Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
6066 | 1ie5 RC | 5044 | cing | 1-original | 3 | AMBER | dihedral angle |
# trans-omega constraint for residue 2
&rst iat=12,10,8,5,
r1=150., r2=170., r3=190., r4=210., rk2 =150., rk3=150., &end
#
# trans-omega constraint for residue 3
&rst iat=34,32,30,12, &end
#
# trans-omega constraint for residue 4
&rst iat=46,44,42,34, &end
#
# trans-omega constraint for residue 5
&rst iat=65,63,61,46, &end
#
# trans-omega constraint for residue 6
&rst iat=82,80,78,65, &end
#
# trans-omega constraint for residue 7
&rst iat=98,96,94,82, &end
#
# trans-omega constraint for residue 8
&rst iat=117,115,113,98, &end
#
# trans-omega constraint for residue 9
&rst iat=133,131,129,117, &end
#
# trans-omega constraint for residue 10
&rst iat=147,145,143,133, &end
#
# trans-omega constraint for residue 11
&rst iat=171,161,159,147, &end
#
# trans-omega constraint for residue 12
&rst iat=185,175,173,171, &end
#
# trans-omega constraint for residue 13
&rst iat=191,189,187,185, &end
#
# trans-omega constraint for residue 14
&rst iat=202,200,198,191, &end
#
# trans-omega constraint for residue 15
&rst iat=218,216,214,202, &end
#
# trans-omega constraint for residue 16
&rst iat=242,240,238,218, &end
#
# trans-omega constraint for residue 17
&rst iat=252,250,248,242, &end
#
# trans-omega constraint for residue 18
&rst iat=276,274,272,252, &end
#
# trans-omega constraint for residue 19
&rst iat=293,291,289,276, &end
#
# trans-omega constraint for residue 20
&rst iat=304,302,300,293, &end
#
# trans-omega constraint for residue 21
&rst iat=318,316,314,304, &end
#
# trans-omega constraint for residue 22
&rst iat=335,333,331,318, &end
#
# trans-omega constraint for residue 23
&rst iat=349,347,345,335, &end
#
# trans-omega constraint for residue 24
&rst iat=359,357,355,349, &end
#
# trans-omega constraint for residue 25
&rst iat=373,371,369,359, &end
#
# trans-omega constraint for residue 26
&rst iat=383,381,379,373, &end
#
# trans-omega constraint for residue 27
&rst iat=397,395,393,383, &end
#
# trans-omega constraint for residue 28
&rst iat=416,414,412,397, &end
#
# trans-omega constraint for residue 29
&rst iat=427,425,423,416, &end
#
# trans-omega constraint for residue 30
&rst iat=444,442,440,427, &end
#
# trans-omega constraint for residue 31
&rst iat=455,453,451,444, &end
#
# trans-omega constraint for residue 32
&rst iat=471,469,467,455, &end
#
# trans-omega constraint for residue 33
&rst iat=485,483,481,471, &end
#
# trans-omega constraint for residue 34
&rst iat=504,502,500,485, &end
#
# trans-omega constraint for residue 35
&rst iat=514,512,510,504, &end
#
# trans-omega constraint for residue 36
&rst iat=524,522,520,514, &end
#
# trans-omega constraint for residue 37
&rst iat=536,534,532,524, &end
#
# trans-omega constraint for residue 38
&rst iat=546,544,542,536, &end
#
# trans-omega constraint for residue 39
&rst iat=558,556,554,546, &end
#
# trans-omega constraint for residue 40
&rst iat=565,563,561,558, &end
#
# trans-omega constraint for residue 41
# cis proline
&rst iat=593,583,581,565,
r1=330., r2=350., r3=370., r4=390., rk2 =150., rk3=150., &end
#
# trans-omega constraint for residue 42
&rst iat=599,597,595,593,
r1=150., r2=170., r3=190., r4=210., rk2 =150., rk3=150., &end
