 75 ALA HN 3.98
72 LEU HB2 73 ASP HN 4.02
72 LEU HB2 74 ALA HN 4.92
72 LEU HB3 73 ASP HN 3.52
72 LEU HG 73 ASP HN 4.96
72 LEU QD1 73 ASP HN 6.09
72 LEU QD2 73 ASP HN 6.09
72 LEU QQD 73 ASP HN 5.44
73 ASP HN 73 ASP HB2 3.59
73 ASP HN 73 ASP HB3 3.59
73 ASP HN 73 ASP QB 3.43
73 ASP HN 74 ALA HN 3.26
73 ASP HN 75 ALA HN 4.20
73 ASP HA 74 ALA HN 3.62
73 ASP HA 75 ALA HN 3.77
73 ASP HB2 74 ALA HN 3.84
73 ASP HB3 74 ALA HN 3.84
73 ASP QB 74 ALA HN 3.58
74 ALA HN 74 ALA QB 3.43
74 ALA HN 75 ALA HN 3.12
74 ALA HA 75 ALA HN 3.52
74 ALA HA 75 ALA QB 5.77
74 ALA QB 75 ALA HN 3.68
75 ALA HN 75 ALA QB 3.43
75 ALA HN 76 PRO QD 6.88
75 ALA QB 76 PRO HD2 4.83
75 ALA QB 76 PRO HD3 4.83
76 PRO HA 77 HIS HN 2.76
76 PRO HB2 77 HIS HN 3.88
76 PRO HB3 77 HIS HN 3.88
76 PRO HG2 77 HIS HN 5.32
76 PRO HG3 77 HIS HN 5.32
76 PRO QG 77 HIS HN 4.84
76 PRO QD 77 HIS HN 5.55
77 HIS HN 77 HIS HB2 3.77
77 HIS HN 77 HIS HB3 3.77
77 HIS HN 77 HIS QB 3.52
77 HIS HN 77 HIS HD2 4.99
77 HIS HN 78 ALA HN 4.78
77 HIS HN 78 ALA QB 5.55
77 HIS HA 77 HIS HB2 2.98
77 HIS HA 77 HIS HB3 2.98
77 HIS HA 77 HIS HD2 6.00
77 HIS HB2 78 ALA HN 4.31
77 HIS HB3 78 ALA HN 4.31
78 ALA HN 78 ALA QB 3.43
list of removed NOE constraints
22-> LEU A 3 HA - LEU A 3 QD1 0.00 6.56 # NoRestrctn I [2.11 5.99] -- intra
23-> LEU A 3 HA - LEU A 3 QD2 0.00 6.56 # NoRestrctn I [2.11 5.99] -- intra
271-> LEU A 13 HN - LEU A 13 QD2 0.00 7.03 # NoRestrctn I [2.29 6.01] -- intra
274-> LEU A 13 HA - LEU A 13 QD2 0.00 6.31 # NoRestrctn I [2.11 5.99] -- intra
389-> VAL A 18 HN - GLU A 19 HA 0.00 6.00 # NoRestrctn S [2.00 3.99] -- sequential
390-> VAL A 18 HN - GLU A 19 QB 0.00 6.88 # NoRestrctn S [2.00 6.01] -- sequential
524-> ALA A 22 QB - GLN A 23 HA 0.00 7.03 # NoRestrctn S [2.00 6.01] -- sequential
535-> GLN A 23 HN - ALA A 24 QB 0.00 6.27 # NoRestrctn S [2.00 6.01] -- sequential
622-> GLY A 27 HN - ALA A 28 HA 0.00 5.28 # NoRestrctn S [2.00 3.99] -- sequential
623-> GLY A 27 HN - ALA A 28 QB 0.00 7.03 # NoRestrctn S [2.00 6.01] -- sequential
877-> SER A 42 HA - ALA A 43 QB 0.00 7.03 # NoRestrctn S [2.00 6.01] -- sequential
892-> ALA A 43 QB - TYR A 44 QD 0.00 7.22 # NoRestrctn S [2.00 5.99] -- sequential
962-> ARG A 47 HN - VAL A 48 HA 0.00 5.35 # NoRestrctn S [2.00 3.99] -- sequential
1029-> LEU A 51 HN - LEU A 51 QD1 0.00 6.16 # NoRestrctn I [2.29 6.01] -- intra
1030-> LEU A 51 HN - LEU A 51 QD2 0.00 6.16 # NoRestrctn I [2.29 6.01] -- intra
1155-> MET A 55 HN - GLY A 56 HA1 0.00 5.82 # NoRestrctn S [2.00 3.99] -- sequential
1156-> MET A 55 HN - GLY A 56 HA2 0.00 5.82 # NoRestrctn S [2.00 3.99] -- sequential
1157-> MET A 55 HN - GLY A 56 QA 0.00 5.28 # NoRestrctn S [2.00 3.55] -- sequential
1217-> LEU A 59 HN - LEU A 59 QD1 0.00 7.03 # NoRestrctn I [2.29 6.01] -- intra
1218-> LEU A 59 HN - LEU A 59 QD2 0.00 7.03 # NoRestrctn I [2.29 6.01] -- intra
1415-> LEU A 68 HN - LEU A 68 QD1 0.00 6.06 # NoRestrctn I [2.29 6.01] -- intra
1418-> LEU A 68 HN - ARG A 69 HA 0.00 4.92 # NoRestrctn S [2.00 3.99] -- sequential
1530-> ASP A 73 HA - ASP A 73 HB2 0.00 3.05 # NoRestrctn I [2.22 3.02] -- intra
1531-> ASP A 73 HA - ASP A 73 HB3 0.00 3.05 # NoRestrctn I [2.22 3.02] -- intra
1539-> ALA A 74 HN - ALA A 75 QB 0.00 7.03 # NoRestrctn S [2.00 6.01] -- sequential
====== TOTAL ======: 25
table of distance constraints violations
Residual Violations greater than 0.10
420-> GLU A 19 HN - GLU A 19 HG2 [ 0.00 4.42] 0.00 0.12 0.00 0.11 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.12 0.11 - 6 [ 0.11 .. 0.12]
531-> GLN A 23 HN - GLN A 23 HB3 [ 0.00 3.41] 0.09 0.08 0.10 0.10 0.12 0.10 0.08 0.08 0.08 0.10 0.08 0.08 0.10 0.10 0.08 0.07 0.09 0.09 0.08 0.08 - 20 [ 0.07 .. 0.12]
654-> SER A 31 HN - SER A 31 HB2 [ 0.00 3.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.13]
1028-> LEU A 51 HN - LEU A 51 HG [ 0.00 4.52] 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.06 0.06 0.00 - 5 [ 0.06 .. 0.11]
1179-> ARG A 57 HN - GLU A 58 HN [ 0.00 4.49] 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.13 - 3 [ 0.09 .. 0.13]
1195-> GLU A 58 HN - GLU A 58 HB3 [ 0.00 3.73] 0.03 0.00 0.00 0.00 0.06 0.08 0.03 0.00 0.03 0.00 0.00 0.07 0.00 0.01 0.11 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.01 .. 0.11]
-------------------------------------------
Number of Violations greater than 0.10 0 1 0 1 1 0 0 1 0 0 0 0 1 2 2 1 0 0 1 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: 0 1 0 1 1 0 0 1 0 0 0 0 1 2 2 1 0 0 1 2 0.65
0.2 - 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
> 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 47 46 41 36 51 50 42 48 50 49 52 49 38 48 48 53 49 58 52 58 48.25
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 0.088 0.117 0.097 0.114 0.115 0.096 0.089 0.118 0.079 0.097 0.082 0.082 0.114 0.107 0.126 0.126 0.086 0.089 0.118 0.127 0.127
Max Intra Viol : 0.088 0.117 0.097 0.114 0.115 0.096 0.089 0.118 0.079 0.097 0.082 0.082 0.114 0.107 0.126 0.072 0.086 0.089 0.118 0.115 0.126
Max Seque Viol : 0.052 0.092 0.076 0.037 0.048 0.049 0.052 0.067 0.053 0.051 0.052 0.060 0.059 0.060 0.052 0.126 0.059 0.049 0.052 0.127 0.127
Max Medium Viol : 0.052 0.036 0.078 0.028 0.032 0.049 0.040 0.051 0.037 0.063 0.049 0.031 0.031 0.051 0.051 0.037 0.056 0.032 0.059 0.050 0.078
Max Long Viol : 0.016 0.013 0.016 0.007 0.022 0.010 0.013 0.022 0.020 0.059 0.009 0.010 0.010 0.018 0.019 0.028 0.019 0.040 0.023 0.017 0.059
Average Violation : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.00070
Avge Intra Viol : 0.001 0.002 0.001 0.002 0.002 0.001 0.001 0.002 0.002 0.001 0.001 0.001 0.002 0.002 0.003 0.001 0.002 0.002 0.002 0.002 0.00170
Avge Seque Viol : 0.000 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 0.000 0.000 0.001 0.000 0.001 0.00041
Avge Mediu Viol : 0.001 0.001 0.001 0.000 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.001 0.001 0.002 0.00093
Avge Long Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.00011
RMS Violation : 0.005 0.006 0.005 0.005 0.005 0.005 0.005 0.006 0.005 0.005 0.005 0.005 0.006 0.006 0.007 0.006 0.005 0.005 0.006 0.008 0.00563
RMS Intra : 0.008 0.010 0.009 0.011 0.010 0.009 0.008 0.012 0.009 0.008 0.007 0.008 0.011 0.010 0.013 0.007 0.009 0.009 0.012 0.012 0.00978
RMS Sequential : 0.004 0.002 0.004 0.002 0.002 0.003 0.003 0.004 0.003 0.004 0.004 0.002 0.002 0.004 0.003 0.003 0.003 0.003 0.004 0.004 0.00330
RMS Medium range : 0.004 0.008 0.006 0.003 0.004 0.005 0.006 0.006 0.005 0.004 0.006 0.007 0.005 0.005 0.006 0.011 0.005 0.005 0.004 0.011 0.00612
RMS Long range : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.003 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.002 0.001 0.001 0.00135
Final --global-- Summary for 20 models, 1565 NOEs/model, 31300 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 21.940
Summ sq. viol : 0.992
Maximum viol : 0.127
Average viol : 0.00070
RMSD viol : 0.00563
Std. Dev. viol : 0.00559
RMS Intra : 0.00978
RMS Seque : 0.00330
RMS Medi : 0.00612
RMS Long : 0.00135
table of dihedral angle constraints violations
211-> [LEU A 72] PHI -73.0 -53.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.4]
219-> [ASP A 73] PSI -61.0 -7.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 1.0 - 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 : 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0.10
> 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 5 9 8 4 4 5 9 10 7 5 5 6 6 7 6 8 9 9 9 7 6.90
Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Maximum Violation : 0.4 0.3 0.9 0.4 0.7 0.2 0.4 1.4 0.8 0.4 0.3 0.4 0.3 0.4 0.8 0.3 0.4 0.6 0.4 1.0 1.39
Max PHI Viol : 0.4 0.2 0.9 0.4 0.4 0.2 0.4 1.4 0.5 0.3 0.3 0.4 0.3 0.4 0.7 0.3 0.4 0.4 0.4 0.4 1.39
Max PSI Viol : 0.1 0.3 0.9 0.1 0.7 0.1 0.2 0.7 0.8 0.4 0.2 0.0 0.2 0.1 0.8 0.0 0.4 0.6 0.4 1.0 1.04
Max CHI1 Viol : 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
Max CHI2 Viol : 0.0 0.2 0.0 0.2 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.2 0.2 0.26
Average Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.007
Avge PHI Viol : 0.077 0.094 0.127 0.073 0.097 0.067 0.109 0.182 0.124 0.075 0.075 0.099 0.079 0.082 0.124 0.118 0.112 0.095 0.110 0.097 0.104
Avge PSI Viol : 0.044 0.073 0.112 0.029 0.099 0.043 0.078 0.096 0.113 0.093 0.052 0.018 0.073 0.069 0.101 0.035 0.099 0.124 0.096 0.138 0.086
Avge CHI1 Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Avge CHI2 Viol : 0.000 0.086 0.000 0.087 0.000 0.000 0.000 0.096 0.000 0.000 0.000 0.000 0.088 0.000 0.000 0.000 0.000 0.000 0.091 0.088 0.049
RMS Violation : 0.031 0.034 0.085 0.033 0.059 0.018 0.039 0.112 0.071 0.040 0.022 0.032 0.032 0.031 0.074 0.036 0.047 0.055 0.051 0.081 0.055
RMS PHI Viol : 0.048 0.037 0.104 0.049 0.055 0.028 0.057 0.170 0.079 0.040 0.033 0.053 0.036 0.046 0.091 0.060 0.059 0.052 0.060 0.059 0.068
RMS PSI Viol : 0.017 0.037 0.102 0.007 0.085 0.012 0.033 0.076 0.092 0.055 0.019 0.003 0.033 0.023 0.088 0.007 0.054 0.079 0.058 0.126 0.062
RMS CHI1 Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
RMS CHI2 Viol : 0.000 0.039 0.000 0.040 0.000 0.000 0.000 0.049 0.000 0.000 0.000 0.000 0.041 0.000 0.000 0.000 0.000 0.000 0.044 0.041 0.023
Final --global-- Summary for 20 models, 231 ACOs/model, 4620 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 30.36
Summ. Sq. Viol. : 13.74
Max. Viol. : 1.389
Avg. Viol. : 0.00657
RMS Viol. : 0.05453
Std. Dev. Viol. : 0.05413
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 0.191 0.392 0.652 0.734
ALA A 2 0.853 0.905 2
LEU A 3 0.936 0.999 0.917 0.973 3 3
THR A 4 0.995 0.993 0.993 4 4
LEU A 5 0.997 0.994 0.999 0.998 5 5
TYR A 6 0.995 0.999 0.994 0.988 6 6
GLN A 7 0.970 0.985 0.920 0.829 0.471 7 7
ARG A 8 0.950 0.769 0.449 0.618 0.679 0.519 1.000
ASP A 9 0.626 0.419 0.776 0.581
ASP A 10 0.501 0.916 0.764 0.623
CYS A 11 0.913 0.551 0.230
HIS A 12 0.584 0.978 0.777 0.376
LEU A 13 0.983 0.997 0.973 0.933 13 13
CYS A 14 0.994 0.993 0.271 14 14
ASP A 15 0.998 0.994 0.729 0.741 15 15
GLN A 16 0.998 0.997 0.998 0.988 0.958 16 16
ALA A 17 0.997 0.999 17 17
VAL A 18 0.999 1.000 0.997 18 18
GLU A 19 1.000 1.000 0.999 0.666 0.481 19 19
ALA A 20 1.000 1.000 20 20
LEU A 21 0.999 1.000 0.999 0.989 21 21
ALA A 22 0.999 1.000 22 22
GLN A 23 1.000 0.998 0.999 1.000 0.805 23 23
ALA A 24 0.998 0.997 24 24
ARG A 25 0.997 1.000 0.989 0.892 0.991 0.535 1.000 25 25
ALA A 26 0.999 0.993 26 26
GLY A 27 0.992 0.999 27 27
ALA A 28 0.998 1.000 28 28
PHE A 29 0.998 0.999 0.999 0.994 29 29
PHE A 30 0.997 0.994 0.993 0.563 30 30
SER A 31 0.988 0.992 0.549 31 31
VAL A 32 0.991 0.998 0.998 32 32
PHE A 33 0.996 0.997 0.997 0.603 33 33
ILE A 34 0.996 0.997 1.000 0.994 34 34
ASP A 35 0.983 0.809 0.586 0.670 35
ASP A 36 0.687 0.738 0.786 0.834
ASP A 37 0.710 0.994 0.905 0.616
ALA A 38 0.993 0.999 38 38
ALA A 39 0.999 0.999 39 39
LEU A 40 0.999 0.999 0.999 0.994 40 40
GLU A 41 0.999 1.000 0.999 0.971 0.851 41 41
SER A 42 1.000 1.000 1.000 42 42
ALA A 43 0.999 0.999 43 43
TYR A 44 0.998 0.999 0.996 0.990 44 44
GLY A 45 0.998 0.995 45 45
LEU A 46 0.991 0.998 0.985 0.998 46 46
ARG A 47 1.000 1.000 0.996 0.996 0.991 0.401 1.000 47 47
VAL A 48 0.998 1.000 0.957 48 48
PRO A 49 1.000 0.997 1.000 1.000 49 49
VAL A 50 0.998 0.998 0.999 50 50
LEU A 51 0.994 0.995 0.954 0.510 51 51
ARG A 52 0.990 0.991 0.519 0.782 0.659 0.628 1.000 52 52
ASP A 53 0.992 0.998 0.454 0.395 53 53
PRO A 54 1.000 0.985 1.000 1.000 54 54
MET A 55 0.928 0.988 0.701 0.382 0.346 55 55
GLY A 56 0.697 0.933
ARG A 57 0.734 0.980 0.946 0.979 0.612 0.615 1.000
GLU A 58 0.983 0.984 0.605 0.351 0.617 58 58
LEU A 59 0.986 1.000 0.983 0.839 59 59
ASP A 60 0.998 0.988 0.609 0.717 60 60
TRP A 61 0.989 1.000 1.000 1.000 61 61
PRO A 62 1.000 0.997 1.000 1.000 62 62
PHE A 63 0.997 0.996 1.000 0.999 63 63
ASP A 64 0.994 0.999 1.000 0.926 64 64
ALA A 65 0.999 1.000 65 65
PRO A 66 1.000 1.000 1.000 1.000 66 66
ARG A 67 1.000 1.000 1.000 0.994 0.994 0.655 1.000 67 67
LEU A 68 1.000 1.000 1.000 0.998 68 68
ARG A 69 0.999 1.000 0.982 0.486 0.796 0.453 1.000 69 69
ALA A 70 1.000 1.000 70 70
TRP A 71 0.999 0.999 0.999 0.999 71 71
LEU A 72 0.997 0.998 0.992 0.832 72 72
ASP A 73 0.990 0.972 0.907 0.701 73 73
ALA A 74 0.934 0.995 74 74
ALA A 75 0.461 0.218
PRO A 76 1.000 0.992 1.000 1.000 76 76
HIS A 77 0.528 0.108 0.577 0.457
ALA A 78 0.505
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 `XCR50_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 1 is: 0.243
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 2 is: 0.560
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 3 is: 0.305
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 4 is: 0.410
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 5 is: 0.319
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 6 is: 0.327
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 7 is: 0.348
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 8 is: 0.365
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 9 is: 0.414
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 10 is: 0.252
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 11 is: 0.449
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 12 is: 0.515
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 13 is: 0.377
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 14 is: 0.489
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 15 is: 0.586
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 16 is: 0.579
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 17 is: 0.335
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 18 is: 0.236 (*)
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 19 is: 0.366
> Kabsch RMSD of backbone atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 20 is: 0.560
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[3..7],[13..34],[38..55],[58..74], is: 0.402
> Range of RMSD values to reference struct. is 0.236 to 0.586
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 1 is: 0.617
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 2 is: 0.769
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 3 is: 0.592 (*)
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 4 is: 0.751
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 5 is: 0.632
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 6 is: 0.727
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 7 is: 0.669
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 8 is: 0.691
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 9 is: 0.714
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 10 is: 0.596
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 11 is: 0.677
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 12 is: 0.783
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 13 is: 0.635
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 14 is: 0.711
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 15 is: 0.957
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 16 is: 0.855
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 17 is: 0.643
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 18 is: 0.643
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 19 is: 0.870
> Kabsch RMSD of heavy atoms in res. A[3..7],A[13..34],A[38..55],A[58..74],for model 20 is: 0.824
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[3..7],[13..34],[38..55],[58..74], is: 0.718
> Range of RMSD values to reference struct. is 0.592 to 0.957
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..78],for model 1 is: 1.675
> Kabsch RMSD of backb atoms in res. *[1..78],for model 2 is: 1.525
> Kabsch RMSD of backb atoms in res. *[1..78],for model 3 is: 1.571
> Kabsch RMSD of backb atoms in res. *[1..78],for model 4 is: 0.965
> Kabsch RMSD of backb atoms in res. *[1..78],for model 5 is: 1.645
> Kabsch RMSD of backb atoms in res. *[1..78],for model 6 is: 1.209
> Kabsch RMSD of backb atoms in res. *[1..78],for model 7 is: 1.482
> Kabsch RMSD of backb atoms in res. *[1..78],for model 8 is: 1.576
> Kabsch RMSD of backb atoms in res. *[1..78],for model 9 is: 0.800 (*)
> Kabsch RMSD of backb atoms in res. *[1..78],for model 10 is: 0.888
> Kabsch RMSD of backb atoms in res. *[1..78],for model 11 is: 0.958
> Kabsch RMSD of backb atoms in res. *[1..78],for model 12 is: 1.603
> Kabsch RMSD of backb atoms in res. *[1..78],for model 13 is: 1.540
> Kabsch RMSD of backb atoms in res. *[1..78],for model 14 is: 1.075
> Kabsch RMSD of backb atoms in res. *[1..78],for model 15 is: 1.470
> Kabsch RMSD of backb atoms in res. *[1..78],for model 16 is: 1.166
> Kabsch RMSD of backb atoms in res. *[1..78],for model 17 is: 1.503
> Kabsch RMSD of backb atoms in res. *[1..78],for model 18 is: 0.888
> Kabsch RMSD of backb atoms in res. *[1..78],for model 19 is: 1.530
> Kabsch RMSD of backb atoms in res. *[1..78],for model 20 is: 1.439
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..78], is: 1.325
> Range of RMSD values to reference struct. is 0.800 to 1.675
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 1 is: 1.893
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 2 is: 1.603
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 3 is: 1.840
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 4 is: 1.299
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 5 is: 1.798
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 6 is: 1.489
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 7 is: 1.702
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 8 is: 1.859
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 9 is: 1.209
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 10 is: 1.180 (*)
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 11 is: 1.241
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 12 is: 1.829
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 13 is: 1.704
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 14 is: 1.266
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 15 is: 1.879
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 16 is: 1.455
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 17 is: 1.630
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 18 is: 1.378
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 19 is: 1.753
> Kabsch RMSD of heavy atoms in res. *[1..78],for model 20 is: 1.499
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..78], is: 1.575
> Range of RMSD values to reference struct. is 1.180 to 1.893
Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues
RMSD Values
all residues ordered residues selected residues
All backbone atoms 1.3 0.4 0.4
All heavy atoms 1.6 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 >>>----------+
| |
| XCR50_NMR_em_bcr3_020.rin 0.0 1240 residues |
| |
+| Ramachandran plot: 87.4% core 12.6% allow 0.0% gener 0.0% disall |
| |
*| All Ramachandrans: 61 labelled residues (out of1240) |
*| Chi1-chi2 plots: 88 labelled residues (out of 720) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
3 -2.54
4 -2.91
5 -0.82
6 0.02
7 -1.09
13 0.46
14 0.65
15 0.51
16 0.74
17 0.47
18 0.61
19 0.75
20 0.86
21 0.27
22 0.71
23 0.94
24 -0.50
25 -1.16
26 -0.64
27 -2.24
28 -0.95
29 -1.88
30 0.08
31 -0.43
32 0.25
33 -0.16
34 -1.07
38 0.58
39 0.66
40 0.81
41 0.85
42 0.87
43 0.49
44 -3.70
45 -3.33
46 -0.27
47 -2.78
48 0.60
49 -2.19
50 0.53
51 -0.20
52 -0.38
53 -1.27
54 -0.46
55 0.39
58 -0.81
59 -0.37
60 -0.81
61 0.17
62 -2.16
63 -2.03
64 -1.77
65 -0.50
66 -0.12
67 0.15
68 0.03
69 0.73
70 0.59
71 0.81
72 0.75
73 0.78