#
# trans-omega constraint for residue 43
&rst iat=622,612,610,599, &end
#
# trans-omega constraint for residue 44
&rst iat=628,626,624,622, &end
#
# trans-omega constraint for residue 45
&rst iat=642,640,638,628, &end
#
# trans-omega constraint for residue 46
&rst iat=659,657,655,642, &end
#
# trans-omega constraint for residue 47
&rst iat=673,671,669,659, &end
#
# trans-omega constraint for residue 48
&rst iat=697,695,693,673, &end
#
# trans-omega constraint for residue 49
&rst iat=711,709,707,697, &end
#
# trans-omega constraint for residue 50
&rst iat=733,731,729,711, &end
#
# trans-omega constraint for residue 51
&rst iat=745,743,741,733, &end
#
# trans-omega constraint for residue 52
&rst iat=752,750,748,745, &end
#
# trans-omega constraint for residue 53
&rst iat=775,765,763,752, &end
#
# trans-omega constraint for residue 54
&rst iat=781,779,777,775, &end
#
# trans-omega constraint for residue 55
&rst iat=800,798,796,781, &end
#
# trans-omega constraint for residue 56
&rst iat=815,813,811,800, &end
#
# trans-omega constraint for residue 57
&rst iat=832,830,828,815, &end
#
# trans-omega constraint for residue 58
&rst iat=847,845,843,832, &end
#
# trans-omega constraint for residue 59
&rst iat=859,857,855,847, &end
#
# trans-omega constraint for residue 60
&rst iat=873,871,869,859, &end
#
# trans-omega constraint for residue 61
&rst iat=888,886,884,873, &end
#
# trans-omega constraint for residue 62
&rst iat=903,901,899,888, &end
#
# trans-omega constraint for residue 63
&rst iat=925,923,921,903, &end
#
# trans-omega constraint for residue 64
&rst iat=946,944,942,925, &end
#
# trans-omega constraint for residue 65
&rst iat=957,955,953,946, &end
#
# trans-omega constraint for residue 66
&rst iat=977,975,973,957, &end
#
# trans-omega constraint for residue 67
&rst iat=991,989,987,977, &end
#
# trans-omega constraint for residue 68
&rst iat=1012,1010,1008,991, &end
#
# trans-omega constraint for residue 69
&rst iat=1024,1022,1020,1012, &end
#
# trans-omega constraint for residue 70
&rst iat=1031,1029,1027,1024, &end
#
# trans-omega constraint for residue 71
&rst iat=1042,1040,1038,1031, &end
#
# trans-omega constraint for residue 72
&rst iat=1057,1055,1053,1042, &end
#
# trans-omega constraint for residue 73
&rst iat=1076,1074,1072,1057, &end
#
# trans-omega constraint for residue 74
&rst iat=1095,1093,1091,1076, &end
#
# trans-omega constraint for residue 75
&rst iat=1114,1112,1110,1095, &end
#
# trans-omega constraint for residue 76
&rst iat=1136,1134,1132,1114, &end
#
# trans-omega constraint for residue 77
&rst iat=1158,1156,1154,1136, &end
#
# trans-omega constraint for residue 78
&rst iat=1174,1172,1170,1158, &end
#
# trans-omega constraint for residue 79
&rst iat=1186,1184,1182,1174, &end
#
# trans-omega constraint for residue 80
&rst iat=1208,1206,1204,1186, &end
#
# trans-omega constraint for residue 81
&rst iat=1219,1217,1215,1208, &end
#
# trans-omega constraint for residue 82
&rst iat=1231,1229,1227,1219, &end
#
# trans-omega constraint for residue 83
&rst iat=1246,1244,1242,1231, &end
#
# trans-omega constraint for residue 84
&rst iat=1256,1254,1252,1246, &end
#
# trans-omega constraint for residue 85
&rst iat=1271,1269,1267,1256, &end
#
# trans-omega constraint for residue 86
&rst iat=1292,1290,1288,1271, &end
#
# trans-omega constraint for residue 87
&rst iat=1311,1309,1307,1292, &end
#
# trans-omega constraint for residue 88
&rst iat=1321,1319,1317,1311, &end
#
# trans-omega constraint for residue 89
&rst iat=1340,1338,1336,1321, &end
#
# trans-omega constraint for residue 90
&rst iat=1350,1348,1346,1340, &end
#
# trans-omega constraint for residue 91
&rst iat=1365,1363,1361,1350, &end
#
# trans-omega constraint for residue 92
&rst iat=1379,1377,1375,1365, &end
#
# trans-omega constraint for residue 93
&rst iat=1401,1399,1397,1379, &end
#
# trans-omega constraint for residue 94
&rst iat=1411,1409,1407,1401, &end
#
# trans-omega constraint for residue 95
&rst iat=1418,1416,1414,1411, &end
#
# trans-omega constraint for residue 96
&rst iat=1433,1431,1429,1418, &end
#
# trans-omega constraint for residue 97
&rst iat=1450,1448,1446,1433, &end
#
# trans-omega constraint for residue 98
&rst iat=1462,1460,1458,1450, &end
#
# trans-omega constraint for residue 99
&rst iat=1472,1470,1468,1462, &end
#
# trans-omega constraint for residue 100
&rst iat=1486,1484,1482,1472, &end
#
# trans-omega constraint for residue 101
&rst iat=1505,1503,1501,1486, &end
#
# trans-omega constraint for residue 102
&rst iat=1522,1520,1518,1505, &end
#
# trans-omega constraint for residue 103
&rst iat=1541,1539,1537,1522, &end
#
# trans-omega constraint for residue 104
&rst iat=1563,1561,1559,1541, &end
#
# trans-omega constraint for residue 105
&rst iat=1579,1577,1575,1563, &end
#
# trans-omega constraint for residue 106
&rst iat=1599,1597,1595,1579, &end
#
# trans-omega constraint for residue 107
&rst iat=1609,1607,1605,1599, &end
# 1629 atoms read from pdb file ig3.pdb.
# 2 LYS PHI: (1 GLY C) - (2 LYS N) - (2 LYS CA) - (2 LYS C) -180.0 -40.0
&rst iat = 8, 10, 12, 30,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0,
rk2 = 150.0, rk3 = 150.0, &end
# 3 ASP PHI: (2 LYS C) - (3 ASP N) - (3 ASP CA) - (3 ASP C) -180.0 -40.0
&rst iat = 30, 32, 34, 42,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 4 ILE PHI: (3 ASP C) - (4 ILE N) - (4 ILE CA) - (4 ILE C) -180.0 -40.0
&rst iat = 42, 44, 46, 61,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 5 GLN PHI: (4 ILE C) - (5 GLN N) - (5 GLN CA) - (5 GLN C) -180.0 -40.0
&rst iat = 61, 63, 65, 78,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 6 VAL PHI: (5 GLN C) - (6 VAL N) - (6 VAL CA) - (6 VAL C) -180.0 -40.0
&rst iat = 78, 80, 82, 94,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 7 ILE PHI: (6 VAL C) - (7 ILE N) - (7 ILE CA) - (7 ILE C) -180.0 -40.0
&rst iat = 94, 96, 98, 113,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 8 VAL PHI: (7 ILE C) - (8 VAL N) - (8 VAL CA) - (8 VAL C) -180.0 -40.0
&rst iat = 113, 115, 117, 129,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 8 VAL PHI: (7 ILE C) - (8 VAL N) - (8 VAL CA) - (8 VAL C) -180.0 -40.0
&rst iat = 113, 115, 117, 129,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 57 GLU PHI: (56 GLN C) - (57 GLU N) - (57 GLU CA) - (57 GLU C) -180.0 -40.0
&rst iat = 828, 830, 832, 843,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 60 GLU PHI: (59 ASN C) - (60 GLU N) - (60 GLU CA) - (60 GLU C) -180.0 -40.0
&rst iat = 869, 871, 873, 884,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 70 SER PHI: (69 GLY C) - (70 SER N) - (70 SER CA) - (70 SER C) -180.0 -40.0