74 -0.82
#Reported_Model_Average -0.375
#Overall_Average_Reported -0.375
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
3 -1.81
4 -1.43
5 -0.98
6 0.24
7 -1.29
13 -0.70
14 0.51
15 -0.48
16 -0.38
17 0.47
18 0.62
19 -0.34
20 0.86
21 -1.26
22 0.71
23 -0.21
24 -0.50
25 -1.61
26 -0.64
27 -2.24
28 -0.95
29 -1.33
30 -0.16
31 -0.54
32 0.44
33 -0.32
34 -1.60
38 0.58
39 0.66
40 0.69
41 -0.34
42 0.11
43 0.49
44 -1.95
45 -3.33
46 -1.42
47 -2.18
48 -0.24
49 -2.19
50 -0.02
51 -1.66
52 -0.71
53 -1.93
54 -0.46
55 -0.58
58 -1.23
59 -0.32
60 -1.63
61 -1.61
62 -2.16
63 -3.17
64 -1.79
65 -0.50
66 -0.12
67 -0.52
68 -1.20
69 -0.21
70 0.59
71 0.73
72 0.17
73 -0.55
74 -0.82
#Reported_Model_Average -0.705
#Overall_Average_Reported -0.705
Output from Verify3D
Verify3D Score over a window of $winsize_s residues
JPEG image for Verify3D Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
3 1.06 0.77 1.06 0.77 0.77 1.06 1.06 1.06 1.06 0.77 0.77 1.06 1.06 0.77 0.77 0.77 1.06 1.06 0.77 0.77
4 0.79 0.95 0.95 0.79 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 0.79 0.95
5 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.36 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
6 1.30 1.30 1.30 1.30 1.30 1.30 1.09 1.30 1.09 1.30 1.30 1.09 1.30 1.09 1.30 1.30 1.30 1.30 1.09 1.30
7 -0.79 0.52 -2.38 0.52 -0.79 0.52 -0.79 -0.79 -0.79 -2.38 -0.79 -2.38 -0.79 0.52 -2.38 -2.38 0.52 0.10 -0.79 -0.79
13 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 0.16 -0.46 -0.30
14 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
15 0.44 0.29 0.29 0.44 0.29 0.44 0.29 0.29 0.44 0.29 0.44 0.44 0.29 0.29 0.44 0.44 0.29 0.44 0.29 0.29
16 0.29 0.62 0.62 0.62 0.29 0.29 0.62 0.62 0.29 0.29 0.62 0.29 0.62 0.29 0.62 0.62 0.62 0.62 0.62 0.62
17 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
18 0.30 0.30 -0.62 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 -0.62
19 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
20 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
21 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
22 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
23 0.62 0.62 0.62 0.29 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.29 0.62 0.62 0.62 0.62 0.62 0.29 0.29
24 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
25 -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
26 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
27 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
28 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
29 1.04 0.71 1.04 0.71 1.04 0.71 1.04 1.04 0.71 1.04 0.71 1.04 1.04 1.04 0.71 0.71 1.04 0.71 1.04 0.71
30 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56
31 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
32 0.44 0.08 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.08 0.44 0.44 0.44 0.44 0.44 0.44 0.08 0.08
33 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56
34 0.81 0.81 0.93 0.93 0.81 0.93 0.93 0.81 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.81
38 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
39 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
40 -0.46 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46
41 0.62 -0.43 0.62 0.62 0.62 0.09 0.62 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.09 0.62 0.62
42 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
43 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
44 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14
45 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
46 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14
47 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24
48 1.00 0.66 0.66 0.66 0.66 0.66 0.66 0.66 -0.09 0.66 1.00 0.66 -0.09 -0.09 0.66 1.00 0.66 0.66 1.00 0.66
49 0.59 0.59 -0.07 0.59 0.59 0.59 0.59 0.59 0.59 -0.07 0.64 0.59 0.59 -0.07 -0.07 0.59 -0.07 -0.07 0.59 0.59
50 -0.40 -0.09 -0.09 -0.09 0.66 -0.40 -0.09 0.66 -0.40 0.66 -0.09 -0.40 0.66 -0.40 -0.40 -0.09 0.66 0.66 -0.09 -0.09
51 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
52 0.84 0.19 0.84 0.19 0.19 0.19 0.19 0.84 0.84 0.84 0.19 0.19 0.84 0.84 0.84 0.19 0.84 0.84 0.19 0.19
53 0.34 0.34 -2.63 0.34 -2.63 -2.63 -2.63 -2.63 -2.63 -2.63 0.34 0.34 -2.63 0.34 0.34 0.34 0.34 0.34 -2.63 0.34
54 0.44 0.44 0.44 0.64 0.44 0.64 0.44 0.64 0.64 0.44 0.44 0.64 0.44 0.44 0.44 0.44 0.64 0.64 0.44 0.44
55 -0.83 -0.83 -0.83 -0.90 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.90 -0.83 -0.83 -0.83 -0.83 -1.30
58 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
59 1.07 0.36 0.36 0.36 0.36 1.07 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 1.07 0.36 0.36 0.36
60 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.51 0.23 0.23
61 1.12 1.12 1.62 1.12 1.62 1.12 1.12 1.12 1.12 1.12 1.12 1.62 1.62 1.12 1.12 1.62 1.62 1.62 1.12 1.62
62 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.25 0.25
63 1.40 1.04 1.04 1.40 1.04 1.40 1.04 1.04 1.04 1.04 1.40 1.04 1.04 1.40 1.04 1.04 1.40 1.04 1.40 1.04
64 0.51 0.51 0.23 0.51 0.51 0.51 0.23 0.51 0.23 0.23 0.51 0.51 0.23 0.51 0.23 0.51 0.51 0.23 0.51 0.51
65 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02
66 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05
67 -0.20 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 -0.20 0.56 0.56 0.56 0.56
68 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
69 1.10 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 1.10 1.10 0.56
70 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
71 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 0.86 1.01 1.01 1.01 0.86
72 1.30 0.71 1.30 0.71 1.30 0.71 1.30 1.30 1.30 1.30 0.71 1.30 1.30 0.71 0.71 0.71 0.71 1.30 0.71 0.71
73 0.44 0.44 0.44 0.29 0.29 0.44 0.44 0.44 0.44 0.44 0.29 0.44 0.44 0.44 0.44 0.29 0.44 0.29 0.44 0.44
74 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
#Reported_Model_Average 0.483 0.443 0.390 0.468 0.424 0.419 0.415 0.436 0.387 0.385 0.470 0.435 0.427 0.440 0.412 0.422 0.523 0.505 0.402 0.416
#Overall_Average_Reported 0.435
Output from ProsaII
ProsaII Score over a window of $winsize_s residues
JPEG image for ProsaII Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
3 1.06 0.77 1.06 0.77 0.77 1.06 1.06 1.06 1.06 0.77 0.77 1.06 1.06 0.77 0.77 0.77 1.06 1.06 0.77 0.77
4 0.79 0.95 0.95 0.79 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 0.79 0.95
5 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.36 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
6 1.30 1.30 1.30 1.30 1.30 1.30 1.09 1.30 1.09 1.30 1.30 1.09 1.30 1.09 1.30 1.30 1.30 1.30 1.09 1.30
7 -0.79 0.52 -2.38 0.52 -0.79 0.52 -0.79 -0.79 -0.79 -2.38 -0.79 -2.38 -0.79 0.52 -2.38 -2.38 0.52 0.10 -0.79 -0.79
13 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 0.16 -0.46 -0.30
14 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
15 0.44 0.29 0.29 0.44 0.29 0.44 0.29 0.29 0.44 0.29 0.44 0.44 0.29 0.29 0.44 0.44 0.29 0.44 0.29 0.29
16 0.29 0.62 0.62 0.62 0.29 0.29 0.62 0.62 0.29 0.29 0.62 0.29 0.62 0.29 0.62 0.62 0.62 0.62 0.62 0.62
17 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
18 0.30 0.30 -0.62 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 -0.62
19 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
20 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
21 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
22 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
23 0.62 0.62 0.62 0.29 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.29 0.62 0.62 0.62 0.62 0.62 0.29 0.29
24 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
25 -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
26 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
27 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
28 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
29 1.04 0.71 1.04 0.71 1.04 0.71 1.04 1.04 0.71 1.04 0.71 1.04 1.04 1.04 0.71 0.71 1.04 0.71 1.04 0.71
30 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56
31 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
32 0.44 0.08 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.08 0.44 0.44 0.44 0.44 0.44 0.44 0.08 0.08
33 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56
34 0.81 0.81 0.93 0.93 0.81 0.93 0.93 0.81 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.81
38 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
39 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
40 -0.46 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46
41 0.62 -0.43 0.62 0.62 0.62 0.09 0.62 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.09 0.62 0.62
42 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
43 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
44 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14
45 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
46 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14
47 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24
48 1.00 0.66 0.66 0.66 0.66 0.66 0.66 0.66 -0.09 0.66 1.00 0.66 -0.09 -0.09 0.66 1.00 0.66 0.66 1.00 0.66
49 0.59 0.59 -0.07 0.59 0.59 0.59 0.59 0.59 0.59 -0.07 0.64 0.59 0.59 -0.07 -0.07 0.59 -0.07 -0.07 0.59 0.59
50 -0.40 -0.09 -0.09 -0.09 0.66 -0.40 -0.09 0.66 -0.40 0.66 -0.09 -0.40 0.66 -0.40 -0.40 -0.09 0.66 0.66 -0.09 -0.09
51 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
52 0.84 0.19 0.84 0.19 0.19 0.19 0.19 0.84 0.84 0.84 0.19 0.19 0.84 0.84 0.84 0.19 0.84 0.84 0.19 0.19
53 0.34 0.34 -2.63 0.34 -2.63 -2.63 -2.63 -2.63 -2.63 -2.63 0.34 0.34 -2.63 0.34 0.34 0.34 0.34 0.34 -2.63 0.34
54 0.44 0.44 0.44 0.64 0.44 0.64 0.44 0.64 0.64 0.44 0.44 0.64 0.44 0.44 0.44 0.44 0.64 0.64 0.44 0.44
55 -0.83 -0.83 -0.83 -0.90 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.90 -0.83 -0.83 -0.83 -0.83 -1.30
58 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
59 1.07 0.36 0.36 0.36 0.36 1.07 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 1.07 0.36 0.36 0.36
60 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.51 0.23 0.23
61 1.12 1.12 1.62 1.12 1.62 1.12 1.12 1.12 1.12 1.12 1.12 1.62 1.62 1.12 1.12 1.62 1.62 1.62 1.12 1.62
62 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.25 0.25
63 1.40 1.04 1.04 1.40 1.04 1.40 1.04 1.04 1.04 1.04 1.40 1.04 1.04 1.40 1.04 1.04 1.40 1.04 1.40 1.04
64 0.51 0.51 0.23 0.51 0.51 0.51 0.23 0.51 0.23 0.23 0.51 0.51 0.23 0.51 0.23 0.51 0.51 0.23 0.51 0.51
65 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02
66 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05
67 -0.20 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 -0.20 0.56 0.56 0.56 0.56
68 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
69 1.10 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 1.10 1.10 0.56
70 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
71 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 1.01 0.86 1.01 1.01 1.01 0.86
72 1.30 0.71 1.30 0.71 1.30 0.71 1.30 1.30 1.30 1.30 0.71 1.30 1.30 0.71 0.71 0.71 0.71 1.30 0.71 0.71
73 0.44 0.44 0.44 0.29 0.29 0.44 0.44 0.44 0.44 0.44 0.29 0.44 0.44 0.44 0.44 0.29 0.44 0.29 0.44 0.44
74 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
#Reported_Model_Average 0.483 0.443 0.390 0.468 0.424 0.419 0.415 0.436 0.387 0.385 0.470 0.435 0.427 0.440 0.412 0.422 0.523 0.505 0.402 0.416
#Overall_Average_Reported 0.435
Output from MolProbity
VdW violations from MAGE
JPEG image for MAGE VdW violation
Table of MAGE VdW violations for ordered residues across all models
#mage_clash
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
3.000 0 2 2 1 2 1 0 1 1 1 2 3 1 1 1 3 1 1 3 1
4.000 0 2 1 0 0 0 0 2 2 1 1 0 0 0 5 1 5 2 3 1
5.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0
6.000 1 1 0 2 1 0 1 0 0 0 2 0 1 1 0 0 0 0 4 0
7.000 0 0 0 1 1 1 1 0 0 2 1 0 0 0 0 0 1 2 3 1
13.000 2 7 4 7 1 0 2 2 1 4 7 1 3 2 6 1 4 6 6 1
14.000 1 1 0 0 0 2 0 0 0 2 2 1 2 1 0 0 1 2 1 1
15.000 0 1 0 0 0 0 1 0 0 1 0 0 0 0 3 0 1 0 0 0
16.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0
17.000 1 1 0 0 0 1 1 0 2 1 0 1 1 1 0 1 1 0 0 3
18.000 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0
19.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
20.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
21.000 4 7 7 9 1 7 2 3 3 4 3 5 2 2 7 6 3 3 3 5
22.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
23.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
24.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0
25.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
26.000 3 3 4 3 0 3 1 0 2 4 3 3 2 2 4 2 0 3 2 3
27.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
28.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
29.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
30.000 0 0 0 0 0 0 0 0 0 0 0 2 0 2 0 1 0 0 0 1
31.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
32.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 3 0 0 0
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0
34.000 6 3 4 4 3 3 0 5 4 5 3 5 4 5 3 3 3 5 3 4
38.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
39.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
40.000 1 1 0 0 0 2 0 2 0 0 2 0 1 2 2 2 0 1 1 0
41.000 3 4 2 1 2 2 2 1 1 3 2 2 2 2 3 3 3 2 3 3
42.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
43.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
44.000 2 1 1 2 2 1 1 1 1 1 4 1 2 2 1 1 1 1 4 1
45.000 2 2 2 1 1 2 3 0 2 2 3 3 3 1 3 3 2 1 2 2
46.000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
47.000 3 2 2 2 2 2 2 2 2 3 2 2 4 3 2 3 4 3 2 3
48.000 8 3 7 8 5 7 6 7 7 7 9 8 7 6 5 6 7 6 6 6
49.000 4 11 4 4 5 3 5 3 2 4 3 5 6 3 3 4 6 5 5 3
50.000 3 2 2 3 2 2 4 2 2 3 2 2 3 3 2 3 3 3 2 3
51.000 3 8 6 7 4 6 2 5 3 3 5 4 2 2 5 4 4 2 4 3
52.000 1 2 2 0 2 0 1 2 3 1 1 1 0 1 4 1 1 3 5 1
53.000 5 3 1 4 4 5 4 3 4 5 5 2 2 2 2 4 3 3 1 3
54.000 0 2 0 1 1 0 0 1 0 1 1 0 1 0 2 2 0 0 1 0
55.000 0 0 2 0 1 0 0 2 0 1 0 0 0 0 0 0 0 0 1 0
58.000 0 1 0 1 0 0 2 1 0 1 3 1 0 0 0 0 0 0 1 1
59.000 6 6 4 3 2 4 3 1 2 8 4 3 6 6 5 4 6 6 3 4
60.000 1 2 1 1 1 3 3 1 1 1 1 2 1 1 1 1 3 1 1 1
61.000 11 12 11 16 11 11 12 11 14 13 18 14 11 11 14 14 13 13 12 16
62.000 3 3 3 3 3 4 4 3 3 5 3 3 3 3 3 3 3 5 3 3
63.000 5 6 3 5 3 5 1 4 6 5 5 4 5 5 4 7 4 5 4 6
64.000 1 1 1 3 1 3 1 1 1 1 1 1 1 1 3 1 1 1 3 1
65.000 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 3
66.000 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
67.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
68.000 5 4 5 5 3 3 4 5 2 8 4 5 3 2 5 3 3 4 5 1
69.000 1 1 0 1 1 1 2 0 1 0 1 1 1 1 1 1 2 1 1 1
70.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 1 0 1
71.000 8 5 4 5 2 5 5 3 5 6 4 4 7 6 4 4 5 7 3 4
72.000 1 1 2 1 1 1 1 2 1 0 1 1 2 1 1 1 1 2 3 1
73.000 0 2 1 0 1 2 2 1 1 1 1 0 1 1 2 1 1 1 0 1
74.000 1 3 1 2 1 3 2 1 1 0 0 1 3 0 3 2 3 1 1 2
#Reported_Model_Average 1.677 2.000 1.565 1.839 1.258 1.677 1.468 1.387 1.419 1.871 1.903 1.597 1.629 1.468 1.984 1.694 1.806 1.790 1.952 1.613
#Overall_Average_Reported 1.680
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 51 LEU CD1 :A 68 LEU 1HD1 : -0.917: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.781: 0
: 1194:A 26 ALA 2HB :A 21 LEU 3HD2 : -0.635: 0
: 1194:A 68 LEU 1HD1 :A 51 LEU 2HD1 : -0.626: 0
: 1194:A 74 ALA 3HB :A 71 TRP O : -0.623: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.607: 0
: 1194:A 53 ASP OD1 :A 71 TRP CZ2 : -0.601: 0
: 1194:A 53 ASP OD1 :A 71 TRP CH2 : -0.588: 0
: 1194:A 68 LEU 1HD1 :A 51 LEU 3HD1 : -0.566: 0
: 1194:A 59 LEU 1HB :A 71 TRP CE2 : -0.525: 0
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -0.482: 0
: 1194:A 26 ALA CB :A 21 LEU CD2 : -0.478: 0
: 1194:A 53 ASP OD2 :A 57 ARG N : -0.454: 0
: 1194:A 59 LEU 2HD2 :A 71 TRP CE3 : -0.447: 0
: 1194:A 21 LEU HG :A 68 LEU 1HD2 : -0.439: 0
: 1194:A 71 TRP CD2 :A 59 LEU 2HD2 : -0.433: 0
: 1194:A 52 ARG 1HG :A 53 ASP N : -0.427: 0
: 1194:A 56 GLY C :A 57 ARG 1HG : -0.421: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CG : -0.407: 0
: 1194:A 57 ARG O :A 53 ASP OD1 : -0.401: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.796: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.535: 0
: 1194:A 50 VAL CG2 :A 47 ARG 2HB : -0.427: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.754: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.723: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.603: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.523: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.465: 0
: 1194:A 37 ASP 1HB :A 40 LEU 2HD1 : -0.619: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.605: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.594: 0
: 1194:A 34 ILE CD1 :A 48 VAL 2HG2 : -0.545: 0
: 1194:A 41 GLU O :A 45 GLY CA : -0.475: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.469: 0
: 1194:A 13 LEU CD2 :A 49 PRO 2HG : -0.463: 0
: 1194:A 48 VAL 1HG2 :A 8 ARG 2HB : -0.462: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.445: 0
: 1194:A 48 VAL 2HG2 :A 34 ILE 3HD1 : -0.442: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO 2HG : -0.425: 0
: 1194:A 48 VAL CG2 :A 34 ILE 3HD1 : -0.420: 0
: 1194:A 48 VAL CG2 :A 34 ILE 1HD1 : -0.416: 0
: 1194:A 34 ILE CD1 :A 41 GLU OE2 : -0.407: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.586: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.581: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.545: 0
: 1194:A 63 PHE CE1 :A 61 TRP O : -0.477: 0
: 1194:A 61 TRP O :A 63 PHE CZ : -0.474: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.474: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.466: 0
: 1194:A 61 TRP CD2 :A 61 TRP C : -0.447: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.422: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.414: 0
: 1194:A 75 ALA 1HB :A 76 PRO 1HD : -0.560: 0
: 1194:A 6 TYR CE2 :A 44 TYR OH : -0.467: 0
: 1194:A 46 LEU N :A 44 TYR O : -0.426: 0
: 1194:A 14 CYS O :A 17 ALA 3HB : -0.422: 0
#sum2 ::46.90 clashscore : 46.90 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134960 potential dots:8435.0 A^2:56 bumps:56 bumps B<40:75.47 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -0.838: 0
: 1194:A 51 LEU 2HD2 :A 3 LEU 2HD2 : -0.706: 0
: 1194:A 51 LEU 1HD1 :A 21 LEU CG : -0.675: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.675: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CG : -0.675: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.625: 0
: 1194:A 51 LEU 1HD1 :A 21 LEU CD1 : -0.608: 0
: 1194:A 21 LEU 1HD1 :A 51 LEU 1HD1 : -0.593: 0
: 1194:A 68 LEU 2HD1 :A 59 LEU CD2 : -0.546: 0
: 1194:A 59 LEU 1HB :A 71 TRP CE2 : -0.530: 0
: 1194:A 21 LEU HG :A 51 LEU 1HD1 : -0.506: 0
: 1194:A 26 ALA 2HB :A 21 LEU 3HD2 : -0.485: 0
: 1194:A 74 ALA 3HB :A 71 TRP O : -0.482: 0
: 1194:A 53 ASP CB :A 54 PRO CD : -0.462: 0
: 1194:A 3 LEU CD2 :A 53 ASP CG : -0.450: 0
: 1194:A 74 ALA O :A 75 ALA C : -0.450: 0
: 1194:A 73 ASP O :A 74 ALA C : -0.449: 0
: 1194:A 51 LEU CD1 :A 68 LEU 1HD1 : -0.428: 0
: 1194:A 75 ALA N :A 76 PRO 2HD : -0.426: 0
: 1194:A 53 ASP CG :A 54 PRO 1HD : -0.425: 0
: 1194:A 58 GLU HA :A 51 LEU O : -0.421: 0
: 1194:A 73 ASP C :A 75 ALA N : -0.418: 0
: 1194:A 26 ALA CB :A 21 LEU CD2 : -0.404: 0
: 1194:A 59 LEU 1HB :A 71 TRP CD2 : -0.401: 0
: 1194:A 68 LEU 1HD1 :A 51 LEU 2HD1 : -0.401: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.764: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.551: 0
: 1194:A 49 PRO CD :A 13 LEU 3HD2 : -0.760: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.760: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO CG : -0.716: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.629: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.606: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.587: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.564: 0
: 1194:A 49 PRO 2HD :A 13 LEU 3HD2 : -0.558: 0
: 1194:A 49 PRO 1HB :A 61 TRP CE3 : -0.556: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO 2HG : -0.525: 0
: 1194:A 13 LEU CD2 :A 49 PRO CG : -0.514: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.497: 0
: 1194:A 63 PHE CE1 :A 61 TRP O : -0.496: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.465: 0
: 1194:A 13 LEU CD2 :A 49 PRO 2HG : -0.461: 0
: 1194:A 61 TRP O :A 63 PHE CZ : -0.460: 0
: 1194:A 49 PRO 2HG :A 13 LEU CG : -0.453: 0
: 1194:A 61 TRP CD2 :A 61 TRP C : -0.443: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.441: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.439: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.429: 0
: 1194:A 48 VAL HB :A 49 PRO 2HD : -0.408: 0
: 1194:A 60 ASP O :A 63 PHE CE2 : -0.406: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.704: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.602: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.507: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.474: 0
: 1194:A 52 ARG CG :A 4 THR HB : -0.540: 0
: 1194:A 4 THR 1HG2 :A 52 ARG HE : -0.493: 0
: 1194:A 35 ASP O :A 36 ASP CB : -0.535: 0
: 1194:A 57 ARG CB :A 56 GLY O : -0.507: 0
: 1194:A 57 ARG CG :A 56 GLY C : -0.467: 0
: 1194:A 34 ILE 2HG2 :A 6 TYR CD1 : -0.474: 0
: 1194:A 41 GLU 1HG :A 34 ILE 2HD1 : -0.459: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.444: 0
: 1194:A 41 GLU HA :A 34 ILE 2HD1 : -0.432: 0
: 1194:A 41 GLU O :A 45 GLY CA : -0.424: 0
: 1194:A 37 ASP CB :A 40 LEU 2HD1 : -0.456: 0
: 1194:A 46 LEU N :A 44 TYR O : -0.450: 0
: 1194:A 11 CYS O :A 15 ASP CG : -0.446: 0
: 1194:A 14 CYS O :A 17 ALA 3HB : -0.421: 0
#sum2 ::56.95 clashscore : 56.95 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134875 potential dots:8430.0 A^2:68 bumps:68 bumps B<40:58.86 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -1.013: 0
: 1194:A 72 LEU 3HD2 :A 68 LEU O : -0.814: 0
: 1194:A 68 LEU 2HD1 :A 59 LEU CD2 : -0.689: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.684: 0
: 1194:A 53 ASP OD2 :A 71 TRP CH2 : -0.594: 0
: 1194:A 26 ALA 2HB :A 21 LEU 3HD2 : -0.591: 0
: 1194:A 26 ALA CB :A 21 LEU CD2 : -0.575: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CG : -0.556: 0
: 1194:A 52 ARG CG :A 4 THR HB : -0.545: 0
: 1194:A 68 LEU 1HD1 :A 51 LEU 2HD1 : -0.535: 0
: 1194:A 21 LEU 1HD1 :A 51 LEU 1HD1 : -0.530: 0
: 1194:A 74 ALA 3HB :A 71 TRP O : -0.529: 0
: 1194:A 52 ARG O :A 3 LEU 3HD2 : -0.527: 0
: 1194:A 51 LEU CD1 :A 68 LEU 1HD1 : -0.513: 0
: 1194:A 77 HIS NE2 :A 72 LEU 2HD1 : -0.470: 0
: 1194:A 51 LEU 1HD1 :A 21 LEU CD1 : -0.461: 0
: 1194:A 51 LEU 2HD2 :A 3 LEU 2HD2 : -0.460: 0
: 1194:A 51 LEU 1HD1 :A 21 LEU CG : -0.443: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.424: 0
: 1194:A 21 LEU CD2 :A 26 ALA 3HB : -0.402: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.742: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.534: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.712: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.607: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.519: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.461: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO CG : -0.665: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO 2HG : -0.643: 0
: 1194:A 48 VAL 1HG2 :A 8 ARG 1HG : -0.633: 0
: 1194:A 61 TRP CZ2 :A 13 LEU CD1 : -0.628: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.605: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.601: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.583: 0
: 1194:A 34 ILE CD1 :A 48 VAL 2HG2 : -0.575: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.546: 0
: 1194:A 48 VAL 2HG2 :A 34 ILE 3HD1 : -0.521: 0
: 1194:A 48 VAL CG2 :A 34 ILE 3HD1 : -0.500: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.471: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.468: 0
: 1194:A 61 TRP CD2 :A 61 TRP C : -0.445: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.439: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.414: 0
: 1194:A 61 TRP CZ2 :A 13 LEU 1HD1 : -0.410: 0
: 1194:A 75 ALA 1HB :A 76 PRO 1HD : -0.544: 0
: 1194:A 55 MET 2HG :A 76 PRO CD : -0.510: 0
: 1194:A 76 PRO CG :A 55 MET 2HG : -0.484: 0
: 1194:A 73 ASP C :A 75 ALA N : -0.452: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.520: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.455: 0
: 1194:A 41 GLU O :A 45 GLY CA : -0.436: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.430: 0
: 1194:A 9 ASP O :A 10 ASP C : -0.427: 0
: 1194:A 46 LEU N :A 44 TYR O : -0.425: 0
#sum2 ::44.39 clashscore : 44.39 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134868 potential dots:8429.0 A^2:53 bumps:53 bumps B<40:80.14 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.851: 0
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -0.836: 0
: 1194:A 21 LEU 1HD1 :A 51 LEU 1HD1 : -0.782: 0
: 1194:A 51 LEU 1HD1 :A 21 LEU CD1 : -0.705: 0
: 1194:A 3 LEU 3HD2 :A 53 ASP HA : -0.696: 0
: 1194:A 51 LEU CD1 :A 68 LEU 1HD1 : -0.667: 0
: 1194:A 26 ALA 2HB :A 21 LEU 3HD2 : -0.654: 0
: 1194:A 21 LEU HG :A 68 LEU 1HD2 : -0.609: 0
: 1194:A 53 ASP OD1 :A 71 TRP CH2 : -0.598: 0
: 1194:A 26 ALA CB :A 21 LEU CD2 : -0.550: 0
: 1194:A 68 LEU 1HD1 :A 51 LEU 2HD1 : -0.535: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.519: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CG : -0.519: 0
: 1194:A 74 ALA 3HB :A 71 TRP O : -0.448: 0
: 1194:A 68 LEU CD2 :A 21 LEU HA : -0.447: 0
: 1194:A 74 ALA O :A 75 ALA C : -0.446: 0
: 1194:A 51 LEU 1HD1 :A 21 LEU CG : -0.427: 0
: 1194:A 21 LEU 1HD1 :A 51 LEU CD1 : -0.425: 0
: 1194:A 53 ASP CB :A 54 PRO CD : -0.412: 0
: 1194:A 51 LEU O :A 58 GLU HA : -0.410: 0
: 1194:A 53 ASP OD1 :A 71 TRP CZ3 : -0.409: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.764: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.555: 0
: 1194:A 50 VAL 1HG1 :A 44 TYR HE1 : -0.456: 0
: 1194:A 44 TYR O :A 46 LEU N : -0.427: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.722: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.598: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.516: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.467: 0
: 1194:A 64 ASP N :A 64 ASP OD1 : -0.426: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO CG : -0.698: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO 2HG : -0.661: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.608: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.598: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.597: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.591: 0
: 1194:A 61 TRP CZ2 :A 13 LEU CD1 : -0.571: 0
: 1194:A 13 LEU HG :A 61 TRP CZ2 : -0.570: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.558: 0
: 1194:A 63 PHE CE1 :A 61 TRP O : -0.553: 0
: 1194:A 61 TRP O :A 63 PHE CZ : -0.546: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.531: 0
: 1194:A 34 ILE CD1 :A 48 VAL 2HG2 : -0.493: 0
: 1194:A 48 VAL 1HG1 :A 8 ARG 1HG : -0.493: 0
: 1194:A 34 ILE 1HG1 :A 48 VAL 2HG2 : -0.479: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.476: 0
: 1194:A 61 TRP CD2 :A 61 TRP C : -0.463: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.454: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.437: 0
: 1194:A 61 TRP CZ2 :A 13 LEU 1HD1 : -0.437: 0
: 1194:A 13 LEU 1HD2 :A 61 TRP NE1 : -0.436: 0
: 1194:A 34 ILE CG1 :A 48 VAL 2HG2 : -0.433: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.432: 0
: 1194:A 61 TRP CZ2 :A 13 LEU CG : -0.414: 0
: 1194:A 6 TYR C :A 7 GLN 2HG : -0.412: 0
: 1194:A 48 VAL O :A 6 TYR O : -0.402: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.671: 0
: 1194:A 35 ASP O :A 36 ASP CB : -0.539: 0
: 1194:A 76 PRO O :A 77 HIS C : -0.459: 0
: 1194:A 77 HIS O :A 76 PRO O : -0.406: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.450: 0
#sum2 ::51.09 clashscore : 51.09 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134896 potential dots:8431.0 A^2:61 bumps:61 bumps B<40:79.72 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 51 LEU 3HD2 :A 68 LEU 1HD1 : -0.918: 0
: 1194:A 3 LEU 3HD2 :A 53 ASP HA : -0.705: 0
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -0.659: 0
: 1194:A 21 LEU 1HD2 :A 51 LEU 1HD2 : -0.525: 0
: 1194:A 53 ASP OD1 :A 3 LEU CD2 : -0.521: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.483: 0
: 1194:A 52 ARG N :A 51 LEU 2HD1 : -0.451: 0
: 1194:A 74 ALA 3HB :A 71 TRP O : -0.438: 0
: 1194:A 53 ASP CB :A 54 PRO CD : -0.425: 0
: 1194:A 51 LEU 3HD2 :A 68 LEU CD1 : -0.423: 0
: 1194:A 52 ARG 1HG :A 53 ASP N : -0.412: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.832: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.486: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.727: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.605: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.523: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.455: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.641: 0
: 1194:A 75 ALA 1HB :A 76 PRO 1HD : -0.639: 0
: 1194:A 55 MET SD :A 76 PRO CD : -0.530: 0
: 1194:A 76 PRO CD :A 75 ALA 1HB : -0.495: 0
: 1194:A 75 ALA N :A 73 ASP C : -0.421: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.602: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.597: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.557: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.493: 0
: 1194:A 49 PRO 1HG :A 61 TRP CG : -0.484: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.479: 0
: 1194:A 13 LEU CD2 :A 49 PRO 2HG : -0.475: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.454: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.446: 0
: 1194:A 7 GLN HA :A 48 VAL 3HG1 : -0.443: 0
: 1194:A 61 TRP C :A 61 TRP CD2 : -0.440: 0
: 1194:A 49 PRO 1HB :A 61 TRP CE3 : -0.439: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.428: 0
: 1194:A 34 ILE CD1 :A 48 VAL 2HG2 : -0.427: 0
: 1194:A 41 GLU 1HG :A 34 ILE 2HD1 : -0.419: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.417: 0
: 1194:A 35 ASP O :A 36 ASP CB : -0.542: 0
: 1194:A 6 TYR CE2 :A 44 TYR OH : -0.540: 0
: 1194:A 46 LEU N :A 44 TYR O : -0.440: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.519: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.466: 0
: 1194:A 8 ARG O :A 9 ASP CB : -0.424: 0
#sum2 ::36.85 clashscore : 36.85 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:135017 potential dots:8439.0 A^2:44 bumps:44 bumps B<40:126.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 37 ASP 1HB :A 40 LEU 2HD1 : -0.840: 0
: 1194:A 40 LEU 2HD1 :A 37 ASP CB : -0.538: 0
: 1194:A 71 TRP CE3 :A 59 LEU 2HD1 : -0.785: 0
: 1194:A 68 LEU 2HD1 :A 59 LEU 3HD1 : -0.736: 0
: 1194:A 51 LEU CD1 :A 68 LEU 1HD1 : -0.621: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.599: 0
: 1194:A 51 LEU 3HD1 :A 68 LEU 1HD1 : -0.598: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.592: 0
: 1194:A 51 LEU 1HD1 :A 21 LEU CD1 : -0.590: 0
: 1194:A 21 LEU 1HD1 :A 51 LEU 1HD1 : -0.560: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.536: 0
: 1194:A 51 LEU 1HD1 :A 21 LEU CG : -0.525: 0
: 1194:A 57 ARG 1HD :A 76 PRO CG : -0.524: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.497: 0
: 1194:A 3 LEU 3HD2 :A 53 ASP HA : -0.496: 0
: 1194:A 26 ALA 2HB :A 21 LEU 3HD2 : -0.489: 0
: 1194:A 76 PRO CB :A 57 ARG 1HD : -0.486: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.479: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.478: 0
: 1194:A 26 ALA CB :A 21 LEU CD2 : -0.472: 0
: 1194:A 60 ASP H :A 59 LEU 3HD2 : -0.472: 0
: 1194:A 74 ALA 3HB :A 71 TRP O : -0.467: 0
: 1194:A 59 LEU HG :A 71 TRP CD2 : -0.464: 0
: 1194:A 61 TRP C :A 61 TRP CD2 : -0.463: 0
: 1194:A 21 LEU HG :A 51 LEU 1HD1 : -0.462: 0
: 1194:A 63 PHE CE1 :A 61 TRP O : -0.461: 0
: 1194:A 74 ALA O :A 75 ALA C : -0.453: 0
: 1194:A 53 ASP OD2 :A 57 ARG N : -0.449: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.445: 0
: 1194:A 61 TRP O :A 63 PHE CZ : -0.433: 0
: 1194:A 56 GLY C :A 57 ARG 1HG : -0.429: 0
: 1194:A 73 ASP C :A 75 ALA N : -0.429: 0
: 1194:A 60 ASP CG :A 62 PRO 1HD : -0.422: 0
: 1194:A 53 ASP OD1 :A 71 TRP CZ2 : -0.416: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.409: 0
: 1194:A 53 ASP OD1 :A 71 TRP CH2 : -0.401: 0
: 1194:A 57 ARG O :A 53 ASP OD1 : -0.401: 0
: 1194:A 73 ASP O :A 74 ALA C : -0.400: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.751: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.530: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.720: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.603: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.518: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.459: 0
: 1194:A 64 ASP N :A 64 ASP OD1 : -0.429: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.667: 0
: 1194:A 34 ILE CD1 :A 48 VAL 2HG2 : -0.539: 0
: 1194:A 48 VAL 1HG1 :A 8 ARG 1HB : -0.527: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.527: 0
: 1194:A 9 ASP CB :A 8 ARG O : -0.494: 0
: 1194:A 7 GLN HA :A 48 VAL CG1 : -0.485: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.461: 0
: 1194:A 34 ILE CG1 :A 8 ARG 1HG : -0.458: 0
: 1194:A 48 VAL HB :A 49 PRO 2HD : -0.429: 0
: 1194:A 9 ASP O :A 10 ASP C : -0.422: 0
: 1194:A 14 CYS O :A 17 ALA 3HB : -0.562: 0
: 1194:A 5 LEU 1HD2 :A 14 CYS SG : -0.428: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.462: 0
: 1194:A 44 TYR O :A 46 LEU N : -0.440: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.417: 0
: 1194:A 41 GLU O :A 45 GLY CA : -0.404: 0
#sum2 ::51.09 clashscore : 51.09 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134808 potential dots:8426.0 A^2:61 bumps:61 bumps B<40:100.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 51 LEU CD1 :A 68 LEU 1HD1 : -0.835: 0
: 1194:A 68 LEU 1HD1 :A 51 LEU 2HD1 : -0.754: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.496: 0
: 1194:A 21 LEU HG :A 68 LEU 1HD2 : -0.432: 0
: 1194:A 63 PHE CD2 :A 68 LEU 2HD1 : -0.430: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.805: 0
: 1194:A 24 ALA 1HB :A 69 ARG 1HB : -0.662: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.723: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.605: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.525: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.457: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.698: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.545: 0
: 1194:A 50 VAL CG1 :A 58 GLU OE2 : -0.464: 0
: 1194:A 50 VAL 2HG1 :A 58 GLU OE2 : -0.401: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.682: 0
: 1194:A 7 GLN HA :A 48 VAL 2HG1 : -0.679: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.600: 0
: 1194:A 45 GLY O :A 48 VAL CG2 : -0.550: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.537: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.525: 0
: 1194:A 13 LEU HG :A 61 TRP CZ2 : -0.486: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.476: 0
: 1194:A 61 TRP C :A 61 TRP CD2 : -0.462: 0
: 1194:A 60 ASP C :A 60 ASP OD1 : -0.461: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.458: 0
: 1194:A 49 PRO 1HB :A 61 TRP CE3 : -0.457: 0
: 1194:A 13 LEU CD2 :A 49 PRO 2HG : -0.456: 0
: 1194:A 41 GLU O :A 45 GLY CA : -0.448: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.442: 0
: 1194:A 17 ALA 2HB :A 61 TRP CZ3 : -0.437: 0
: 1194:A 48 VAL HB :A 49 PRO 2HD : -0.416: 0
: 1194:A 62 PRO O :A 60 ASP CG : -0.405: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.404: 0
: 1194:A 48 VAL O :A 6 TYR O : -0.402: 0
: 1194:A 75 ALA 1HB :A 76 PRO 1HD : -0.570: 0
: 1194:A 59 LEU 1HB :A 71 TRP CE2 : -0.529: 0
: 1194:A 70 ALA O :A 74 ALA 2HB : -0.511: 0
: 1194:A 53 ASP OD1 :A 71 TRP CZ2 : -0.495: 0
: 1194:A 53 ASP OD1 :A 71 TRP CH2 : -0.481: 0
: 1194:A 73 ASP O :A 74 ALA C : -0.453: 0
: 1194:A 53 ASP OD2 :A 57 ARG N : -0.451: 0
: 1194:A 57 ARG NH2 :A 75 ALA O : -0.449: 0
: 1194:A 73 ASP C :A 75 ALA N : -0.427: 0
: 1194:A 52 ARG 1HG :A 53 ASP N : -0.424: 0
: 1194:A 71 TRP CD2 :A 59 LEU 2HD2 : -0.423: 0
: 1194:A 75 ALA 1HB :A 76 PRO CD : -0.423: 0
: 1194:A 56 GLY C :A 57 ARG 1HG : -0.421: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.408: 0
: 1194:A 46 LEU N :A 44 TYR O : -0.453: 0
: 1194:A 35 ASP O :A 36 ASP C : -0.432: 0
: 1194:A 15 ASP N :A 12 HIS O : -0.418: 0
#sum2 ::43.55 clashscore : 43.55 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134954 potential dots:8435.0 A^2:52 bumps:52 bumps B<40:92.94 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 37 ASP 1HB :A 40 LEU 2HD1 : -0.856: 0
: 1194:A 37 ASP CB :A 40 LEU 2HD1 : -0.742: 0
: 1194:A 72 LEU 3HD2 :A 68 LEU O : -0.842: 0
: 1194:A 68 LEU 1HD1 :A 51 LEU 2HD1 : -0.689: 0
: 1194:A 21 LEU 1HD2 :A 51 LEU 1HD1 : -0.655: 0
: 1194:A 74 ALA 3HB :A 71 TRP O : -0.640: 0
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -0.562: 0
: 1194:A 21 LEU CD2 :A 51 LEU 1HD1 : -0.504: 0
: 1194:A 53 ASP OD1 :A 71 TRP CH2 : -0.501: 0
: 1194:A 51 LEU CD1 :A 68 LEU 1HD1 : -0.496: 0
: 1194:A 3 LEU 3HD2 :A 53 ASP HA : -0.461: 0
: 1194:A 71 TRP HE3 :A 72 LEU 2HD2 : -0.426: 0
: 1194:A 53 ASP CB :A 54 PRO CD : -0.420: 0
: 1194:A 58 GLU HA :A 51 LEU O : -0.417: 0
: 1194:A 21 LEU HA :A 68 LEU CD2 : -0.408: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.816: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.548: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.726: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.606: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.524: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.456: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.608: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.608: 0
: 1194:A 34 ILE 1HG1 :A 48 VAL 2HG2 : -0.606: 0
: 1194:A 13 LEU HG :A 61 TRP CZ2 : -0.573: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.535: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.510: 0
: 1194:A 8 ARG HE :A 48 VAL 1HG2 : -0.495: 0
: 1194:A 34 ILE CD1 :A 48 VAL 2HG2 : -0.495: 0
: 1194:A 34 ILE CG1 :A 48 VAL 2HG2 : -0.488: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.482: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.472: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.470: 0
: 1194:A 61 TRP C :A 61 TRP CD2 : -0.470: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.465: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.464: 0
: 1194:A 13 LEU CD2 :A 49 PRO 2HG : -0.463: 0
: 1194:A 61 TRP O :A 63 PHE CZ : -0.444: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.406: 0
: 1194:A 41 GLU HA :A 34 ILE 2HD1 : -0.404: 0
: 1194:A 52 ARG CG :A 4 THR HB : -0.553: 0
: 1194:A 52 ARG CD :A 4 THR HB : -0.500: 0
: 1194:A 55 MET 2HG :A 76 PRO CD : -0.505: 0
: 1194:A 75 ALA 1HB :A 76 PRO 1HD : -0.464: 0
: 1194:A 73 ASP C :A 75 ALA N : -0.432: 0
: 1194:A 76 PRO CG :A 55 MET 2HG : -0.420: 0
: 1194:A 9 ASP O :A 10 ASP C : -0.444: 0
: 1194:A 44 TYR O :A 46 LEU N : -0.443: 0
#sum2 ::40.20 clashscore : 40.20 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134808 potential dots:8426.0 A^2:48 bumps:48 bumps B<40:78.86 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 76 PRO 2HD :A 75 ALA 3HB : -0.856: 0
: 1194:A 77 HIS CB :A 76 PRO O : -0.565: 0
: 1194:A 75 ALA N :A 76 PRO CD : -0.514: 0
: 1194:A 75 ALA 3HB :A 76 PRO CD : -0.508: 0