&rst iat = 1027, 1029, 1031, 1038,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 106 ALA PHI: (105 PHE C) - (106 ALA N) - (106 ALA CA) - (106 ALA C) -180.0 -40.0
&rst iat = 1595, 1597, 1599, 1605,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 106 ALA PHI: (105 PHE C) - (106 ALA N) - (106 ALA CA) - (106 ALA C) -180.0 -40.0
&rst iat = 1595, 1597, 1599, 1605,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 13 SER PHI: (12 PRO C) - (13 SER N) - (13 SER CA) - (13 SER C) -180.0 -40.0
&rst iat = 187, 189, 191, 198,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 14 VAL PHI: (13 SER C) - (14 VAL N) - (14 VAL CA) - (14 VAL C) -180.0 -40.0
&rst iat = 198, 200, 202, 214,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 15 ARG PHI: (14 VAL C) - (15 ARG N) - (15 ARG CA) - (15 ARG C) -180.0 -40.0
&rst iat = 214, 216, 218, 238,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 20 THR PHI: (19 SER C) - (20 THR N) - (20 THR CA) - (20 THR C) -180.0 -40.0
&rst iat = 300, 302, 304, 314,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 21 MET PHI: (20 THR C) - (21 MET N) - (21 MET CA) - (21 MET C) -180.0 -40.0
&rst iat = 314, 316, 318, 331,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 22 ASN PHI: (21 MET C) - (22 ASN N) - (22 ASN CA) - (22 ASN C) -180.0 -40.0
&rst iat = 331, 333, 335, 345,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 23 ALA PHI: (22 ASN C) - (23 ALA N) - (23 ALA CA) - (23 ALA C) -180.0 -40.0
&rst iat = 345, 347, 349, 355,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 30 SER PHI: (29 GLN C) - (30 SER N) - (30 SER CA) - (30 SER C) -180.0 -40.0
&rst iat = 440, 442, 444, 451,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 31 VAL PHI: (30 SER C) - (31 VAL N) - (31 VAL CA) - (31 VAL C) -180.0 -40.0
&rst iat = 451, 453, 455, 467,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 32 THR PHI: (31 VAL C) - (32 THR N) - (32 THR CA) - (32 THR C) -180.0 -40.0
&rst iat = 467, 469, 471, 481,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 33 LEU PHI: (32 THR C) - (33 LEU N) - (33 LEU CA) - (33 LEU C) -180.0 -40.0
&rst iat = 481, 483, 485, 500,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 34 ALA PHI: (33 LEU C) - (34 ALA N) - (34 ALA CA) - (34 ALA C) -180.0 -40.0
&rst iat = 500, 502, 504, 510,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 35 CYS PHI: (34 ALA C) - (35 CYS N) - (35 CYS CA) - (35 CYS C) -180.0 -40.0
&rst iat = 510, 512, 514, 520,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 36 ASP PHI: (35 CYS C) - (36 ASP N) - (36 ASP CA) - (36 ASP C) -180.0 -40.0
&rst iat = 520, 522, 524, 532,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 37 ALA PHI: (36 ASP C) - (37 ALA N) - (37 ALA CA) - (37 ALA C) -180.0 -40.0
&rst iat = 532, 534, 536, 542,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 38 ASP PHI: (37 ALA C) - (38 ASP N) - (38 ASP CA) - (38 ASP C) -180.0 -40.0
&rst iat = 542, 544, 546, 554,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 44 THR PHI: (43 PRO C) - (44 THR N) - (44 THR CA) - (44 THR C) -180.0 -40.0
&rst iat = 624, 626, 628, 638,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 45 MET PHI: (44 THR C) - (45 MET N) - (45 MET CA) - (45 MET C) -180.0 -40.0