: 1194:A 77 HIS O :A 78 ALA C : -0.457: 0
: 1194:A 76 PRO 1HD :A 73 ASP C : -0.435: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.812: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.535: 0
: 1194:A 51 LEU 3HD2 :A 68 LEU 1HD1 : -0.767: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.605: 0
: 1194:A 13 LEU HG :A 61 TRP CZ2 : -0.571: 0
: 1194:A 17 ALA 2HB :A 61 TRP CZ3 : -0.543: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.543: 0
: 1194:A 61 TRP HZ3 :A 17 ALA 2HB : -0.542: 0
: 1194:A 52 ARG CD :A 4 THR HB : -0.539: 0
: 1194:A 52 ARG CG :A 4 THR HB : -0.527: 0
: 1194:A 21 LEU 1HD2 :A 51 LEU 1HD2 : -0.522: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.470: 0
: 1194:A 61 TRP CD2 :A 61 TRP C : -0.461: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.446: 0
: 1194:A 52 ARG N :A 51 LEU 2HD1 : -0.440: 0
: 1194:A 61 TRP O :A 63 PHE CZ : -0.439: 0
: 1194:A 63 PHE CD1 :A 63 PHE N : -0.437: 0
: 1194:A 26 ALA CB :A 21 LEU CD2 : -0.430: 0
: 1194:A 63 PHE CD2 :A 68 LEU 2HD1 : -0.426: 0
: 1194:A 61 TRP O :A 63 PHE CE2 : -0.425: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.413: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.413: 0
: 1194:A 26 ALA 2HB :A 21 LEU 3HD2 : -0.406: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.740: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.731: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.600: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.527: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.462: 0
: 1194:A 34 ILE CD1 :A 48 VAL 2HG2 : -0.624: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.597: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.594: 0
: 1194:A 48 VAL 2HG2 :A 34 ILE 3HD1 : -0.564: 0
: 1194:A 48 VAL 3HG2 :A 45 GLY O : -0.491: 0
: 1194:A 48 VAL CG2 :A 34 ILE 3HD1 : -0.475: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.459: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.408: 0
: 1194:A 53 ASP OD1 :A 71 TRP CZ2 : -0.580: 0
: 1194:A 59 LEU 1HB :A 71 TRP CE2 : -0.532: 0
: 1194:A 53 ASP OD1 :A 71 TRP CH2 : -0.485: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.443: 0
: 1194:A 56 GLY C :A 57 ARG 1HG : -0.423: 0
: 1194:A 74 ALA 3HB :A 71 TRP O : -0.416: 0
: 1194:A 53 ASP OD2 :A 57 ARG CB : -0.407: 0
: 1194:A 3 LEU 3HD2 :A 53 ASP HA : -0.402: 0
: 1194:A 44 TYR O :A 46 LEU N : -0.408: 0
#sum2 ::42.71 clashscore : 42.71 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134953 potential dots:8435.0 A^2:51 bumps:51 bumps B<40:144.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -0.913: 0
: 1194:A 68 LEU CD1 :A 59 LEU 3HD2 : -0.655: 0
: 1194:A 68 LEU 2HD1 :A 59 LEU CD2 : -0.620: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.614: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.597: 0
: 1194:A 51 LEU CD1 :A 68 LEU 1HD1 : -0.596: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CG : -0.583: 0
: 1194:A 53 ASP OD2 :A 71 TRP CH2 : -0.574: 0
: 1194:A 59 LEU 2HD2 :A 71 TRP CE3 : -0.546: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.488: 0
: 1194:A 59 LEU 1HB :A 71 TRP CE2 : -0.482: 0
: 1194:A 3 LEU 3HD2 :A 53 ASP HA : -0.473: 0
: 1194:A 71 TRP CZ2 :A 53 ASP OD2 : -0.472: 0
: 1194:A 63 PHE CD2 :A 68 LEU CD1 : -0.469: 0
: 1194:A 53 ASP CB :A 54 PRO CD : -0.467: 0
: 1194:A 68 LEU 1HD1 :A 51 LEU 2HD1 : -0.458: 0
: 1194:A 63 PHE CD2 :A 68 LEU 2HD1 : -0.450: 0
: 1194:A 68 LEU HA :A 59 LEU 1HD2 : -0.436: 0
: 1194:A 58 GLU HA :A 51 LEU O : -0.421: 0
: 1194:A 53 ASP OD1 :A 57 ARG O : -0.400: 0
: 1194:A 55 MET SD :A 75 ALA 1HB : -0.821: 0
: 1194:A 76 PRO 2HD :A 75 ALA 3HB : -0.770: 0
: 1194:A 75 ALA N :A 76 PRO CD : -0.572: 0
: 1194:A 75 ALA N :A 76 PRO 1HD : -0.429: 0
: 1194:A 76 PRO 1HD :A 73 ASP C : -0.417: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.766: 0
: 1194:A 26 ALA 2HB :A 21 LEU 3HD2 : -0.542: 0
: 1194:A 26 ALA CB :A 21 LEU CD2 : -0.541: 0
: 1194:A 26 ALA 3HB :A 21 LEU CD2 : -0.459: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.760: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.553: 0
: 1194:A 50 VAL CG2 :A 47 ARG 2HB : -0.427: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.710: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.610: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.536: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.460: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO 2HG : -0.648: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.593: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.572: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.564: 0
: 1194:A 61 TRP CZ2 :A 13 LEU CD1 : -0.535: 0
: 1194:A 34 ILE 1HG1 :A 48 VAL 2HG2 : -0.531: 0
: 1194:A 61 TRP CG :A 62 PRO 2HD : -0.530: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.514: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.509: 0
: 1194:A 61 TRP C :A 61 TRP CD2 : -0.497: 0
: 1194:A 13 LEU HG :A 61 TRP CZ2 : -0.488: 0
: 1194:A 14 CYS O :A 17 ALA 3HB : -0.488: 0
: 1194:A 61 TRP CD1 :A 62 PRO 2HD : -0.474: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.470: 0
: 1194:A 61 TRP N :A 62 PRO CD : -0.467: 0
: 1194:A 7 GLN HA :A 48 VAL 3HG1 : -0.466: 0
: 1194:A 61 TRP CB :A 62 PRO CD : -0.461: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO CG : -0.455: 0
: 1194:A 34 ILE CD1 :A 48 VAL 2HG2 : -0.451: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.451: 0
: 1194:A 41 GLU HA :A 34 ILE 2HD1 : -0.450: 0
: 1194:A 34 ILE CG1 :A 48 VAL 2HG2 : -0.421: 0
: 1194:A 41 GLU O :A 45 GLY CA : -0.417: 0
: 1194:A 7 GLN CB :A 14 CYS SG : -0.410: 0
: 1194:A 35 ASP O :A 36 ASP CB : -0.544: 0
: 1194:A 52 ARG CG :A 4 THR HB : -0.525: 0
: 1194:A 46 LEU N :A 44 TYR O : -0.440: 0
: 1194:A 15 ASP N :A 12 HIS O : -0.437: 0
#sum2 ::53.60 clashscore : 53.60 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134787 potential dots:8424.0 A^2:64 bumps:64 bumps B<40:38.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 61 TRP CE2 :A 13 LEU 1HD2 : -1.158: 0
: 1194:A 13 LEU 1HD2 :A 61 TRP CZ2 : -0.702: 0
: 1194:A 13 LEU 1HD2 :A 61 TRP CD2 : -0.700: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.591: 0
: 1194:A 13 LEU CD2 :A 61 TRP CZ2 : -0.582: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.578: 0
: 1194:A 61 TRP CE2 :A 13 LEU CD2 : -0.560: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.546: 0
: 1194:A 63 PHE CE1 :A 61 TRP O : -0.502: 0
: 1194:A 61 TRP O :A 63 PHE CZ : -0.495: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.487: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.462: 0
: 1194:A 61 TRP CZ2 :A 13 LEU CG : -0.457: 0
: 1194:A 61 TRP CD2 :A 61 TRP C : -0.455: 0
: 1194:A 13 LEU HG :A 61 TRP CZ2 : -0.453: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.425: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.419: 0
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -1.029: 0
: 1194:A 51 LEU CD1 :A 68 LEU 1HD1 : -0.630: 0
: 1194:A 71 TRP CZ3 :A 53 ASP OD1 : -0.538: 0
: 1194:A 3 LEU 3HD2 :A 53 ASP HA : -0.533: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.486: 0
: 1194:A 68 LEU 1HD1 :A 51 LEU 2HD1 : -0.483: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CG : -0.477: 0
: 1194:A 53 ASP OD1 :A 71 TRP CH2 : -0.469: 0
: 1194:A 51 LEU O :A 58 GLU CB : -0.453: 0
: 1194:A 53 ASP CB :A 54 PRO CD : -0.453: 0
: 1194:A 68 LEU HA :A 59 LEU CD2 : -0.447: 0
: 1194:A 3 LEU CD2 :A 53 ASP CG : -0.436: 0
: 1194:A 58 GLU CA :A 51 LEU O : -0.411: 0
: 1194:A 58 GLU HA :A 51 LEU O : -0.409: 0
: 1194:A 76 PRO 2HD :A 75 ALA 3HB : -0.806: 0
: 1194:A 75 ALA N :A 76 PRO CD : -0.535: 0
: 1194:A 75 ALA N :A 76 PRO 1HD : -0.411: 0
: 1194:A 76 PRO 1HD :A 73 ASP C : -0.409: 0
: 1194:A 75 ALA 3HB :A 76 PRO CD : -0.408: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.706: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.604: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.522: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.473: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.680: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.490: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.661: 0
: 1194:A 26 ALA 2HB :A 21 LEU 3HD2 : -0.640: 0
: 1194:A 26 ALA CB :A 21 LEU CD2 : -0.603: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.648: 0
: 1194:A 48 VAL 1HG2 :A 8 ARG 1HG : -0.596: 0
: 1194:A 34 ILE CD1 :A 48 VAL 2HG2 : -0.578: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.532: 0
: 1194:A 48 VAL 3HG2 :A 45 GLY O : -0.529: 0
: 1194:A 41 GLU O :A 45 GLY CA : -0.516: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.511: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.470: 0
: 1194:A 7 GLN HA :A 48 VAL CG1 : -0.459: 0
: 1194:A 48 VAL HB :A 49 PRO 2HD : -0.440: 0
: 1194:A 8 ARG O :A 8 ARG CG : -0.415: 0
: 1194:A 48 VAL 2HG2 :A 34 ILE 3HD1 : -0.413: 0
: 1194:A 6 TYR CE2 :A 44 TYR OH : -0.582: 0
: 1194:A 40 LEU 2HD2 :A 44 TYR HE2 : -0.501: 0
: 1194:A 44 TYR CZ :A 6 TYR CE2 : -0.477: 0
: 1194:A 46 LEU N :A 44 TYR O : -0.424: 0
: 1194:A 37 ASP CB :A 40 LEU 2HD1 : -0.413: 0
: 1194:A 52 ARG CG :A 4 THR HB : -0.559: 0
: 1194:A 35 ASP O :A 36 ASP CB : -0.559: 0
: 1194:A 18 VAL 3HG2 :A 14 CYS O : -0.450: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.450: 0
: 1194:A 14 CYS N :A 11 CYS O : -0.443: 0
#sum2 ::56.11 clashscore : 56.11 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134830 potential dots:8427.0 A^2:67 bumps:67 bumps B<40:33.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 68 LEU 1HD1 :A 51 LEU 2HD1 : -0.942: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.828: 0
: 1194:A 21 LEU HG :A 68 LEU 1HD2 : -0.747: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.659: 0
: 1194:A 71 TRP CZ2 :A 53 ASP OD2 : -0.613: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.598: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.596: 0
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -0.588: 0
: 1194:A 34 ILE CD1 :A 48 VAL 2HG2 : -0.584: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.559: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.554: 0
: 1194:A 3 LEU 3HD1 :A 51 LEU CD2 : -0.541: 0
: 1194:A 59 LEU 1HB :A 71 TRP CE2 : -0.536: 0
: 1194:A 51 LEU 1HD2 :A 3 LEU CD1 : -0.508: 0
: 1194:A 41 GLU O :A 45 GLY CA : -0.501: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA 3HB : -0.493: 0
: 1194:A 68 LEU CD2 :A 21 LEU HA : -0.488: 0
: 1194:A 49 PRO 1HB :A 61 TRP CE3 : -0.487: 0
: 1194:A 51 LEU 1HD2 :A 3 LEU 3HD1 : -0.480: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA 2HB : -0.474: 0
: 1194:A 53 ASP OD1 :A 57 ARG N : -0.472: 0
: 1194:A 34 ILE 1HD1 :A 48 VAL CG2 : -0.469: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.469: 0
: 1194:A 74 ALA 3HB :A 71 TRP O : -0.468: 0
: 1194:A 13 LEU HG :A 61 TRP CE2 : -0.460: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.458: 0
: 1194:A 48 VAL 2HG2 :A 34 ILE 3HD1 : -0.457: 0
: 1194:A 63 PHE CD1 :A 63 PHE N : -0.451: 0
: 1194:A 63 PHE CD2 :A 68 LEU 2HD1 : -0.450: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.449: 0
: 1194:A 61 TRP C :A 61 TRP CD2 : -0.447: 0
: 1194:A 49 PRO 1HG :A 61 TRP CG : -0.445: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.442: 0
: 1194:A 48 VAL CG2 :A 34 ILE 3HD1 : -0.430: 0
: 1194:A 71 TRP CD2 :A 59 LEU 1HB : -0.429: 0
: 1194:A 60 ASP O :A 61 TRP C : -0.427: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.426: 0
: 1194:A 49 PRO 1HG :A 61 TRP CD2 : -0.404: 0
: 1194:A 48 VAL 3HG2 :A 45 GLY O : -0.401: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.751: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.738: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.598: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.505: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.450: 0
: 1194:A 30 PHE CZ :A 1 MET N : -0.645: 0
: 1194:A 30 PHE CE1 :A 1 MET N : -0.471: 0
: 1194:A 58 GLU 1HG :A 52 ARG CG : -0.523: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.501: 0
: 1194:A 47 ARG 2HB :A 50 VAL CG2 : -0.406: 0
: 1194:A 14 CYS O :A 17 ALA 3HB : -0.483: 0
: 1194:A 9 ASP 1HB :A 8 ARG CZ : -0.450: 0
: 1194:A 8 ARG O :A 9 ASP C : -0.429: 0
: 1194:A 46 LEU N :A 44 TYR O : -0.443: 0
#sum2 ::44.39 clashscore : 44.39 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134811 potential dots:8426.0 A^2:53 bumps:53 bumps B<40:107.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 68 LEU 1HD1 :A 51 LEU 2HD1 : -0.914: 0
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -0.719: 0
: 1194:A 51 LEU CD1 :A 68 LEU 1HD1 : -0.670: 0
: 1194:A 59 LEU 2HD2 :A 71 TRP CE3 : -0.609: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.594: 0
: 1194:A 53 ASP OD2 :A 71 TRP CH2 : -0.590: 0
: 1194:A 71 TRP CD2 :A 59 LEU 2HD2 : -0.529: 0
: 1194:A 74 ALA 3HB :A 71 TRP O : -0.514: 0
: 1194:A 53 ASP CB :A 54 PRO CD : -0.460: 0
: 1194:A 59 LEU 1HB :A 71 TRP CE2 : -0.434: 0
: 1194:A 74 ALA O :A 75 ALA C : -0.434: 0
: 1194:A 73 ASP O :A 74 ALA C : -0.427: 0
: 1194:A 75 ALA N :A 76 PRO 2HD : -0.425: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CG : -0.417: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.835: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO 2HG : -0.825: 0
: 1194:A 34 ILE CD1 :A 48 VAL 2HG2 : -0.702: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO CG : -0.693: 0
: 1194:A 48 VAL 3HG2 :A 45 GLY O : -0.603: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.601: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.574: 0
: 1194:A 48 VAL 2HG2 :A 34 ILE 3HD1 : -0.546: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.532: 0
: 1194:A 41 GLU O :A 45 GLY CA : -0.513: 0
: 1194:A 50 VAL CG2 :A 47 ARG 2HB : -0.461: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.454: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.447: 0
: 1194:A 49 PRO 2HG :A 13 LEU CD2 : -0.434: 0
: 1194:A 34 ILE 1HD1 :A 48 VAL CG2 : -0.425: 0
: 1194:A 49 PRO 1HD :A 47 ARG C : -0.400: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.813: 0
: 1194:A 26 ALA 3HB :A 21 LEU 3HD2 : -0.523: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.742: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.596: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.503: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.452: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.674: 0
: 1194:A 3 LEU 1HD1 :A 72 LEU CD2 : -0.416: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.601: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.561: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.508: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.488: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.445: 0
: 1194:A 61 TRP CD2 :A 61 TRP C : -0.440: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.436: 0
: 1194:A 61 TRP O :A 63 PHE CZ : -0.430: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.415: 0
: 1194:A 63 PHE CE1 :A 61 TRP O : -0.413: 0
: 1194:A 37 ASP CB :A 40 LEU 2HD1 : -0.495: 0
: 1194:A 14 CYS O :A 17 ALA 3HB : -0.493: 0
: 1194:A 14 CYS CB :A 11 CYS SG : -0.400: 0
: 1194:A 35 ASP C :A 35 ASP OD1 : -0.449: 0
: 1194:A 46 LEU N :A 44 TYR O : -0.447: 0
: 1194:A 10 ASP C :A 9 ASP O : -0.447: 0
: 1194:A 6 TYR CE2 :A 44 TYR OH : -0.429: 0
: 1194:A 9 ASP O :A 8 ARG O : -0.404: 0
: 1194:A 57 ARG 2HB :A 57 ARG NH1 : -0.442: 0
#sum2 ::47.74 clashscore : 47.74 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134995 potential dots:8437.0 A^2:57 bumps:57 bumps B<40:114.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.937: 0
: 1194:A 51 LEU 3HD2 :A 68 LEU 1HD1 : -0.833: 0
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -0.827: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CG : -0.745: 0
: 1194:A 3 LEU 3HD2 :A 53 ASP HA : -0.573: 0
: 1194:A 59 LEU 2HD2 :A 71 TRP CE3 : -0.543: 0
: 1194:A 59 LEU 1HB :A 71 TRP CE2 : -0.516: 0
: 1194:A 71 TRP CD2 :A 59 LEU 2HD2 : -0.473: 0
: 1194:A 53 ASP OD1 :A 71 TRP CH2 : -0.448: 0
: 1194:A 52 ARG N :A 51 LEU 2HD1 : -0.407: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.793: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.522: 0
: 1194:A 50 VAL CG2 :A 47 ARG 2HB : -0.429: 0
: 1194:A 76 PRO 2HD :A 75 ALA 3HB : -0.786: 0
: 1194:A 75 ALA N :A 76 PRO CD : -0.556: 0
: 1194:A 76 PRO 1HD :A 73 ASP C : -0.429: 0
: 1194:A 75 ALA N :A 76 PRO 1HD : -0.425: 0
: 1194:A 75 ALA 3HB :A 76 PRO CD : -0.402: 0
: 1194:A 37 ASP CB :A 40 LEU 2HD1 : -0.750: 0
: 1194:A 40 LEU 2HD1 :A 37 ASP CG : -0.645: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.720: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.602: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.531: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.454: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.711: 0
: 1194:A 26 ALA 3HB :A 21 LEU 3HD2 : -0.645: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.600: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.577: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.548: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.548: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO 2HG : -0.538: 0
: 1194:A 34 ILE CD1 :A 48 VAL 2HG2 : -0.515: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.505: 0
: 1194:A 61 TRP O :A 63 PHE CZ : -0.486: 0
: 1194:A 17 ALA 2HB :A 61 TRP CZ3 : -0.481: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.470: 0
: 1194:A 41 GLU HA :A 34 ILE 2HD1 : -0.469: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.468: 0
: 1194:A 34 ILE 1HG1 :A 48 VAL 2HG2 : -0.465: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.465: 0
: 1194:A 63 PHE CE1 :A 61 TRP O : -0.461: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.447: 0
: 1194:A 61 TRP CD2 :A 61 TRP C : -0.447: 0
: 1194:A 13 LEU HG :A 61 TRP CZ2 : -0.433: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.420: 0
: 1194:A 34 ILE CG1 :A 48 VAL 2HG2 : -0.416: 0
: 1194:A 35 ASP O :A 36 ASP CB : -0.542: 0
: 1194:A 6 TYR CE2 :A 44 TYR OH : -0.505: 0
: 1194:A 46 LEU N :A 44 TYR O : -0.445: 0
: 1194:A 30 PHE CD2 :A 2 ALA 3HB : -0.499: 0
: 1194:A 2 ALA 3HB :A 30 PHE CE2 : -0.420: 0
: 1194:A 1 MET CG :A 1 MET O : -0.436: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.432: 0
: 1194:A 14 CYS O :A 18 VAL 3HG2 : -0.411: 0
: 1194:A 9 ASP O :A 10 ASP C : -0.407: 0
#sum2 ::46.06 clashscore : 46.06 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134932 potential dots:8433.0 A^2:55 bumps:55 bumps B<40:51.42 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 37 ASP 1HB :A 40 LEU 2HD1 : -0.889: 0
: 1194:A 37 ASP CB :A 40 LEU 2HD1 : -0.725: 0
: 1194:A 75 ALA 1HB :A 76 PRO 1HD : -0.885: 0
: 1194:A 76 PRO CD :A 75 ALA 1HB : -0.798: 0
: 1194:A 70 ALA O :A 74 ALA 2HB : -0.447: 0
: 1194:A 75 ALA N :A 73 ASP C : -0.447: 0
: 1194:A 76 PRO CD :A 75 ALA CB : -0.437: 0
: 1194:A 73 ASP O :A 74 ALA C : -0.421: 0
: 1194:A 75 ALA O :A 74 ALA C : -0.409: 0
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -0.839: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.721: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CG : -0.709: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.654: 0
: 1194:A 53 ASP OD1 :A 71 TRP CH2 : -0.596: 0
: 1194:A 21 LEU 1HD1 :A 51 LEU 1HD1 : -0.557: 0
: 1194:A 51 LEU 1HD1 :A 21 LEU CD1 : -0.549: 0
: 1194:A 51 LEU CD1 :A 68 LEU 1HD1 : -0.545: 0
: 1194:A 68 LEU 2HD1 :A 59 LEU CD2 : -0.488: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.487: 0
: 1194:A 51 LEU 1HD1 :A 21 LEU CG : -0.469: 0
: 1194:A 68 LEU 1HD1 :A 51 LEU 2HD1 : -0.465: 0
: 1194:A 59 LEU 1HB :A 71 TRP CE2 : -0.463: 0
: 1194:A 3 LEU 3HD2 :A 53 ASP HA : -0.460: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.458: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA 2HB : -0.434: 0
: 1194:A 63 PHE CD2 :A 68 LEU 2HD1 : -0.409: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA 3HB : -0.401: 0
: 1194:A 26 ALA CB :A 21 LEU CD2 : -0.401: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.817: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.541: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.761: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.580: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.491: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.443: 0
: 1194:A 64 ASP OD1 :A 64 ASP N : -0.408: 0
: 1194:A 61 TRP CE2 :A 13 LEU 1HD2 : -0.722: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.611: 0
: 1194:A 61 TRP CZ2 :A 13 LEU 1HD1 : -0.606: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.603: 0
: 1194:A 34 ILE CD1 :A 48 VAL 2HG2 : -0.583: 0
: 1194:A 48 VAL 3HG2 :A 45 GLY O : -0.583: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.559: 0
: 1194:A 41 GLU 1HG :A 34 ILE 2HD1 : -0.522: 0
: 1194:A 61 TRP CZ2 :A 13 LEU CG : -0.512: 0
: 1194:A 13 LEU CD2 :A 49 PRO 2HG : -0.501: 0
: 1194:A 13 LEU HG :A 61 TRP CZ2 : -0.501: 0
: 1194:A 61 TRP CZ2 :A 13 LEU CD1 : -0.487: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.478: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.446: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.445: 0
: 1194:A 61 TRP CD2 :A 61 TRP C : -0.439: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.437: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.432: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.411: 0
: 1194:A 41 GLU O :A 45 GLY CA : -0.406: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.605: 0
: 1194:A 32 VAL 3HG2 :A 4 THR 3HG2 : -0.542: 0
: 1194:A 52 ARG CD :A 4 THR HB : -0.523: 0
: 1194:A 52 ARG CG :A 4 THR HB : -0.503: 0
: 1194:A 54 PRO N :A 52 ARG NH2 : -0.465: 0
: 1194:A 4 THR CG2 :A 32 VAL CG2 : -0.461: 0
: 1194:A 4 THR 3HG2 :A 32 VAL CG2 : -0.440: 0
: 1194:A 52 ARG NH2 :A 54 PRO CA : -0.426: 0
: 1194:A 15 ASP CG :A 16 GLN N : -0.494: 0
: 1194:A 15 ASP OD1 :A 16 GLN N : -0.434: 0
: 1194:A 15 ASP OD1 :A 12 HIS O : -0.415: 0
: 1194:A 46 LEU N :A 44 TYR O : -0.459: 0
#sum2 ::56.11 clashscore : 56.11 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134853 potential dots:8428.0 A^2:67 bumps:67 bumps B<40:2.832 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.788: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.549: 0
: 1194:A 50 VAL CG2 :A 47 ARG 2HB : -0.410: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.701: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.607: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.521: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.473: 0
: 1194:A 21 LEU CD1 :A 5 LEU 2HD2 : -0.685: 0
: 1194:A 51 LEU 2HD2 :A 3 LEU 2HD2 : -0.619: 0
: 1194:A 3 LEU CD2 :A 53 ASP CG : -0.531: 0
: 1194:A 21 LEU 1HD1 :A 51 LEU 1HD1 : -0.510: 0
: 1194:A 51 LEU 1HD1 :A 21 LEU CG : -0.484: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.463: 0
: 1194:A 53 ASP CB :A 54 PRO CD : -0.462: 0
: 1194:A 26 ALA 2HB :A 21 LEU 3HD2 : -0.435: 0
: 1194:A 51 LEU 1HD1 :A 21 LEU CD1 : -0.433: 0
: 1194:A 53 ASP CG :A 54 PRO 1HD : -0.430: 0
: 1194:A 3 LEU 3HD2 :A 53 ASP CG : -0.425: 0
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -0.667: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.635: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.605: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.583: 0
: 1194:A 49 PRO 1HB :A 61 TRP CE3 : -0.573: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.550: 0
: 1194:A 48 VAL 3HG2 :A 45 GLY O : -0.543: 0
: 1194:A 61 TRP CZ2 :A 13 LEU CD1 : -0.542: 0
: 1194:A 59 LEU 1HB :A 71 TRP CE2 : -0.529: 0
: 1194:A 61 TRP O :A 63 PHE CZ : -0.527: 0
: 1194:A 17 ALA 2HB :A 61 TRP CZ3 : -0.503: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.500: 0
: 1194:A 63 PHE CE1 :A 61 TRP O : -0.469: 0
: 1194:A 63 PHE CD2 :A 68 LEU CD1 : -0.466: 0
: 1194:A 74 ALA 3HB :A 71 TRP O : -0.464: 0
: 1194:A 73 ASP C :A 75 ALA N : -0.459: 0
: 1194:A 41 GLU O :A 45 GLY CA : -0.454: 0
: 1194:A 41 GLU 1HG :A 34 ILE 2HD1 : -0.453: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.452: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.450: 0
: 1194:A 61 TRP CD2 :A 61 TRP C : -0.446: 0
: 1194:A 71 TRP CD2 :A 59 LEU 1HB : -0.445: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.442: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.438: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.429: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.424: 0
: 1194:A 74 ALA O :A 75 ALA C : -0.410: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.407: 0
: 1194:A 63 PHE CD2 :A 68 LEU 2HD1 : -0.403: 0
: 1194:A 34 ILE 3HD1 :A 48 VAL CG2 : -0.402: 0
: 1194:A 48 VAL HB :A 49 PRO 2HD : -0.402: 0
: 1194:A 37 ASP CB :A 40 LEU 2HD1 : -0.665: 0
: 1194:A 40 LEU 2HD1 :A 37 ASP CG : -0.429: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.653: 0
: 1194:A 52 ARG CG :A 4 THR HB : -0.549: 0
: 1194:A 35 ASP O :A 36 ASP CB : -0.529: 0
: 1194:A 2 ALA CB :A 30 PHE CE2 : -0.528: 0
: 1194:A 46 LEU N :A 44 TYR O : -0.454: 0
: 1194:A 56 GLY O :A 57 ARG CB : -0.405: 0
#sum2 ::47.74 clashscore : 47.74 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:135045 potential dots:8440.0 A^2:57 bumps:57 bumps B<40:41.13 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 21 LEU 1HD1 :A 51 LEU 1HD1 : -0.852: 0
: 1194:A 68 LEU 2HD1 :A 59 LEU 3HD1 : -0.723: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.720: 0
: 1194:A 71 TRP CE3 :A 59 LEU 2HD1 : -0.718: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.676: 0
: 1194:A 51 LEU 1HD1 :A 21 LEU CD1 : -0.667: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.602: 0
: 1194:A 34 ILE 1HG1 :A 48 VAL 3HG1 : -0.601: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO 2HG : -0.598: 0
: 1194:A 53 ASP OD2 :A 71 TRP CH2 : -0.598: 0
: 1194:A 71 TRP CZ2 :A 53 ASP OD2 : -0.591: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.589: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.568: 0
: 1194:A 41 GLU 1HG :A 34 ILE 2HD1 : -0.567: 0
: 1194:A 8 ARG HE :A 48 VAL 1HG2 : -0.558: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.544: 0
: 1194:A 41 GLU HA :A 34 ILE 2HD1 : -0.531: 0
: 1194:A 7 GLN HA :A 48 VAL 2HG1 : -0.528: 0
: 1194:A 59 LEU HG :A 71 TRP CD2 : -0.528: 0
: 1194:A 61 TRP CZ2 :A 13 LEU CD1 : -0.527: 0
: 1194:A 13 LEU CD2 :A 49 PRO 2HG : -0.517: 0
: 1194:A 51 LEU 1HD1 :A 21 LEU CG : -0.517: 0
: 1194:A 60 ASP H :A 59 LEU 3HD2 : -0.507: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.504: 0
: 1194:A 68 LEU 1HD1 :A 51 LEU 2HD1 : -0.489: 0
: 1194:A 9 ASP CB :A 8 ARG O : -0.484: 0
: 1194:A 59 LEU 1HD1 :A 68 LEU HA : -0.478: 0
: 1194:A 45 GLY O :A 48 VAL CG2 : -0.473: 0
: 1194:A 48 VAL HB :A 49 PRO 2HD : -0.469: 0
: 1194:A 53 ASP OD1 :A 57 ARG N : -0.460: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.459: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.450: 0
: 1194:A 63 PHE CE1 :A 61 TRP O : -0.445: 0
: 1194:A 60 ASP O :A 61 TRP C : -0.442: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.441: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.437: 0
: 1194:A 61 TRP C :A 61 TRP CD2 : -0.435: 0
: 1194:A 59 LEU HG :A 71 TRP CG : -0.433: 0
: 1194:A 49 PRO 1HD :A 47 ARG C : -0.430: 0
: 1194:A 50 VAL CG2 :A 47 ARG 2HB : -0.429: 0
: 1194:A 61 TRP CZ2 :A 13 LEU 2HD1 : -0.429: 0
: 1194:A 56 GLY C :A 57 ARG 1HG : -0.427: 0
: 1194:A 8 ARG O :A 8 ARG CG : -0.424: 0
: 1194:A 61 TRP C :A 61 TRP CE3 : -0.410: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.738: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.601: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.509: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.449: 0
: 1194:A 4 THR CG2 :A 32 VAL 1HG2 : -0.557: 0
: 1194:A 52 ARG CG :A 4 THR HB : -0.534: 0
: 1194:A 4 THR 3HG2 :A 32 VAL CG2 : -0.489: 0
: 1194:A 4 THR HG1 :A 3 LEU C : -0.462: 0
: 1194:A 4 THR CG2 :A 32 VAL CG2 : -0.452: 0
: 1194:A 70 ALA O :A 74 ALA 2HB : -0.541: 0
: 1194:A 74 ALA O :A 75 ALA C : -0.460: 0
: 1194:A 73 ASP O :A 74 ALA C : -0.435: 0
: 1194:A 75 ALA N :A 76 PRO 2HD : -0.418: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.477: 0
: 1194:A 24 ALA 1HB :A 69 ARG 1HB : -0.420: 0
: 1194:A 46 LEU N :A 44 TYR O : -0.453: 0
: 1194:A 14 CYS O :A 17 ALA 3HB : -0.433: 0
: 1194:A 11 CYS SG :A 12 HIS N : -0.406: 0
: 1194:A 11 CYS O :A 15 ASP CG : -0.400: 0
#sum2 ::52.76 clashscore : 52.76 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134775 potential dots:8423.0 A^2:63 bumps:63 bumps B<40:45.39 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 51 LEU 3HD2 :A 68 LEU 1HD1 : -0.903: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.893: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CG : -0.826: 0
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -0.728: 0
: 1194:A 53 ASP OD1 :A 71 TRP CH2 : -0.608: 0
: 1194:A 59 LEU 2HD2 :A 71 TRP CE3 : -0.582: 0
: 1194:A 52 ARG CG :A 4 THR HB : -0.562: 0
: 1194:A 52 ARG CD :A 4 THR HB : -0.532: 0
: 1194:A 59 LEU 1HB :A 71 TRP CE2 : -0.525: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.511: 0
: 1194:A 52 ARG N :A 51 LEU 2HD1 : -0.466: 0
: 1194:A 53 ASP OD1 :A 71 TRP CZ2 : -0.459: 0
: 1194:A 53 ASP OD2 :A 57 ARG N : -0.455: 0
: 1194:A 56 GLY C :A 57 ARG 1HG : -0.436: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.434: 0
: 1194:A 63 PHE CD2 :A 68 LEU 2HD1 : -0.430: 0
: 1194:A 71 TRP CD2 :A 59 LEU 1HB : -0.424: 0
: 1194:A 63 PHE CD2 :A 68 LEU CD1 : -0.420: 0
: 1194:A 76 PRO 2HD :A 75 ALA 3HB : -0.807: 0
: 1194:A 75 ALA N :A 76 PRO CD : -0.544: 0
: 1194:A 75 ALA 3HB :A 76 PRO CD : -0.445: 0
: 1194:A 76 PRO 1HD :A 73 ASP C : -0.436: 0
: 1194:A 75 ALA N :A 76 PRO 1HD : -0.417: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.789: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.559: 0
: 1194:A 50 VAL CG2 :A 47 ARG 2HB : -0.410: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.735: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.600: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.516: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.446: 0
: 1194:A 34 ILE 1HG1 :A 48 VAL 2HG2 : -0.715: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO 2HG : -0.685: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO CG : -0.652: 0
: 1194:A 61 TRP CZ2 :A 13 LEU CD1 : -0.646: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.596: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.557: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.533: 0
: 1194:A 34 ILE CG1 :A 48 VAL 2HG2 : -0.524: 0
: 1194:A 61 TRP CG :A 62 PRO 2HD : -0.524: 0
: 1194:A 7 GLN CB :A 14 CYS SG : -0.523: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.491: 0
: 1194:A 7 GLN HA :A 48 VAL 3HG1 : -0.484: 0
: 1194:A 61 TRP CD1 :A 62 PRO 2HD : -0.482: 0
: 1194:A 61 TRP CZ2 :A 13 LEU 2HD1 : -0.475: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.475: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.474: 0
: 1194:A 13 LEU CD2 :A 49 PRO 2HG : -0.472: 0
: 1194:A 61 TRP C :A 61 TRP CD2 : -0.468: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.465: 0
: 1194:A 41 GLU HA :A 34 ILE 2HD1 : -0.462: 0
: 1194:A 61 TRP CB :A 62 PRO CD : -0.455: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.452: 0
: 1194:A 18 VAL 3HG2 :A 14 CYS O : -0.449: 0
: 1194:A 34 ILE CG1 :A 8 ARG 1HG : -0.432: 0
: 1194:A 8 ARG O :A 9 ASP C : -0.407: 0
: 1194:A 12 HIS ND1 :A 13 LEU N : -0.403: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.684: 0
: 1194:A 3 LEU 1HD1 :A 72 LEU CD2 : -0.429: 0
: 1194:A 26 ALA 2HB :A 21 LEU 3HD2 : -0.579: 0
: 1194:A 26 ALA CB :A 21 LEU CD2 : -0.549: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.524: 0
: 1194:A 35 ASP O :A 36 ASP CB : -0.543: 0
: 1194:A 35 ASP OD1 :A 35 ASP C : -0.414: 0
: 1194:A 44 TYR O :A 46 LEU N : -0.441: 0
: 1194:A 77 HIS O :A 78 ALA C : -0.431: 0
: 1194:A 37 ASP CB :A 40 LEU 2HD1 : -0.427: 0
: 1194:A 70 ALA O :A 74 ALA 2HB : -0.427: 0
#sum2 ::56.11 clashscore : 56.11 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:135018 potential dots:8439.0 A^2:67 bumps:67 bumps B<40:46.32 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 51 LEU 3HD2 :A 68 LEU 1HD1 : -0.950: 0
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -0.905: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.722: 0
: 1194:A 52 ARG O :A 3 LEU 3HD2 : -0.701: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.699: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.608: 0
: 1194:A 3 LEU 1HD1 :A 72 LEU 2HD2 : -0.593: 0
: 1194:A 74 ALA 3HB :A 71 TRP O : -0.582: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.570: 0
: 1194:A 52 ARG CG :A 4 THR HB : -0.544: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.542: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.530: 0
: 1194:A 24 ALA 2HB :A 65 ALA HA : -0.503: 0
: 1194:A 52 ARG CD :A 4 THR HB : -0.485: 0
: 1194:A 21 LEU 1HD2 :A 51 LEU 1HD2 : -0.474: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CG : -0.471: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.464: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.460: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.458: 0
: 1194:A 52 ARG N :A 51 LEU 2HD1 : -0.454: 0
: 1194:A 64 ASP O :A 68 LEU CB : -0.451: 0
: 1194:A 3 LEU 1HD1 :A 72 LEU CD2 : -0.448: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA 2HB : -0.444: 0
: 1194:A 63 PHE CD2 :A 68 LEU CD1 : -0.427: 0
: 1194:A 58 GLU HA :A 51 LEU O : -0.420: 0
: 1194:A 68 LEU 1HB :A 64 ASP O : -0.413: 0
: 1194:A 52 ARG NE :A 4 THR HB : -0.410: 0
: 1194:A 65 ALA 2HB :A 23 GLN 2HB : -0.407: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO 2HG : -0.846: 0
: 1194:A 48 VAL 1HG2 :A 8 ARG 2HB : -0.761: 0
: 1194:A 61 TRP CZ2 :A 13 LEU CD1 : -0.745: 0
: 1194:A 13 LEU 3HD2 :A 49 PRO CG : -0.726: 0
: 1194:A 61 TRP CZ2 :A 13 LEU 1HD1 : -0.722: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.604: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.593: 0
: 1194:A 13 LEU 1HD1 :A 61 TRP CE2 : -0.556: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.556: 0
: 1194:A 44 TYR CZ :A 6 TYR CE2 : -0.540: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.540: 0
: 1194:A 44 TYR OH :A 6 TYR CE2 : -0.516: 0
: 1194:A 41 GLU HA :A 34 ILE 2HD1 : -0.510: 0
: 1194:A 49 PRO 2HG :A 13 LEU CD2 : -0.481: 0
: 1194:A 61 TRP C :A 61 TRP CD2 : -0.476: 0
: 1194:A 41 GLU O :A 45 GLY CA : -0.475: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.471: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.467: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.460: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.449: 0
: 1194:A 46 LEU N :A 44 TYR O : -0.424: 0
: 1194:A 48 VAL CG2 :A 34 ILE 3HD1 : -0.420: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.417: 0
: 1194:A 44 TYR CE2 :A 6 TYR CE2 : -0.408: 0
: 1194:A 48 VAL O :A 6 TYR O : -0.405: 0
: 1194:A 33 PHE CE2 :A 7 GLN NE2 : -0.633: 0
: 1194:A 7 GLN NE2 :A 33 PHE CZ : -0.566: 0
: 1194:A 7 GLN NE2 :A 31 SER 1HB : -0.424: 0
: 1194:A 18 VAL 3HG2 :A 14 CYS O : -0.632: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.567: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.427: 0
: 1194:A 75 ALA 1HB :A 76 PRO 1HD : -0.560: 0
: 1194:A 76 PRO 1HG :A 77 HIS CE1 : -0.497: 0
: 1194:A 77 HIS C :A 76 PRO O : -0.461: 0
: 1194:A 55 MET 2HG :A 76 PRO CD : -0.423: 0
: 1194:A 75 ALA 1HB :A 76 PRO CD : -0.419: 0
: 1194:A 35 ASP O :A 36 ASP CB : -0.531: 0
: 1194:A 53 ASP CB :A 54 PRO CD : -0.440: 0
: 1194:A 37 ASP CB :A 40 LEU 2HD1 : -0.414: 0
#sum2 ::56.11 clashscore : 56.11 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134813 potential dots:8426.0 A^2:67 bumps:67 bumps B<40:50.66 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1194:A 59 LEU 3HD1 :A 71 TRP CD1 : -0.893: 0
: 1194:A 59 LEU 3HD1 :A 71 TRP CG : -0.637: 0
: 1194:A 53 ASP OD1 :A 3 LEU CD2 : -0.540: 0
: 1194:A 59 LEU 1HB :A 71 TRP CE2 : -0.531: 0
: 1194:A 59 LEU 3HD2 :A 68 LEU 2HD1 : -0.529: 0
: 1194:A 53 ASP OD2 :A 71 TRP CH2 : -0.507: 0
: 1194:A 56 GLY O :A 57 ARG CB : -0.466: 0
: 1194:A 56 GLY C :A 57 ARG CG : -0.445: 0
: 1194:A 53 ASP CG :A 57 ARG O : -0.443: 0
: 1194:A 76 PRO 2HD :A 75 ALA 3HB : -0.889: 0
: 1194:A 75 ALA 3HB :A 76 PRO CD : -0.517: 0
: 1194:A 75 ALA N :A 76 PRO CD : -0.497: 0
: 1194:A 74 ALA O :A 75 ALA C : -0.459: 0
: 1194:A 76 PRO 2HD :A 75 ALA CB : -0.422: 0
: 1194:A 74 ALA 2HB :A 70 ALA O : -0.411: 0
: 1194:A 76 PRO 1HD :A 73 ASP C : -0.407: 0
: 1194:A 50 VAL 3HG2 :A 47 ARG O : -0.727: 0
: 1194:A 47 ARG O :A 50 VAL CG2 : -0.543: 0
: 1194:A 50 VAL CG2 :A 47 ARG 2HB : -0.401: 0
: 1194:A 21 LEU 1HD1 :A 51 LEU 1HD1 : -0.713: 0
: 1194:A 26 ALA 2HB :A 21 LEU 3HD2 : -0.554: 0
: 1194:A 21 LEU 3HD2 :A 26 ALA CB : -0.520: 0
: 1194:A 26 ALA CB :A 21 LEU CD2 : -0.504: 0
: 1194:A 58 GLU HA :A 51 LEU O : -0.424: 0
: 1194:A 51 LEU 1HD1 :A 21 LEU CD1 : -0.410: 0
: 1194:A 65 ALA 3HB :A 66 PRO 2HD : -0.704: 0
: 1194:A 65 ALA N :A 66 PRO CD : -0.610: 0
: 1194:A 66 PRO 1HD :A 64 ASP CB : -0.521: 0
: 1194:A 65 ALA N :A 66 PRO 1HD : -0.467: 0
: 1194:A 2 ALA 3HB :A 30 PHE CE2 : -0.674: 0
: 1194:A 49 PRO CD :A 48 VAL N : -0.604: 0
: 1194:A 61 TRP O :A 61 TRP CE3 : -0.600: 0
: 1194:A 61 TRP O :A 63 PHE CZ : -0.590: 0
: 1194:A 49 PRO 1HB :A 61 TRP CE3 : -0.577: 0
: 1194:A 62 PRO CD :A 61 TRP N : -0.564: 0
: 1194:A 63 PHE CD2 :A 60 ASP O : -0.549: 0
: 1194:A 14 CYS O :A 17 ALA 3HB : -0.544: 0
: 1194:A 34 ILE CD1 :A 48 VAL CG2 : -0.517: 0
: 1194:A 61 TRP CZ2 :A 13 LEU CD1 : -0.502: 0
: 1194:A 63 PHE CE1 :A 61 TRP O : -0.496: 0
: 1194:A 17 ALA 2HB :A 61 TRP CZ3 : -0.494: 0
: 1194:A 49 PRO 1HD :A 48 VAL N : -0.479: 0
: 1194:A 61 TRP CD2 :A 61 TRP C : -0.464: 0
: 1194:A 61 TRP HZ3 :A 17 ALA 2HB : -0.456: 0
: 1194:A 7 GLN HA :A 48 VAL 3HG1 : -0.452: 0
: 1194:A 61 TRP CE3 :A 61 TRP C : -0.452: 0
: 1194:A 61 TRP CB :A 62 PRO 2HD : -0.448: 0
: 1194:A 34 ILE CD1 :A 48 VAL 2HG2 : -0.446: 0
: 1194:A 45 GLY N :A 41 GLU O : -0.446: 0
: 1194:A 61 TRP O :A 63 PHE CE2 : -0.442: 0
: 1194:A 41 GLU HA :A 34 ILE 2HD1 : -0.441: 0
: 1194:A 63 PHE N :A 63 PHE CD1 : -0.441: 0
: 1194:A 34 ILE 1HG1 :A 48 VAL 2HG2 : -0.430: 0
: 1194:A 62 PRO 1HD :A 61 TRP N : -0.426: 0
: 1194:A 41 GLU O :A 45 GLY CA : -0.420: 0
: 1194:A 35 ASP O :A 36 ASP CB : -0.523: 0
: 1194:A 35 ASP OD1 :A 35 ASP C : -0.419: 0
: 1194:A 52 ARG CG :A 4 THR HB : -0.494: 0
: 1194:A 46 LEU N :A 44 TYR O : -0.444: 0
: 1194:A 72 LEU 2HD1 :A 69 ARG HA : -0.406: 0
#sum2 ::50.25 clashscore : 50.25 clashscore B<40
#summary::1194 atoms:1194 atoms B<40:134980 potential dots:8436.0 A^2:60 bumps:60 bumps B<40:35.53 score
Output from PDB validation software
Summary from PDB validation
Jun. 5, 14:52:04 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 O HIS 12 - A H GLN 16 12 Dist = 1.52
A O GLU 19 - A H GLN 23 2 Dist = 1.55
A O LEU 40 - A H TYR 44 12 Dist = 1.55
A O THR 4 - A H ARG 52 13 Dist = 1.57
A O LEU 72 - A H ALA 75 19 Dist = 1.58
A O LEU 40 - A H TYR 44 11 Dist = 1.58
A O LEU 40 - A H TYR 44 9 Dist = 1.59
A O ALA 38 - A H SER 42 8 Dist = 1.59
A O ALA 38 - A H SER 42 7 Dist = 1.60
A H ASP 53 - A O ARG 57 4 Dist = 1.60
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.012 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 1.5 degrees.