&rst iat = 638, 640, 642, 655,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 46 THR PHI: (45 MET C) - (46 THR N) - (46 THR CA) - (46 THR C) -180.0 -40.0
&rst iat = 655, 657, 659, 669,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 47 TRP PHI: (46 THR C) - (47 TRP N) - (47 TRP CA) - (47 TRP C) -180.0 -40.0
&rst iat = 669, 671, 673, 693,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 48 THR PHI: (47 TRP C) - (48 THR N) - (48 THR CA) - (48 THR C) -180.0 -40.0
&rst iat = 693, 695, 697, 707,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 49 LYS PHI: (48 THR C) - (49 LYS N) - (49 LYS CA) - (49 LYS C) -180.0 -40.0
&rst iat = 707, 709, 711, 729,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 52 GLU PHI: (51 GLY C) - (52 GLU N) - (52 GLU CA) - (52 GLU C) -180.0 -40.0
&rst iat = 748, 750, 752, 763,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 62 LYS PHI: (61 GLU C) - (62 LYS N) - (62 LYS CA) - (62 LYS C) -180.0 -40.0
&rst iat = 899, 901, 903, 921,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 63 TYR PHI: (62 LYS C) - (63 TYR N) - (63 TYR CA) - (63 TYR C) -180.0 -40.0
&rst iat = 921, 923, 925, 942,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 64 SER PHI: (63 TYR C) - (64 SER N) - (64 SER CA) - (64 SER C) -180.0 -40.0
&rst iat = 942, 944, 946, 953,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 65 PHE PHI: (64 SER C) - (65 PHE N) - (65 PHE CA) - (65 PHE C) -180.0 -40.0
&rst iat = 953, 955, 957, 973,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 79 LYS PHI: (78 ASP C) - (79 LYS N) - (79 LYS CA) - (79 LYS C) 155.0 370.0
&rst iat = 1182, 1184, 1186, 1204,
r1 = 145.0, r2 = 155.0, r3 = 370.0, r4 = 380.0, &end
# 80 SER PHI: (79 LYS C) - (80 SER N) - (80 SER CA) - (80 SER C) 155.0 370.0
&rst iat = 1204, 1206, 1208, 1215,
r1 = 145.0, r2 = 155.0, r3 = 370.0, r4 = 380.0, &end
# 81 ASP PHI: (80 SER C) - (81 ASP N) - (81 ASP CA) - (81 ASP C) 155.0 370.0
&rst iat = 1215, 1217, 1219, 1227,
r1 = 145.0, r2 = 155.0, r3 = 370.0, r4 = 380.0, &end
# 83 ALA PHI: (82 GLU C) - (83 ALA N) - (83 ALA CA) - (83 ALA C) -180.0 -40.0
&rst iat = 1242, 1244, 1246, 1252,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 84 GLU PHI: (83 ALA C) - (84 GLU N) - (84 GLU CA) - (84 GLU C) -180.0 -40.0
&rst iat = 1252, 1254, 1256, 1267,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 85 TYR PHI: (84 GLU C) - (85 TYR N) - (85 TYR CA) - (85 TYR C) -180.0 -40.0
&rst iat = 1267, 1269, 1271, 1288,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 86 ILE PHI: (85 TYR C) - (86 ILE N) - (86 ILE CA) - (86 ILE C) -180.0 -40.0
&rst iat = 1288, 1290, 1292, 1307,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 89 ALA PHI: (88 ILE C) - (89 ALA N) - (89 ALA CA) - (89 ALA C) -180.0 -40.0
&rst iat = 1336, 1338, 1340, 1346,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 90 GLU PHI: (89 ALA C) - (90 GLU N) - (90 GLU CA) - (90 GLU C) -180.0 -40.0
&rst iat = 1346, 1348, 1350, 1361,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 91 ASN PHI: (90 GLU C) - (91 ASN N) - (91 ASN CA) - (91 ASN C) -180.0 -40.0
&rst iat = 1361, 1363, 1365, 1375,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 97 ASP PHI: (96 GLN C) - (97 ASP N) - (97 ASP CA) - (97 ASP C) -180.0 -40.0