All covalent bond angles lie within a 6.0*RMSD range about the
standard dictionary values.
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A GLN 7 1HE2
1 A GLN 7 2HE2
1 A GLN 16 1HE2
1 A GLN 16 2HE2
1 A GLN 23 1HE2
1 A GLN 23 2HE2
2 A GLN 7 1HE2
2 A GLN 7 2HE2
2 A GLN 16 1HE2
2 A GLN 16 2HE2
2 A GLN 23 1HE2
2 A GLN 23 2HE2
3 A GLN 7 1HE2
3 A GLN 7 2HE2
3 A GLN 16 1HE2
3 A GLN 16 2HE2
3 A GLN 23 1HE2
3 A GLN 23 2HE2
4 A GLN 7 1HE2
4 A GLN 7 2HE2
4 A GLN 16 1HE2
4 A GLN 16 2HE2
4 A GLN 23 1HE2
4 A GLN 23 2HE2
5 A GLN 7 1HE2
5 A GLN 7 2HE2
5 A GLN 16 1HE2
5 A GLN 16 2HE2
5 A GLN 23 1HE2
5 A GLN 23 2HE2
6 A GLN 7 1HE2
6 A GLN 7 2HE2
6 A GLN 16 1HE2
6 A GLN 16 2HE2
6 A GLN 23 1HE2
6 A GLN 23 2HE2
7 A GLN 7 1HE2
7 A GLN 7 2HE2
7 A GLN 16 1HE2
7 A GLN 16 2HE2
7 A GLN 23 1HE2
7 A GLN 23 2HE2
8 A GLN 7 1HE2
8 A GLN 7 2HE2
8 A GLN 16 1HE2
8 A GLN 16 2HE2
8 A GLN 23 1HE2
8 A GLN 23 2HE2
9 A GLN 7 1HE2
9 A GLN 7 2HE2
9 A GLN 16 1HE2
9 A GLN 16 2HE2
9 A GLN 23 1HE2
9 A GLN 23 2HE2
10 A GLN 7 1HE2
10 A GLN 7 2HE2
10 A GLN 16 1HE2
10 A GLN 16 2HE2
10 A GLN 23 1HE2
10 A GLN 23 2HE2
11 A GLN 7 1HE2
11 A GLN 7 2HE2
11 A GLN 16 1HE2
11 A GLN 16 2HE2
11 A GLN 23 1HE2
11 A GLN 23 2HE2
12 A GLN 7 1HE2
12 A GLN 7 2HE2
12 A GLN 16 1HE2
12 A GLN 16 2HE2
12 A GLN 23 1HE2
12 A GLN 23 2HE2
13 A GLN 7 1HE2
13 A GLN 7 2HE2
13 A GLN 16 1HE2
13 A GLN 16 2HE2
13 A GLN 23 1HE2
13 A GLN 23 2HE2
14 A GLN 7 1HE2
14 A GLN 7 2HE2
14 A GLN 16 1HE2
14 A GLN 16 2HE2
14 A GLN 23 1HE2
14 A GLN 23 2HE2
15 A GLN 7 1HE2
15 A GLN 7 2HE2
15 A GLN 16 1HE2
15 A GLN 16 2HE2
15 A GLN 23 1HE2
15 A GLN 23 2HE2
16 A GLN 7 1HE2
16 A GLN 7 2HE2
16 A GLN 16 1HE2
16 A GLN 16 2HE2
16 A GLN 23 1HE2
16 A GLN 23 2HE2
17 A GLN 7 1HE2
17 A GLN 7 2HE2
17 A GLN 16 1HE2
17 A GLN 16 2HE2
17 A GLN 23 1HE2
17 A GLN 23 2HE2
18 A GLN 7 1HE2
18 A GLN 7 2HE2
18 A GLN 16 1HE2
18 A GLN 16 2HE2
18 A GLN 23 1HE2
18 A GLN 23 2HE2
19 A GLN 7 1HE2
19 A GLN 7 2HE2
19 A GLN 16 1HE2
19 A GLN 16 2HE2
19 A GLN 23 1HE2
19 A GLN 23 2HE2
20 A GLN 7 1HE2
20 A GLN 7 2HE2
20 A GLN 16 1HE2
20 A GLN 16 2HE2
20 A GLN 23 1HE2
20 A GLN 23 2HE2
OTHER IMPORTANT ISSUES
==> The following residues are missing:
(Note: The SEQ number starts from 1 for each chain according to SEQRES
sequence record.)
RES MOD#C SEQ
MET( 1 A -77 )
ALA( 1 A -76 )
LEU( 1 A -75 )
THR( 1 A -74 )
LEU( 1 A -73 )
TYR( 1 A -72 )
GLN( 1 A -71 )
ARG( 1 A -70 )
ASP( 1 A -69 )
ASP( 1 A -68 )
CYS( 1 A -67 )
HIS( 1 A -66 )
LEU( 1 A -65 )
CYS( 1 A -64 )
ASP( 1 A -63 )
GLN( 1 A -62 )
ALA( 1 A -61 )
VAL( 1 A -60 )
GLU( 1 A -59 )
ALA( 1 A -58 )
LEU( 1 A -57 )
ALA( 1 A -56 )
GLN( 1 A -55 )
ALA( 1 A -54 )
ARG( 1 A -53 )
ALA( 1 A -52 )
GLY( 1 A -51 )
ALA( 1 A -50 )
PHE( 1 A -49 )
PHE( 1 A -48 )
SER( 1 A -47 )
VAL( 1 A -46 )
PHE( 1 A -45 )
ILE( 1 A -44 )
ASP( 1 A -43 )
ASP( 1 A -42 )
ASP( 1 A -41 )
ALA( 1 A -40 )
ALA( 1 A -39 )
LEU( 1 A -38 )
GLU( 1 A -37 )
SER( 1 A -36 )
ALA( 1 A -35 )
TYR( 1 A -34 )
GLY( 1 A -33 )
LEU( 1 A -32 )
ARG( 1 A -31 )
VAL( 1 A -30 )
PRO( 1 A -29 )
VAL( 1 A -28 )
LEU( 1 A -27 )
ARG( 1 A -26 )
ASP( 1 A -25 )
PRO( 1 A -24 )
MET( 1 A -23 )
GLY( 1 A -22 )
ARG( 1 A -21 )
GLU( 1 A -20 )
LEU( 1 A -19 )
ASP( 1 A -18 )
TRP( 1 A -17 )
PRO( 1 A -16 )
PHE( 1 A -15 )
ASP( 1 A -14 )
ALA( 1 A -13 )
PRO( 1 A -12 )
ARG( 1 A -11 )
LEU( 1 A -10 )
ARG( 1 A -9 )
ALA( 1 A -8 )
TRP( 1 A -7 )
LEU( 1 A -6 )
ASP( 1 A -5 )
ALA( 1 A -4 )
ALA( 1 A -3 )
PRO( 1 A -2 )
HIS( 1 A -1 )
ALA( 1 A 0 )
MET( 2 A -77 )
ALA( 2 A -76 )
LEU( 2 A -75 )
THR( 2 A -74 )
LEU( 2 A -73 )
TYR( 2 A -72 )
GLN( 2 A -71 )
ARG( 2 A -70 )
ASP( 2 A -69 )
ASP( 2 A -68 )
CYS( 2 A -67 )
HIS( 2 A -66 )
LEU( 2 A -65 )
CYS( 2 A -64 )
ASP( 2 A -63 )
GLN( 2 A -62 )
ALA( 2 A -61 )
VAL( 2 A -60 )
GLU( 2 A -59 )
ALA( 2 A -58 )
LEU( 2 A -57 )
ALA( 2 A -56 )
GLN( 2 A -55 )
ALA( 2 A -54 )
ARG( 2 A -53 )
ALA( 2 A -52 )
GLY( 2 A -51 )
ALA( 2 A -50 )
PHE( 2 A -49 )
PHE( 2 A -48 )
SER( 2 A -47 )
VAL( 2 A -46 )
PHE( 2 A -45 )
ILE( 2 A -44 )
ASP( 2 A -43 )
ASP( 2 A -42 )
ASP( 2 A -41 )
ALA( 2 A -40 )
ALA( 2 A -39 )
LEU( 2 A -38 )
GLU( 2 A -37 )
SER( 2 A -36 )
ALA( 2 A -35 )
TYR( 2 A -34 )
GLY( 2 A -33 )
LEU( 2 A -32 )
ARG( 2 A -31 )
VAL( 2 A -30 )
PRO( 2 A -29 )
VAL( 2 A -28 )
LEU( 2 A -27 )
ARG( 2 A -26 )
ASP( 2 A -25 )
PRO( 2 A -24 )
MET( 2 A -23 )
GLY( 2 A -22 )
ARG( 2 A -21 )
GLU( 2 A -20 )
LEU( 2 A -19 )
ASP( 2 A -18 )
TRP( 2 A -17 )
PRO( 2 A -16 )
PHE( 2 A -15 )
ASP( 2 A -14 )
ALA( 2 A -13 )
PRO( 2 A -12 )
ARG( 2 A -11 )
LEU( 2 A -10 )
ARG( 2 A -9 )
ALA( 2 A -8 )
TRP( 2 A -7 )
LEU( 2 A -6 )
ASP( 2 A -5 )
ALA( 2 A -4 )
ALA( 2 A -3 )
PRO( 2 A -2 )
HIS( 2 A -1 )
ALA( 2 A 0 )
MET( 3 A -77 )
ALA( 3 A -76 )
LEU( 3 A -75 )
THR( 3 A -74 )
LEU( 3 A -73 )
TYR( 3 A -72 )
GLN( 3 A -71 )
ARG( 3 A -70 )
ASP( 3 A -69 )
ASP( 3 A -68 )
CYS( 3 A -67 )
HIS( 3 A -66 )
LEU( 3 A -65 )
CYS( 3 A -64 )
ASP( 3 A -63 )
GLN( 3 A -62 )
ALA( 3 A -61 )
VAL( 3 A -60 )
GLU( 3 A -59 )
ALA( 3 A -58 )
LEU( 3 A -57 )
ALA( 3 A -56 )
GLN( 3 A -55 )
ALA( 3 A -54 )
ARG( 3 A -53 )
ALA( 3 A -52 )
GLY( 3 A -51 )
ALA( 3 A -50 )
PHE( 3 A -49 )
PHE( 3 A -48 )
SER( 3 A -47 )
VAL( 3 A -46 )
PHE( 3 A -45 )
ILE( 3 A -44 )
ASP( 3 A -43 )
ASP( 3 A -42 )
ASP( 3 A -41 )
ALA( 3 A -40 )
ALA( 3 A -39 )
LEU( 3 A -38 )
GLU( 3 A -37 )
SER( 3 A -36 )
ALA( 3 A -35 )
TYR( 3 A -34 )
GLY( 3 A -33 )
LEU( 3 A -32 )
ARG( 3 A -31 )
VAL( 3 A -30 )
PRO( 3 A -29 )
VAL( 3 A -28 )
LEU( 3 A -27 )
ARG( 3 A -26 )
ASP( 3 A -25 )
PRO( 3 A -24 )
MET( 3 A -23 )
GLY( 3 A -22 )
ARG( 3 A -21 )
GLU( 3 A -20 )
LEU( 3 A -19 )
ASP( 3 A -18 )
TRP( 3 A -17 )
PRO( 3 A -16 )
PHE( 3 A -15 )
ASP( 3 A -14 )
ALA( 3 A -13 )
PRO( 3 A -12 )
ARG( 3 A -11 )
LEU( 3 A -10 )
ARG( 3 A -9 )
ALA( 3 A -8 )
TRP( 3 A -7 )
LEU( 3 A -6 )
ASP( 3 A -5 )
ALA( 3 A -4 )
ALA( 3 A -3 )
PRO( 3 A -2 )
HIS( 3 A -1 )
ALA( 3 A 0 )
MET( 4 A -77 )
ALA( 4 A -76 )
LEU( 4 A -75 )
THR( 4 A -74 )
LEU( 4 A -73 )
TYR( 4 A -72 )
GLN( 4 A -71 )
ARG( 4 A -70 )
ASP( 4 A -69 )
ASP( 4 A -68 )
CYS( 4 A -67 )
HIS( 4 A -66 )
LEU( 4 A -65 )
CYS( 4 A -64 )
ASP( 4 A -63 )
GLN( 4 A -62 )
ALA( 4 A -61 )
VAL( 4 A -60 )
GLU( 4 A -59 )
ALA( 4 A -58 )
LEU( 4 A -57 )
ALA( 4 A -56 )
GLN( 4 A -55 )
ALA( 4 A -54 )
ARG( 4 A -53 )
ALA( 4 A -52 )
GLY( 4 A -51 )
ALA( 4 A -50 )
PHE( 4 A -49 )
PHE( 4 A -48 )
SER( 4 A -47 )
VAL( 4 A -46 )
PHE( 4 A -45 )
ILE( 4 A -44 )
ASP( 4 A -43 )
ASP( 4 A -42 )
ASP( 4 A -41 )
ALA( 4 A -40 )
ALA( 4 A -39 )
LEU( 4 A -38 )
GLU( 4 A -37 )
SER( 4 A -36 )
ALA( 4 A -35 )
TYR( 4 A -34 )
GLY( 4 A -33 )
LEU( 4 A -32 )
ARG( 4 A -31 )
VAL( 4 A -30 )
PRO( 4 A -29 )
VAL( 4 A -28 )
LEU( 4 A -27 )
ARG( 4 A -26 )
ASP( 4 A -25 )
PRO( 4 A -24 )
MET( 4 A -23 )
GLY( 4 A -22 )
ARG( 4 A -21 )
GLU( 4 A -20 )
LEU( 4 A -19 )
ASP( 4 A -18 )
TRP( 4 A -17 )
PRO( 4 A -16 )
PHE( 4 A -15 )
ASP( 4 A -14 )
ALA( 4 A -13 )
PRO( 4 A -12 )
ARG( 4 A -11 )
LEU( 4 A -10 )
ARG( 4 A -9 )
ALA( 4 A -8 )
TRP( 4 A -7 )
LEU( 4 A -6 )
ASP( 4 A -5 )
ALA( 4 A -4 )
ALA( 4 A -3 )
PRO( 4 A -2 )
HIS( 4 A -1 )
ALA( 4 A 0 )
MET( 5 A -77 )
ALA( 5 A -76 )
LEU( 5 A -75 )
THR( 5 A -74 )
LEU( 5 A -73 )
TYR( 5 A -72 )
GLN( 5 A -71 )
ARG( 5 A -70 )
ASP( 5 A -69 )
ASP( 5 A -68 )
CYS( 5 A -67 )
HIS( 5 A -66 )
LEU( 5 A -65 )
CYS( 5 A -64 )
ASP( 5 A -63 )
GLN( 5 A -62 )
ALA( 5 A -61 )
VAL( 5 A -60 )
GLU( 5 A -59 )
ALA( 5 A -58 )
LEU( 5 A -57 )
ALA( 5 A -56 )
GLN( 5 A -55 )
ALA( 5 A -54 )
ARG( 5 A -53 )
ALA( 5 A -52 )
GLY( 5 A -51 )
ALA( 5 A -50 )
PHE( 5 A -49 )
PHE( 5 A -48 )
SER( 5 A -47 )
VAL( 5 A -46 )
PHE( 5 A -45 )
ILE( 5 A -44 )
ASP( 5 A -43 )
ASP( 5 A -42 )
ASP( 5 A -41 )
ALA( 5 A -40 )
ALA( 5 A -39 )
LEU( 5 A -38 )
GLU( 5 A -37 )
SER( 5 A -36 )
ALA( 5 A -35 )
TYR( 5 A -34 )
GLY( 5 A -33 )
LEU( 5 A -32 )
ARG( 5 A -31 )
VAL( 5 A -30 )
PRO( 5 A -29 )
VAL( 5 A -28 )
LEU( 5 A -27 )
ARG( 5 A -26 )
ASP( 5 A -25 )
PRO( 5 A -24 )
MET( 5 A -23 )
GLY( 5 A -22 )
ARG( 5 A -21 )
GLU( 5 A -20 )
LEU( 5 A -19 )
ASP( 5 A -18 )
TRP( 5 A -17 )
PRO( 5 A -16 )
PHE( 5 A -15 )
ASP( 5 A -14 )
ALA( 5 A -13 )
PRO( 5 A -12 )
ARG( 5 A -11 )
LEU( 5 A -10 )
ARG( 5 A -9 )
ALA( 5 A -8 )
TRP( 5 A -7 )
LEU( 5 A -6 )
ASP( 5 A -5 )
ALA( 5 A -4 )
ALA( 5 A -3 )
PRO( 5 A -2 )
HIS( 5 A -1 )
ALA( 5 A 0 )
MET( 6 A -77 )
ALA( 6 A -76 )
LEU( 6 A -75 )
THR( 6 A -74 )
LEU( 6 A -73 )
TYR( 6 A -72 )
GLN( 6 A -71 )
ARG( 6 A -70 )
ASP( 6 A -69 )
ASP( 6 A -68 )
CYS( 6 A -67 )
HIS( 6 A -66 )
LEU( 6 A -65 )
CYS( 6 A -64 )
ASP( 6 A -63 )
GLN( 6 A -62 )
ALA( 6 A -61 )
VAL( 6 A -60 )
GLU( 6 A -59 )
ALA( 6 A -58 )
LEU( 6 A -57 )
ALA( 6 A -56 )
GLN( 6 A -55 )
ALA( 6 A -54 )
ARG( 6 A -53 )
ALA( 6 A -52 )
GLY( 6 A -51 )
ALA( 6 A -50 )
PHE( 6 A -49 )
PHE( 6 A -48 )
SER( 6 A -47 )
VAL( 6 A -46 )
PHE( 6 A -45 )
ILE( 6 A -44 )
ASP( 6 A -43 )
ASP( 6 A -42 )
ASP( 6 A -41 )
ALA( 6 A -40 )
ALA( 6 A -39 )
LEU( 6 A -38 )
GLU( 6 A -37 )
SER( 6 A -36 )
ALA( 6 A -35 )
TYR( 6 A -34 )
GLY( 6 A -33 )
LEU( 6 A -32 )
ARG( 6 A -31 )
VAL( 6 A -30 )
PRO( 6 A -29 )
VAL( 6 A -28 )
LEU( 6 A -27 )
ARG( 6 A -26 )
ASP( 6 A -25 )
PRO( 6 A -24 )
MET( 6 A -23 )
GLY( 6 A -22 )
ARG( 6 A -21 )
GLU( 6 A -20 )
LEU( 6 A -19 )
ASP( 6 A -18 )
TRP( 6 A -17 )
PRO( 6 A -16 )
PHE( 6 A -15 )
ASP( 6 A -14 )
ALA( 6 A -13 )
PRO( 6 A -12 )
ARG( 6 A -11 )
LEU( 6 A -10 )
ARG( 6 A -9 )
ALA( 6 A -8 )
TRP( 6 A -7 )
LEU( 6 A -6 )
ASP( 6 A -5 )
ALA( 6 A -4 )
ALA( 6 A -3 )
PRO( 6 A -2 )
HIS( 6 A -1 )
ALA( 6 A 0 )
MET( 7 A -77 )
ALA( 7 A -76 )
LEU( 7 A -75 )
THR( 7 A -74 )
LEU( 7 A -73 )
TYR( 7 A -72 )
GLN( 7 A -71 )
ARG( 7 A -70 )
ASP( 7 A -69 )
ASP( 7 A -68 )
CYS( 7 A -67 )
HIS( 7 A -66 )
LEU( 7 A -65 )
CYS( 7 A -64 )
ASP( 7 A -63 )
GLN( 7 A -62 )
ALA( 7 A -61 )
VAL( 7 A -60 )
GLU( 7 A -59 )
ALA( 7 A -58 )
LEU( 7 A -57 )
ALA( 7 A -56 )
GLN( 7 A -55 )
ALA( 7 A -54 )
ARG( 7 A -53 )
ALA( 7 A -52 )
GLY( 7 A -51 )
ALA( 7 A -50 )
PHE( 7 A -49 )
PHE( 7 A -48 )
SER( 7 A -47 )
VAL( 7 A -46 )
PHE( 7 A -45 )
ILE( 7 A -44 )
ASP( 7 A -43 )
ASP( 7 A -42 )
ASP( 7 A -41 )
ALA( 7 A -40 )
ALA( 7 A -39 )
LEU( 7 A -38 )
GLU( 7 A -37 )
SER( 7 A -36 )
ALA( 7 A -35 )
TYR( 7 A -34 )
GLY( 7 A -33 )
LEU( 7 A -32 )
ARG( 7 A -31 )
VAL( 7 A -30 )
PRO( 7 A -29 )
VAL( 7 A -28 )
LEU( 7 A -27 )
ARG( 7 A -26 )
ASP( 7 A -25 )
PRO( 7 A -24 )
MET( 7 A -23 )
GLY( 7 A -22 )
ARG( 7 A -21 )
GLU( 7 A -20 )
LEU( 7 A -19 )
ASP( 7 A -18 )
TRP( 7 A -17 )
PRO( 7 A -16 )
PHE( 7 A -15 )
ASP( 7 A -14 )
ALA( 7 A -13 )
PRO( 7 A -12 )
ARG( 7 A -11 )
LEU( 7 A -10 )
ARG( 7 A -9 )
ALA( 7 A -8 )
TRP( 7 A -7 )
LEU( 7 A -6 )
ASP( 7 A -5 )
ALA( 7 A -4 )
ALA( 7 A -3 )
PRO( 7 A -2 )
HIS( 7 A -1 )
ALA( 7 A 0 )
MET( 8 A -77 )
ALA( 8 A -76 )
LEU( 8 A -75 )
THR( 8 A -74 )
LEU( 8 A -73 )
TYR( 8 A -72 )
GLN( 8 A -71 )
ARG( 8 A -70 )
ASP( 8 A -69 )
ASP( 8 A -68 )
CYS( 8 A -67 )
HIS( 8 A -66 )
LEU( 8 A -65 )
CYS( 8 A -64 )
ASP( 8 A -63 )
GLN( 8 A -62 )
ALA( 8 A -61 )
VAL( 8 A -60 )
GLU( 8 A -59 )
ALA( 8 A -58 )
LEU( 8 A -57 )
ALA( 8 A -56 )
GLN( 8 A -55 )
ALA( 8 A -54 )
ARG( 8 A -53 )
ALA( 8 A -52 )
GLY( 8 A -51 )
ALA( 8 A -50 )
PHE( 8 A -49 )
PHE( 8 A -48 )
SER( 8 A -47 )
VAL( 8 A -46 )
PHE( 8 A -45 )
ILE( 8 A -44 )
ASP( 8 A -43 )
ASP( 8 A -42 )
ASP( 8 A -41 )
ALA( 8 A -40 )
ALA( 8 A -39 )
LEU( 8 A -38 )
GLU( 8 A -37 )
SER( 8 A -36 )
ALA( 8 A -35 )
TYR( 8 A -34 )
GLY( 8 A -33 )
LEU( 8 A -32 )
ARG( 8 A -31 )
VAL( 8 A -30 )
PRO( 8 A -29 )
VAL( 8 A -28 )
LEU( 8 A -27 )
ARG( 8 A -26 )
ASP( 8 A -25 )
PRO( 8 A -24 )
MET( 8 A -23 )
GLY( 8 A -22 )
ARG( 8 A -21 )
GLU( 8 A -20 )
LEU( 8 A -19 )
ASP( 8 A -18 )
TRP( 8 A -17 )
PRO( 8 A -16 )
PHE( 8 A -15 )
ASP( 8 A -14 )
ALA( 8 A -13 )
PRO( 8 A -12 )
ARG( 8 A -11 )
LEU( 8 A -10 )
ARG( 8 A -9 )
ALA( 8 A -8 )
TRP( 8 A -7 )
LEU( 8 A -6 )
ASP( 8 A -5 )
ALA( 8 A -4 )
ALA( 8 A -3 )
PRO( 8 A -2 )
HIS( 8 A -1 )
ALA( 8 A 0 )
MET( 9 A -77 )
ALA( 9 A -76 )
LEU( 9 A -75 )
THR( 9 A -74 )
LEU( 9 A -73 )
TYR( 9 A -72 )
GLN( 9 A -71 )
ARG( 9 A -70 )
ASP( 9 A -69 )
ASP( 9 A -68 )
CYS( 9 A -67 )
HIS( 9 A -66 )
LEU( 9 A -65 )
CYS( 9 A -64 )
ASP( 9 A -63 )
GLN( 9 A -62 )
ALA( 9 A -61 )
VAL( 9 A -60 )
GLU( 9 A -59 )
ALA( 9 A -58 )
LEU( 9 A -57 )
ALA( 9 A -56 )
GLN( 9 A -55 )
ALA( 9 A -54 )
ARG( 9 A -53 )
ALA( 9 A -52 )
GLY( 9 A -51 )
ALA( 9 A -50 )
PHE( 9 A -49 )
PHE( 9 A -48 )
SER( 9 A -47 )
VAL( 9 A -46 )
PHE( 9 A -45 )
ILE( 9 A -44 )
ASP( 9 A -43 )
ASP( 9 A -42 )
ASP( 9 A -41 )
ALA( 9 A -40 )
ALA( 9 A -39 )
LEU( 9 A -38 )
GLU( 9 A -37 )
SER( 9 A -36 )
ALA( 9 A -35 )
TYR( 9 A -34 )
GLY( 9 A -33 )
LEU( 9 A -32 )
ARG( 9 A -31 )
VAL( 9 A -30 )
PRO( 9 A -29 )
VAL( 9 A -28 )
LEU( 9 A -27 )
ARG( 9 A -26 )
ASP( 9 A -25 )
PRO( 9 A -24 )
MET( 9 A -23 )
GLY( 9 A -22 )
ARG( 9 A -21 )
GLU( 9 A -20 )
LEU( 9 A -19 )
ASP( 9 A -18 )
TRP( 9 A -17 )
PRO( 9 A -16 )
PHE( 9 A -15 )
ASP( 9 A -14 )
ALA( 9 A -13 )
PRO( 9 A -12 )
ARG( 9 A -11 )
LEU( 9 A -10 )
ARG( 9 A -9 )
ALA( 9 A -8 )
TRP( 9 A -7 )
LEU( 9 A -6 )
ASP( 9 A -5 )
ALA( 9 A -4 )
ALA( 9 A -3 )
PRO( 9 A -2 )
HIS( 9 A -1 )
ALA( 9 A 0 )
MET( 10 A -77 )
ALA( 10 A -76 )
LEU( 10 A -75 )
THR( 10 A -74 )
LEU( 10 A -73 )
TYR( 10 A -72 )
GLN( 10 A -71 )
ARG( 10 A -70 )
ASP( 10 A -69 )
ASP( 10 A -68 )
CYS( 10 A -67 )
HIS( 10 A -66 )
LEU( 10 A -65 )
CYS( 10 A -64 )
ASP( 10 A -63 )
GLN( 10 A -62 )
ALA( 10 A -61 )
VAL( 10 A -60 )
GLU( 10 A -59 )
ALA( 10 A -58 )
LEU( 10 A -57 )
ALA( 10 A -56 )
GLN( 10 A -55 )
ALA( 10 A -54 )
ARG( 10 A -53 )
ALA( 10 A -52 )
GLY( 10 A -51 )
ALA( 10 A -50 )
PHE( 10 A -49 )
PHE( 10 A -48 )
SER( 10 A -47 )
VAL( 10 A -46 )
PHE( 10 A -45 )
ILE( 10 A -44 )
ASP( 10 A -43 )
ASP( 10 A -42 )
ASP( 10 A -41 )
ALA( 10 A -40 )
ALA( 10 A -39 )
LEU( 10 A -38 )
GLU( 10 A -37 )
SER( 10 A -36 )
ALA( 10 A -35 )
TYR( 10 A -34 )
GLY( 10 A -33 )
LEU( 10 A -32 )
ARG( 10 A -31 )
VAL( 10 A -30 )
PRO( 10 A -29 )
VAL( 10 A -28 )
LEU( 10 A -27 )
ARG( 10 A -26 )
ASP( 10 A -25 )
PRO( 10 A -24 )
MET( 10 A -23 )
GLY( 10 A -22 )
ARG( 10 A -21 )
GLU( 10 A -20 )
LEU( 10 A -19 )
ASP( 10 A -18 )
TRP( 10 A -17 )
PRO( 10 A -16 )
PHE( 10 A -15 )
ASP( 10 A -14 )
ALA( 10 A -13 )
PRO( 10 A -12 )
ARG( 10 A -11 )
LEU( 10 A -10 )
ARG( 10 A -9 )
ALA( 10 A -8 )
TRP( 10 A -7 )
LEU( 10 A -6 )
ASP( 10 A -5 )
ALA( 10 A -4 )
ALA( 10 A -3 )
PRO( 10 A -2 )
HIS( 10 A -1 )
ALA( 10 A 0 )
MET( 11 A -77 )
ALA( 11 A -76 )
LEU( 11 A -75 )
THR( 11 A -74 )
LEU( 11 A -73 )
TYR( 11 A -72 )
GLN( 11 A -71 )
ARG( 11 A -70 )
ASP( 11 A -69 )
ASP( 11 A -68 )
CYS( 11 A -67 )
HIS( 11 A -66 )
LEU( 11 A -65 )
CYS( 11 A -64 )
ASP( 11 A -63 )
GLN( 11 A -62 )
ALA( 11 A -61 )
VAL( 11 A -60 )
GLU( 11 A -59 )
ALA( 11 A -58 )
LEU( 11 A -57 )
ALA( 11 A -56 )
GLN( 11 A -55 )
ALA( 11 A -54 )
ARG( 11 A -53 )
ALA( 11 A -52 )
GLY( 11 A -51 )
ALA( 11 A -50 )
PHE( 11 A -49 )
PHE( 11 A -48 )
SER( 11 A -47 )
VAL( 11 A -46 )
PHE( 11 A -45 )
ILE( 11 A -44 )
ASP( 11 A -43 )
ASP( 11 A -42 )
ASP( 11 A -41 )
ALA( 11 A -40 )
ALA( 11 A -39 )
LEU( 11 A -38 )
GLU( 11 A -37 )
SER( 11 A -36 )
ALA( 11 A -35 )
TYR( 11 A -34 )
GLY( 11 A -33 )
LEU( 11 A -32 )
ARG( 11 A -31 )
VAL( 11 A -30 )
PRO( 11 A -29 )
VAL( 11 A -28 )
LEU( 11 A -27 )
ARG( 11 A -26 )
ASP( 11 A -25 )
PRO( 11 A -24 )
MET( 11 A -23 )
GLY( 11 A -22 )
ARG( 11 A -21 )
GLU( 11 A -20 )
LEU( 11 A -19 )
ASP( 11 A -18 )
TRP( 11 A -17 )
PRO( 11 A -16 )
PHE( 11 A -15 )
ASP( 11 A -14 )
ALA( 11 A -13 )
PRO( 11 A -12 )
ARG( 11 A -11 )
LEU( 11 A -10 )
ARG( 11 A -9 )
ALA( 11 A -8 )
TRP( 11 A -7 )
LEU( 11 A -6 )
ASP( 11 A -5 )
ALA( 11 A -4 )
ALA( 11 A -3 )
PRO( 11 A -2 )
HIS( 11 A -1 )
ALA( 11 A 0 )
MET( 12 A -77 )
ALA( 12 A -76 )
LEU( 12 A -75 )
THR( 12 A -74 )
LEU( 12 A -73 )
TYR( 12 A -72 )
GLN( 12 A -71 )
ARG( 12 A -70 )
ASP( 12 A -69 )
ASP( 12 A -68 )
CYS( 12 A -67 )
HIS( 12 A -66 )
LEU( 12 A -65 )
CYS( 12 A -64 )
ASP( 12 A -63 )
GLN( 12 A -62 )
ALA( 12 A -61 )
VAL( 12 A -60 )
GLU( 12 A -59 )
ALA( 12 A -58 )
LEU( 12 A -57 )
ALA( 12 A -56 )
GLN( 12 A -55 )
ALA( 12 A -54 )
ARG( 12 A -53 )
ALA( 12 A -52 )
GLY( 12 A -51 )
ALA( 12 A -50 )
PHE( 12 A -49 )
PHE( 12 A -48 )
SER( 12 A -47 )
VAL( 12 A -46 )
PHE( 12 A -45 )
ILE( 12 A -44 )
ASP( 12 A -43 )
ASP( 12 A -42 )
ASP( 12 A -41 )
ALA( 12 A -40 )
ALA( 12 A -39 )
LEU( 12 A -38 )
GLU( 12 A -37 )
SER( 12 A -36 )
ALA( 12 A -35 )
TYR( 12 A -34 )
GLY( 12 A -33 )
LEU( 12 A -32 )
ARG( 12 A -31 )
VAL( 12 A -30 )
PRO( 12 A -29 )
VAL( 12 A -28 )
LEU( 12 A -27 )
ARG( 12 A -26 )
ASP( 12 A -25 )
PRO( 12 A -24 )
MET( 12 A -23 )
GLY( 12 A -22 )
ARG( 12 A -21 )
GLU( 12 A -20 )
LEU( 12 A -19 )
ASP( 12 A -18 )
TRP( 12 A -17 )
PRO( 12 A -16 )
PHE( 12 A -15 )
ASP( 12 A -14 )
ALA( 12 A -13 )
PRO( 12 A -12 )
ARG( 12 A -11 )
LEU( 12 A -10 )
ARG( 12 A -9 )
ALA( 12 A -8 )
TRP( 12 A -7 )
LEU( 12 A -6 )
ASP( 12 A -5 )
ALA( 12 A -4 )
ALA( 12 A -3 )
PRO( 12 A -2 )
HIS( 12 A -1 )
ALA( 12 A 0 )
MET( 13 A -77 )
ALA( 13 A -76 )
LEU( 13 A -75 )
THR( 13 A -74 )
LEU( 13 A -73 )
TYR( 13 A -72 )
GLN( 13 A -71 )
ARG( 13 A -70 )
ASP( 13 A -69 )
ASP( 13 A -68 )
CYS( 13 A -67 )
HIS( 13 A -66 )
LEU( 13 A -65 )
CYS( 13 A -64 )
ASP( 13 A -63 )
GLN( 13 A -62 )
ALA( 13 A -61 )
VAL( 13 A -60 )
GLU( 13 A -59 )
ALA( 13 A -58 )
LEU( 13 A -57 )
ALA( 13 A -56 )
GLN( 13 A -55 )
ALA( 13 A -54 )
ARG( 13 A -53 )
ALA( 13 A -52 )
GLY( 13 A -51 )
ALA( 13 A -50 )
PHE( 13 A -49 )
PHE( 13 A -48 )
SER( 13 A -47 )
VAL( 13 A -46 )
PHE( 13 A -45 )
ILE( 13 A -44 )
ASP( 13 A -43 )
ASP( 13 A -42 )
ASP( 13 A -41 )
ALA( 13 A -40 )
ALA( 13 A -39 )
LEU( 13 A -38 )
GLU( 13 A -37 )
SER( 13 A -36 )
ALA( 13 A -35 )
TYR( 13 A -34 )
GLY( 13 A -33 )
LEU( 13 A -32 )
ARG( 13 A -31 )
VAL( 13 A -30 )
PRO( 13 A -29 )
VAL( 13 A -28 )
LEU( 13 A -27 )
ARG( 13 A -26 )
ASP( 13 A -25 )
PRO( 13 A -24 )
MET( 13 A -23 )
GLY( 13 A -22 )
ARG( 13 A -21 )
GLU( 13 A -20 )
LEU( 13 A -19 )
ASP( 13 A -18 )
TRP( 13 A -17 )
PRO( 13 A -16 )
PHE( 13 A -15 )
ASP( 13 A -14 )
ALA( 13 A -13 )
PRO( 13 A -12 )
ARG( 13 A -11 )
LEU( 13 A -10 )
ARG( 13 A -9 )
ALA( 13 A -8 )
TRP( 13 A -7 )
LEU( 13 A -6 )
ASP( 13 A -5 )
ALA( 13 A -4 )
ALA( 13 A -3 )
PRO( 13 A -2 )
HIS( 13 A -1 )
ALA( 13 A 0 )
MET( 14 A -77 )
ALA( 14 A -76 )
LEU( 14 A -75 )
THR( 14 A -74 )
LEU( 14 A -73 )
TYR( 14 A -72 )
GLN( 14 A -71 )
ARG( 14 A -70 )
ASP( 14 A -69 )
ASP( 14 A -68 )
CYS( 14 A -67 )
HIS( 14 A -66 )
LEU( 14 A -65 )
CYS( 14 A -64 )
ASP( 14 A -63 )
GLN( 14 A -62 )
ALA( 14 A -61 )
VAL( 14 A -60 )
GLU( 14 A -59 )
ALA( 14 A -58 )
LEU( 14 A -57 )
ALA( 14 A -56 )
GLN( 14 A -55 )
ALA( 14 A -54 )
ARG( 14 A -53 )
ALA( 14 A -52 )
GLY( 14 A -51 )
ALA( 14 A -50 )
PHE( 14 A -49 )
PHE( 14 A -48 )
SER( 14 A -47 )
VAL( 14 A -46 )
PHE( 14 A -45 )
ILE( 14 A -44 )
ASP( 14 A -43 )
ASP( 14 A -42 )
ASP( 14 A -41 )
ALA( 14 A -40 )
ALA( 14 A -39 )
LEU( 14 A -38 )
GLU( 14 A -37 )
SER( 14 A -36 )
ALA( 14 A -35 )
TYR( 14 A -34 )
GLY( 14 A -33 )
LEU( 14 A -32 )
ARG( 14 A -31 )
VAL( 14 A -30 )
PRO( 14 A -29 )
VAL( 14 A -28 )
LEU( 14 A -27 )
ARG( 14 A -26 )
ASP( 14 A -25 )
PRO( 14 A -24 )
MET( 14 A -23 )
GLY( 14 A -22 )
ARG( 14 A -21 )
GLU( 14 A -20 )
LEU( 14 A -19 )
ASP( 14 A -18 )
TRP( 14 A -17 )
PRO( 14 A -16 )
PHE( 14 A -15 )
ASP( 14 A -14 )
ALA( 14 A -13 )
PRO( 14 A -12 )
ARG( 14 A -11 )
LEU( 14 A -10 )
ARG( 14 A -9 )
ALA( 14 A -8 )
TRP( 14 A -7 )
LEU( 14 A -6 )
ASP( 14 A -5 )
ALA( 14 A -4 )
ALA( 14 A -3 )
PRO( 14 A -2 )
HIS( 14 A -1 )
ALA( 14 A 0 )
MET( 15 A -77 )
ALA( 15 A -76 )
LEU( 15 A -75 )
THR( 15 A -74 )
LEU( 15 A -73 )
TYR( 15 A -72 )
GLN( 15 A -71 )
ARG( 15 A -70 )
ASP( 15 A -69 )
ASP( 15 A -68 )
CYS( 15 A -67 )
HIS( 15 A -66 )
LEU( 15 A -65 )
CYS( 15 A -64 )
ASP( 15 A -63 )
GLN( 15 A -62 )
ALA( 15 A -61 )
VAL( 15 A -60 )
GLU( 15 A -59 )
ALA( 15 A -58 )
LEU( 15 A -57 )
ALA( 15 A -56 )
GLN( 15 A -55 )
ALA( 15 A -54 )
ARG( 15 A -53 )
ALA( 15 A -52 )
GLY( 15 A -51 )
ALA( 15 A -50 )
PHE( 15 A -49 )
PHE( 15 A -48 )
SER( 15 A -47 )
VAL( 15 A -46 )
PHE( 15 A -45 )
ILE( 15 A -44 )
ASP( 15 A -43 )
ASP( 15 A -42 )
ASP( 15 A -41 )
ALA( 15 A -40 )
ALA( 15 A -39 )
LEU( 15 A -38 )
GLU( 15 A -37 )
SER( 15 A -36 )
ALA( 15 A -35 )
TYR( 15 A -34 )
GLY( 15 A -33 )
LEU( 15 A -32 )
ARG( 15 A -31 )
VAL( 15 A -30 )
PRO( 15 A -29 )
VAL( 15 A -28 )
LEU( 15 A -27 )
ARG( 15 A -26 )
ASP( 15 A -25 )
PRO( 15 A -24 )
MET( 15 A -23 )
GLY( 15 A -22 )
ARG( 15 A -21 )
GLU( 15 A -20 )
LEU( 15 A -19 )
ASP( 15 A -18 )
TRP( 15 A -17 )
PRO( 15 A -16 )
PHE( 15 A -15 )
ASP( 15 A -14 )
ALA( 15 A -13 )
PRO( 15 A -12 )
ARG( 15 A -11 )
LEU( 15 A -10 )
ARG( 15 A -9 )
ALA( 15 A -8 )
TRP( 15 A -7 )
LEU( 15 A -6 )
ASP( 15 A -5 )
ALA( 15 A -4 )
ALA( 15 A -3 )
PRO( 15 A -2 )
HIS( 15 A -1 )
ALA( 15 A 0 )
MET( 16 A -77 )
ALA( 16 A -76 )
LEU( 16 A -75 )
THR( 16 A -74 )
LEU( 16 A -73 )
TYR( 16 A -72 )
GLN( 16 A -71 )
ARG( 16 A -70 )
ASP( 16 A -69 )
ASP( 16 A -68 )
CYS( 16 A -67 )
HIS( 16 A -66 )
LEU( 16 A -65 )
CYS( 16 A -64 )
ASP( 16 A -63 )
GLN( 16 A -62 )
ALA( 16 A -61 )
VAL( 16 A -60 )
GLU( 16 A -59 )
ALA( 16 A -58 )
LEU( 16 A -57 )
ALA( 16 A -56 )
GLN( 16 A -55 )
ALA( 16 A -54 )
ARG( 16 A -53 )
ALA( 16 A -52 )
GLY( 16 A -51 )
ALA( 16 A -50 )
PHE( 16 A -49 )
PHE( 16 A -48 )
SER( 16 A -47 )
VAL( 16 A -46 )
PHE( 16 A -45 )
ILE( 16 A -44 )
ASP( 16 A -43 )
ASP( 16 A -42 )
ASP( 16 A -41 )
ALA( 16 A -40 )
ALA( 16 A -39 )
LEU( 16 A -38 )
GLU( 16 A -37 )
SER( 16 A -36 )
ALA( 16 A -35 )
TYR( 16 A -34 )
GLY( 16 A -33 )
LEU( 16 A -32 )
ARG( 16 A -31 )
VAL( 16 A -30 )
PRO( 16 A -29 )
VAL( 16 A -28 )
LEU( 16 A -27 )
ARG( 16 A -26 )
ASP( 16 A -25 )
PRO( 16 A -24 )
MET( 16 A -23 )
GLY( 16 A -22 )
ARG( 16 A -21 )
GLU( 16 A -20 )
LEU( 16 A -19 )
ASP( 16 A -18 )
TRP( 16 A -17 )
PRO( 16 A -16 )
PHE( 16 A -15 )
ASP( 16 A -14 )
ALA( 16 A -13 )
PRO( 16 A -12 )
ARG( 16 A -11 )
LEU( 16 A -10 )
ARG( 16 A -9 )
ALA( 16 A -8 )
TRP( 16 A -7 )
LEU( 16 A -6 )
ASP( 16 A -5 )
ALA( 16 A -4 )
ALA( 16 A -3 )
PRO( 16 A -2 )
HIS( 16 A -1 )
ALA( 16 A 0 )
MET( 17 A -77 )
ALA( 17 A -76 )
LEU( 17 A -75 )
THR( 17 A -74 )
LEU( 17 A -73 )
TYR( 17 A -72 )
GLN( 17 A -71 )
ARG( 17 A -70 )
ASP( 17 A -69 )
ASP( 17 A -68 )
CYS( 17 A -67 )
HIS( 17 A -66 )
LEU( 17 A -65 )
CYS( 17 A -64 )
ASP( 17 A -63 )
GLN( 17 A -62 )
ALA( 17 A -61 )
VAL( 17 A -60 )
GLU( 17 A -59 )
ALA( 17 A -58 )
LEU( 17 A -57 )
ALA( 17 A -56 )
GLN( 17 A -55 )
ALA( 17 A -54 )
ARG( 17 A -53 )
ALA( 17 A -52 )
GLY( 17 A -51 )
ALA( 17 A -50 )
PHE( 17 A -49 )
PHE( 17 A -48 )
SER( 17 A -47 )
VAL( 17 A -46 )
PHE( 17 A -45 )
ILE( 17 A -44 )
ASP( 17 A -43 )
ASP( 17 A -42 )
ASP( 17 A -41 )
ALA( 17 A -40 )
ALA( 17 A -39 )
LEU( 17 A -38 )
GLU( 17 A -37 )
SER( 17 A -36 )
ALA( 17 A -35 )
TYR( 17 A -34 )
GLY( 17 A -33 )
LEU( 17 A -32 )
ARG( 17 A -31 )
VAL( 17 A -30 )