&rst iat = 1446, 1448, 1450, 1458,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 98 ALA PHI: (97 ASP C) - (98 ALA N) - (98 ALA CA) - (98 ALA C) -180.0 -40.0
&rst iat = 1458, 1460, 1462, 1468,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 99 THR PHI: (98 ALA C) - (99 THR N) - (99 THR CA) - (99 THR C) -180.0 -40.0
&rst iat = 1468, 1470, 1472, 1482,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 100 ILE PHI: (99 THR C) - (100 ILE N) - (100 ILE CA) - (100 ILE C) -180.0 -40.0
&rst iat = 1482, 1484, 1486, 1501,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 102 LEU PHI: (101 HIS C) - (102 LEU N) - (102 LEU CA) - (102 LEU C) -180.0 -40.0
&rst iat = 1518, 1520, 1522, 1537,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 103 LYS PHI: (102 LEU C) - (103 LYS N) - (103 LYS CA) - (103 LYS C) -180.0 -40.0
&rst iat = 1537, 1539, 1541, 1559,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 104 VAL PHI: (103 LYS C) - (104 VAL N) - (104 VAL CA) - (104 VAL C) -180.0 -40.0
&rst iat = 1559, 1561, 1563, 1575,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 104 VAL PHI: (103 LYS C) - (104 VAL N) - (104 VAL CA) - (104 VAL C) -180.0 -40.0
&rst iat = 1559, 1561, 1563, 1575,
r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end
# 26 ASN PHI: (25 ALA C) - (26 ASN N) - (26 ASN CA) - (26 ASN C) 0.0 120.0
&rst iat = 379, 381, 383, 393,
r1 = -10.0, r2 = 0.0, r3 = 120.0, r4 = 130.0, &end
# 28 SER PHI: (27 LEU C) - (28 SER N) - (28 SER CA) - (28 SER C) 0.0 120.0
&rst iat = 412, 414, 416, 423,
r1 = -10.0, r2 = 0.0, r3 = 120.0, r4 = 130.0, &end
# 50 ASP PHI: (49 LYS C) - (50 ASP N) - (50 ASP CA) - (50 ASP C) 0.0 120.0
&rst iat = 729, 731, 733, 741,
r1 = -10.0, r2 = 0.0, r3 = 120.0, r4 = 130.0, &end
# 76 LYS PHI: (75 LYS C) - (76 LYS N) - (76 LYS CA) - (76 LYS C) 0.0 120.0
&rst iat = 1132, 1134, 1136, 1154,
r1 = -10.0, r2 = 0.0, r3 = 120.0, r4 = 130.0, &end
# 76 LYS PHI: (75 LYS C) - (76 LYS N) - (76 LYS CA) - (76 LYS C) 0.0 120.0
&rst iat = 1132, 1134, 1136, 1154,
r1 = -10.0, r2 = 0.0, r3 = 120.0, r4 = 130.0, &end
# 12 PRO PSI: (12 PRO N) - (12 PRO CA) - (12 PRO C) - (13 SER N) 50.0 210.0
&rst iat = 175, 185, 187, 189,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 13 SER PSI: (13 SER N) - (13 SER CA) - (13 SER C) - (14 VAL N) 50.0 210.0
&rst iat = 189, 191, 198, 200,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 14 VAL PSI: (14 VAL N) - (14 VAL CA) - (14 VAL C) - (15 ARG N) 50.0 210.0
&rst iat = 200, 202, 214, 216,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 15 ARG PSI: (15 ARG N) - (15 ARG CA) - (15 ARG C) - (16 ALA N) 50.0 210.0
&rst iat = 216, 218, 238, 240,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 20 THR PSI: (20 THR N) - (20 THR CA) - (20 THR C) - (21 MET N) 50.0 210.0
&rst iat = 302, 304, 314, 316,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 21 MET PSI: (21 MET N) - (21 MET CA) - (21 MET C) - (22 ASN N) 50.0 210.0
&rst iat = 316, 318, 331, 333,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 22 ASN PSI: (22 ASN N) - (22 ASN CA) - (22 ASN C) - (23 ALA N) 50.0 210.0
&rst iat = 333, 335, 345, 347,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 23 ALA PSI: (23 ALA N) - (23 ALA CA) - (23 ALA C) - (24 THR N) 50.0 210.0
&rst iat = 347, 349, 355, 357,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 30 SER PSI: (30 SER N) - (30 SER CA) - (30 SER C) - (31 VAL N) 50.0 210.0