PRO( 17 A -29 )
VAL( 17 A -28 )
LEU( 17 A -27 )
ARG( 17 A -26 )
ASP( 17 A -25 )
PRO( 17 A -24 )
MET( 17 A -23 )
GLY( 17 A -22 )
ARG( 17 A -21 )
GLU( 17 A -20 )
LEU( 17 A -19 )
ASP( 17 A -18 )
TRP( 17 A -17 )
PRO( 17 A -16 )
PHE( 17 A -15 )
ASP( 17 A -14 )
ALA( 17 A -13 )
PRO( 17 A -12 )
ARG( 17 A -11 )
LEU( 17 A -10 )
ARG( 17 A -9 )
ALA( 17 A -8 )
TRP( 17 A -7 )
LEU( 17 A -6 )
ASP( 17 A -5 )
ALA( 17 A -4 )
ALA( 17 A -3 )
PRO( 17 A -2 )
HIS( 17 A -1 )
ALA( 17 A 0 )
MET( 18 A -77 )
ALA( 18 A -76 )
LEU( 18 A -75 )
THR( 18 A -74 )
LEU( 18 A -73 )
TYR( 18 A -72 )
GLN( 18 A -71 )
ARG( 18 A -70 )
ASP( 18 A -69 )
ASP( 18 A -68 )
CYS( 18 A -67 )
HIS( 18 A -66 )
LEU( 18 A -65 )
CYS( 18 A -64 )
ASP( 18 A -63 )
GLN( 18 A -62 )
ALA( 18 A -61 )
VAL( 18 A -60 )
GLU( 18 A -59 )
ALA( 18 A -58 )
LEU( 18 A -57 )
ALA( 18 A -56 )
GLN( 18 A -55 )
ALA( 18 A -54 )
ARG( 18 A -53 )
ALA( 18 A -52 )
GLY( 18 A -51 )
ALA( 18 A -50 )
PHE( 18 A -49 )
PHE( 18 A -48 )
SER( 18 A -47 )
VAL( 18 A -46 )
PHE( 18 A -45 )
ILE( 18 A -44 )
ASP( 18 A -43 )
ASP( 18 A -42 )
ASP( 18 A -41 )
ALA( 18 A -40 )
ALA( 18 A -39 )
LEU( 18 A -38 )
GLU( 18 A -37 )
SER( 18 A -36 )
ALA( 18 A -35 )
TYR( 18 A -34 )
GLY( 18 A -33 )
LEU( 18 A -32 )
ARG( 18 A -31 )
VAL( 18 A -30 )
PRO( 18 A -29 )
VAL( 18 A -28 )
LEU( 18 A -27 )
ARG( 18 A -26 )
ASP( 18 A -25 )
PRO( 18 A -24 )
MET( 18 A -23 )
GLY( 18 A -22 )
ARG( 18 A -21 )
GLU( 18 A -20 )
LEU( 18 A -19 )
ASP( 18 A -18 )
TRP( 18 A -17 )
PRO( 18 A -16 )
PHE( 18 A -15 )
ASP( 18 A -14 )
ALA( 18 A -13 )
PRO( 18 A -12 )
ARG( 18 A -11 )
LEU( 18 A -10 )
ARG( 18 A -9 )
ALA( 18 A -8 )
TRP( 18 A -7 )
LEU( 18 A -6 )
ASP( 18 A -5 )
ALA( 18 A -4 )
ALA( 18 A -3 )
PRO( 18 A -2 )
HIS( 18 A -1 )
ALA( 18 A 0 )
MET( 19 A -77 )
ALA( 19 A -76 )
LEU( 19 A -75 )
THR( 19 A -74 )
LEU( 19 A -73 )
TYR( 19 A -72 )
GLN( 19 A -71 )
ARG( 19 A -70 )
ASP( 19 A -69 )
ASP( 19 A -68 )
CYS( 19 A -67 )
HIS( 19 A -66 )
LEU( 19 A -65 )
CYS( 19 A -64 )
ASP( 19 A -63 )
GLN( 19 A -62 )
ALA( 19 A -61 )
VAL( 19 A -60 )
GLU( 19 A -59 )
ALA( 19 A -58 )
LEU( 19 A -57 )
ALA( 19 A -56 )
GLN( 19 A -55 )
ALA( 19 A -54 )
ARG( 19 A -53 )
ALA( 19 A -52 )
GLY( 19 A -51 )
ALA( 19 A -50 )
PHE( 19 A -49 )
PHE( 19 A -48 )
SER( 19 A -47 )
VAL( 19 A -46 )
PHE( 19 A -45 )
ILE( 19 A -44 )
ASP( 19 A -43 )
ASP( 19 A -42 )
ASP( 19 A -41 )
ALA( 19 A -40 )
ALA( 19 A -39 )
LEU( 19 A -38 )
GLU( 19 A -37 )
SER( 19 A -36 )
ALA( 19 A -35 )
TYR( 19 A -34 )
GLY( 19 A -33 )
LEU( 19 A -32 )
ARG( 19 A -31 )
VAL( 19 A -30 )
PRO( 19 A -29 )
VAL( 19 A -28 )
LEU( 19 A -27 )
ARG( 19 A -26 )
ASP( 19 A -25 )
PRO( 19 A -24 )
MET( 19 A -23 )
GLY( 19 A -22 )
ARG( 19 A -21 )
GLU( 19 A -20 )
LEU( 19 A -19 )
ASP( 19 A -18 )
TRP( 19 A -17 )
PRO( 19 A -16 )
PHE( 19 A -15 )
ASP( 19 A -14 )
ALA( 19 A -13 )
PRO( 19 A -12 )
ARG( 19 A -11 )
LEU( 19 A -10 )
ARG( 19 A -9 )
ALA( 19 A -8 )
TRP( 19 A -7 )
LEU( 19 A -6 )
ASP( 19 A -5 )
ALA( 19 A -4 )
ALA( 19 A -3 )
PRO( 19 A -2 )
HIS( 19 A -1 )
ALA( 19 A 0 )
MET( 20 A -77 )
ALA( 20 A -76 )
LEU( 20 A -75 )
THR( 20 A -74 )
LEU( 20 A -73 )
TYR( 20 A -72 )
GLN( 20 A -71 )
ARG( 20 A -70 )
ASP( 20 A -69 )
ASP( 20 A -68 )
CYS( 20 A -67 )
HIS( 20 A -66 )
LEU( 20 A -65 )
CYS( 20 A -64 )
ASP( 20 A -63 )
GLN( 20 A -62 )
ALA( 20 A -61 )
VAL( 20 A -60 )
GLU( 20 A -59 )
ALA( 20 A -58 )
LEU( 20 A -57 )
ALA( 20 A -56 )
GLN( 20 A -55 )
ALA( 20 A -54 )
ARG( 20 A -53 )
ALA( 20 A -52 )
GLY( 20 A -51 )
ALA( 20 A -50 )
PHE( 20 A -49 )
PHE( 20 A -48 )
SER( 20 A -47 )
VAL( 20 A -46 )
PHE( 20 A -45 )
ILE( 20 A -44 )
ASP( 20 A -43 )
ASP( 20 A -42 )
ASP( 20 A -41 )
ALA( 20 A -40 )
ALA( 20 A -39 )
LEU( 20 A -38 )
GLU( 20 A -37 )
SER( 20 A -36 )
ALA( 20 A -35 )
TYR( 20 A -34 )
GLY( 20 A -33 )
LEU( 20 A -32 )
ARG( 20 A -31 )
VAL( 20 A -30 )
PRO( 20 A -29 )
VAL( 20 A -28 )
LEU( 20 A -27 )
ARG( 20 A -26 )
ASP( 20 A -25 )
PRO( 20 A -24 )
MET( 20 A -23 )
GLY( 20 A -22 )
ARG( 20 A -21 )
GLU( 20 A -20 )
LEU( 20 A -19 )
ASP( 20 A -18 )
TRP( 20 A -17 )
PRO( 20 A -16 )
PHE( 20 A -15 )
ASP( 20 A -14 )
ALA( 20 A -13 )
PRO( 20 A -12 )
ARG( 20 A -11 )
LEU( 20 A -10 )
ARG( 20 A -9 )
ALA( 20 A -8 )
TRP( 20 A -7 )
LEU( 20 A -6 )
ASP( 20 A -5 )
ALA( 20 A -4 )
ALA( 20 A -3 )
PRO( 20 A -2 )
HIS( 20 A -1 )
ALA( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET ALA LEU THR LEU TYR GLN ARG ASP ASP CYS HIS LEU CYS ASP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: GLN ALA VAL GLU ALA LEU ALA GLN ALA ARG ALA GLY ALA PHE PHE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: SER VAL PHE ILE ASP ASP ASP ALA ALA LEU GLU SER ALA TYR GLY
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: LEU ARG VAL PRO VAL LEU ARG ASP PRO MET GLY ARG GLU LEU ASP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: TRP PRO PHE ASP ALA PRO ARG LEU ARG ALA TRP LEU ASP ALA ALA
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: PRO HIS ALA MET ALA LEU THR LEU TYR GLN ARG ASP ASP CYS HIS
COORDS: ... ... ... MET ALA LEU THR LEU TYR GLN ARG ASP ASP CYS HIS
1 12
91 105
SEQRES: LEU CYS ASP GLN ALA VAL GLU ALA LEU ALA GLN ALA ARG ALA GLY
COORDS: LEU CYS ASP GLN ALA VAL GLU ALA LEU ALA GLN ALA ARG ALA GLY
13 27
106 120
SEQRES: ALA PHE PHE SER VAL PHE ILE ASP ASP ASP ALA ALA LEU GLU SER
COORDS: ALA PHE PHE SER VAL PHE ILE ASP ASP ASP ALA ALA LEU GLU SER
28 42
121 135
SEQRES: ALA TYR GLY LEU ARG VAL PRO VAL LEU ARG ASP PRO MET GLY ARG
COORDS: ALA TYR GLY LEU ARG VAL PRO VAL LEU ARG ASP PRO MET GLY ARG
43 57
136 150
SEQRES: GLU LEU ASP TRP PRO PHE ASP ALA PRO ARG LEU ARG ALA TRP LEU
COORDS: GLU LEU ASP TRP PRO PHE ASP ALA PRO ARG LEU ARG ALA TRP LEU
58 72
151 156
SEQRES: ASP ALA ALA PRO HIS ALA
COORDS: ASP ALA ALA PRO HIS ALA
73 78
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 9) HD2
ASP( 1 A 10) HD2
HIS( 1 A 12) HE2
ASP( 1 A 15) HD2
GLU( 1 A 19) HE2
ASP( 1 A 35) HD2
ASP( 1 A 36) HD2
ASP( 1 A 37) HD2
GLU( 1 A 41) HE2
ASP( 1 A 53) HD2
GLU( 1 A 58) HE2
ASP( 1 A 60) HD2
ASP( 1 A 64) HD2
ASP( 1 A 73) HD2
HIS( 1 A 77) HE2
ASP( 2 A 9) HD2
ASP( 2 A 10) HD2
HIS( 2 A 12) HE2
ASP( 2 A 15) HD2
GLU( 2 A 19) HE2
ASP( 2 A 35) HD2
ASP( 2 A 36) HD2
ASP( 2 A 37) HD2
GLU( 2 A 41) HE2
ASP( 2 A 53) HD2
GLU( 2 A 58) HE2
ASP( 2 A 60) HD2
ASP( 2 A 64) HD2
ASP( 2 A 73) HD2
HIS( 2 A 77) HE2
ASP( 3 A 9) HD2
ASP( 3 A 10) HD2
HIS( 3 A 12) HE2
ASP( 3 A 15) HD2
GLU( 3 A 19) HE2
ASP( 3 A 35) HD2
ASP( 3 A 36) HD2
ASP( 3 A 37) HD2
GLU( 3 A 41) HE2
ASP( 3 A 53) HD2
GLU( 3 A 58) HE2
ASP( 3 A 60) HD2
ASP( 3 A 64) HD2
ASP( 3 A 73) HD2
HIS( 3 A 77) HE2
ASP( 4 A 9) HD2
ASP( 4 A 10) HD2
HIS( 4 A 12) HE2
ASP( 4 A 15) HD2
GLU( 4 A 19) HE2
ASP( 4 A 35) HD2
ASP( 4 A 36) HD2
ASP( 4 A 37) HD2
GLU( 4 A 41) HE2
ASP( 4 A 53) HD2
GLU( 4 A 58) HE2
ASP( 4 A 60) HD2
ASP( 4 A 64) HD2
ASP( 4 A 73) HD2
HIS( 4 A 77) HE2
ASP( 5 A 9) HD2
ASP( 5 A 10) HD2
HIS( 5 A 12) HE2
ASP( 5 A 15) HD2
GLU( 5 A 19) HE2
ASP( 5 A 35) HD2
ASP( 5 A 36) HD2
ASP( 5 A 37) HD2
GLU( 5 A 41) HE2
ASP( 5 A 53) HD2
GLU( 5 A 58) HE2
ASP( 5 A 60) HD2
ASP( 5 A 64) HD2
ASP( 5 A 73) HD2
HIS( 5 A 77) HE2
ASP( 6 A 9) HD2
ASP( 6 A 10) HD2
HIS( 6 A 12) HE2
ASP( 6 A 15) HD2
GLU( 6 A 19) HE2
ASP( 6 A 35) HD2
ASP( 6 A 36) HD2
ASP( 6 A 37) HD2
GLU( 6 A 41) HE2
ASP( 6 A 53) HD2
GLU( 6 A 58) HE2
ASP( 6 A 60) HD2
ASP( 6 A 64) HD2
ASP( 6 A 73) HD2
HIS( 6 A 77) HE2
ASP( 7 A 9) HD2
ASP( 7 A 10) HD2
HIS( 7 A 12) HE2
ASP( 7 A 15) HD2
GLU( 7 A 19) HE2
ASP( 7 A 35) HD2
ASP( 7 A 36) HD2
ASP( 7 A 37) HD2
GLU( 7 A 41) HE2
ASP( 7 A 53) HD2
GLU( 7 A 58) HE2
ASP( 7 A 60) HD2
ASP( 7 A 64) HD2
ASP( 7 A 73) HD2
HIS( 7 A 77) HE2
ASP( 8 A 9) HD2
ASP( 8 A 10) HD2
HIS( 8 A 12) HE2
ASP( 8 A 15) HD2
GLU( 8 A 19) HE2
ASP( 8 A 35) HD2
ASP( 8 A 36) HD2
ASP( 8 A 37) HD2
GLU( 8 A 41) HE2
ASP( 8 A 53) HD2
GLU( 8 A 58) HE2
ASP( 8 A 60) HD2
ASP( 8 A 64) HD2
ASP( 8 A 73) HD2
HIS( 8 A 77) HE2
ASP( 9 A 9) HD2
ASP( 9 A 10) HD2
HIS( 9 A 12) HE2
ASP( 9 A 15) HD2
GLU( 9 A 19) HE2
ASP( 9 A 35) HD2
ASP( 9 A 36) HD2
ASP( 9 A 37) HD2
GLU( 9 A 41) HE2
ASP( 9 A 53) HD2
GLU( 9 A 58) HE2
ASP( 9 A 60) HD2
ASP( 9 A 64) HD2
ASP( 9 A 73) HD2
HIS( 9 A 77) HE2
ASP( 10 A 9) HD2
ASP( 10 A 10) HD2
HIS( 10 A 12) HE2
ASP( 10 A 15) HD2
GLU( 10 A 19) HE2
ASP( 10 A 35) HD2
ASP( 10 A 36) HD2
ASP( 10 A 37) HD2
GLU( 10 A 41) HE2
ASP( 10 A 53) HD2
GLU( 10 A 58) HE2
ASP( 10 A 60) HD2
ASP( 10 A 64) HD2
ASP( 10 A 73) HD2
HIS( 10 A 77) HE2
ASP( 11 A 9) HD2
ASP( 11 A 10) HD2
HIS( 11 A 12) HE2
ASP( 11 A 15) HD2
GLU( 11 A 19) HE2
ASP( 11 A 35) HD2
ASP( 11 A 36) HD2
ASP( 11 A 37) HD2
GLU( 11 A 41) HE2
ASP( 11 A 53) HD2
GLU( 11 A 58) HE2
ASP( 11 A 60) HD2
ASP( 11 A 64) HD2
ASP( 11 A 73) HD2
HIS( 11 A 77) HE2
ASP( 12 A 9) HD2
ASP( 12 A 10) HD2
HIS( 12 A 12) HE2
ASP( 12 A 15) HD2
GLU( 12 A 19) HE2
ASP( 12 A 35) HD2
ASP( 12 A 36) HD2
ASP( 12 A 37) HD2
GLU( 12 A 41) HE2
ASP( 12 A 53) HD2
GLU( 12 A 58) HE2
ASP( 12 A 60) HD2
ASP( 12 A 64) HD2
ASP( 12 A 73) HD2
HIS( 12 A 77) HE2
ASP( 13 A 9) HD2
ASP( 13 A 10) HD2
HIS( 13 A 12) HE2
ASP( 13 A 15) HD2
GLU( 13 A 19) HE2
ASP( 13 A 35) HD2
ASP( 13 A 36) HD2
ASP( 13 A 37) HD2
GLU( 13 A 41) HE2
ASP( 13 A 53) HD2
GLU( 13 A 58) HE2
ASP( 13 A 60) HD2
ASP( 13 A 64) HD2
ASP( 13 A 73) HD2
HIS( 13 A 77) HE2
ASP( 14 A 9) HD2
ASP( 14 A 10) HD2
HIS( 14 A 12) HE2
ASP( 14 A 15) HD2
GLU( 14 A 19) HE2
ASP( 14 A 35) HD2
ASP( 14 A 36) HD2
ASP( 14 A 37) HD2
GLU( 14 A 41) HE2
ASP( 14 A 53) HD2
GLU( 14 A 58) HE2
ASP( 14 A 60) HD2
ASP( 14 A 64) HD2
ASP( 14 A 73) HD2
HIS( 14 A 77) HE2
ASP( 15 A 9) HD2
ASP( 15 A 10) HD2
HIS( 15 A 12) HE2
ASP( 15 A 15) HD2
GLU( 15 A 19) HE2
ASP( 15 A 35) HD2
ASP( 15 A 36) HD2
ASP( 15 A 37) HD2
GLU( 15 A 41) HE2
ASP( 15 A 53) HD2
GLU( 15 A 58) HE2
ASP( 15 A 60) HD2
ASP( 15 A 64) HD2
ASP( 15 A 73) HD2
HIS( 15 A 77) HE2
ASP( 16 A 9) HD2
ASP( 16 A 10) HD2
HIS( 16 A 12) HE2
ASP( 16 A 15) HD2
GLU( 16 A 19) HE2
ASP( 16 A 35) HD2
ASP( 16 A 36) HD2
ASP( 16 A 37) HD2
GLU( 16 A 41) HE2
ASP( 16 A 53) HD2
GLU( 16 A 58) HE2
ASP( 16 A 60) HD2
ASP( 16 A 64) HD2
ASP( 16 A 73) HD2
HIS( 16 A 77) HE2
ASP( 17 A 9) HD2
ASP( 17 A 10) HD2
HIS( 17 A 12) HE2
ASP( 17 A 15) HD2
GLU( 17 A 19) HE2
ASP( 17 A 35) HD2
ASP( 17 A 36) HD2
ASP( 17 A 37) HD2
GLU( 17 A 41) HE2
ASP( 17 A 53) HD2
GLU( 17 A 58) HE2
ASP( 17 A 60) HD2
ASP( 17 A 64) HD2
ASP( 17 A 73) HD2
HIS( 17 A 77) HE2
ASP( 18 A 9) HD2
ASP( 18 A 10) HD2
HIS( 18 A 12) HE2
ASP( 18 A 15) HD2
GLU( 18 A 19) HE2
ASP( 18 A 35) HD2
ASP( 18 A 36) HD2
ASP( 18 A 37) HD2
GLU( 18 A 41) HE2
ASP( 18 A 53) HD2
GLU( 18 A 58) HE2
ASP( 18 A 60) HD2
ASP( 18 A 64) HD2
ASP( 18 A 73) HD2
HIS( 18 A 77) HE2
ASP( 19 A 9) HD2
ASP( 19 A 10) HD2
HIS( 19 A 12) HE2
ASP( 19 A 15) HD2
GLU( 19 A 19) HE2
ASP( 19 A 35) HD2
ASP( 19 A 36) HD2
ASP( 19 A 37) HD2
GLU( 19 A 41) HE2
ASP( 19 A 53) HD2
GLU( 19 A 58) HE2
ASP( 19 A 60) HD2
ASP( 19 A 64) HD2
ASP( 19 A 73) HD2
HIS( 19 A 77) HE2
ASP( 20 A 9) HD2
ASP( 20 A 10) HD2
HIS( 20 A 12) HE2
ASP( 20 A 15) HD2
GLU( 20 A 19) HE2
ASP( 20 A 35) HD2
ASP( 20 A 36) HD2
ASP( 20 A 37) HD2
GLU( 20 A 41) HE2
ASP( 20 A 53) HD2
GLU( 20 A 58) HE2
ASP( 20 A 60) HD2
ASP( 20 A 64) HD2
ASP( 20 A 73) HD2
HIS( 20 A 77) HE2
CHECK TERMINAL ATOMS
--------------------
Terminal atom(s) showed in middle of sequence will be deleted:
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A
1H MET 1 A