&rst iat = 442, 444, 451, 453,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 31 VAL PSI: (31 VAL N) - (31 VAL CA) - (31 VAL C) - (32 THR N) 50.0 210.0
&rst iat = 453, 455, 467, 469,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 32 THR PSI: (32 THR N) - (32 THR CA) - (32 THR C) - (33 LEU N) 50.0 210.0
&rst iat = 469, 471, 481, 483,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 33 LEU PSI: (33 LEU N) - (33 LEU CA) - (33 LEU C) - (34 ALA N) 50.0 210.0
&rst iat = 483, 485, 500, 502,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 34 ALA PSI: (34 ALA N) - (34 ALA CA) - (34 ALA C) - (35 CYS N) 50.0 210.0
&rst iat = 502, 504, 510, 512,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 35 CYS PSI: (35 CYS N) - (35 CYS CA) - (35 CYS C) - (36 ASP N) 50.0 210.0
&rst iat = 512, 514, 520, 522,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 36 ASP PSI: (36 ASP N) - (36 ASP CA) - (36 ASP C) - (37 ALA N) 50.0 210.0
&rst iat = 522, 524, 532, 534,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 37 ALA PSI: (37 ALA N) - (37 ALA CA) - (37 ALA C) - (38 ASP N) 50.0 210.0
&rst iat = 534, 536, 542, 544,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 38 ASP PSI: (38 ASP N) - (38 ASP CA) - (38 ASP C) - (39 GLY N) 50.0 210.0
&rst iat = 544, 546, 554, 556,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 44 THR PSI: (44 THR N) - (44 THR CA) - (44 THR C) - (45 MET N) 50.0 210.0
&rst iat = 626, 628, 638, 640,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 45 MET PSI: (45 MET N) - (45 MET CA) - (45 MET C) - (46 THR N) 50.0 210.0
&rst iat = 640, 642, 655, 657,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 46 THR PSI: (46 THR N) - (46 THR CA) - (46 THR C) - (47 TRP N) 50.0 210.0
&rst iat = 657, 659, 669, 671,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 47 TRP PSI: (47 TRP N) - (47 TRP CA) - (47 TRP C) - (48 THR N) 50.0 210.0
&rst iat = 671, 673, 693, 695,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 48 THR PSI: (48 THR N) - (48 THR CA) - (48 THR C) - (49 LYS N) 50.0 210.0
&rst iat = 695, 697, 707, 709,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 49 LYS PSI: (49 LYS N) - (49 LYS CA) - (49 LYS C) - (50 ASP N) 50.0 210.0
&rst iat = 709, 711, 729, 731,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 52 GLU PSI: (52 GLU N) - (52 GLU CA) - (52 GLU C) - (53 PRO N) 50.0 210.0
&rst iat = 750, 752, 763, 765,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 62 LYS PSI: (62 LYS N) - (62 LYS CA) - (62 LYS C) - (63 TYR N) 50.0 210.0
&rst iat = 901, 903, 921, 923,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 63 TYR PSI: (63 TYR N) - (63 TYR CA) - (63 TYR C) - (64 SER N) 50.0 210.0
&rst iat = 923, 925, 942, 944,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 64 SER PSI: (64 SER N) - (64 SER CA) - (64 SER C) - (65 PHE N) 50.0 210.0
&rst iat = 944, 946, 953, 955,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 65 PHE PSI: (65 PHE N) - (65 PHE CA) - (65 PHE C) - (66 ASN N) 50.0 210.0
&rst iat = 955, 957, 973, 975,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 79 LYS PSI: (79 LYS N) - (79 LYS CA) - (79 LYS C) - (80 SER N) -120.0 30.0
&rst iat = 1184, 1186, 1204, 1206,
r1 = -130.0, r2 = -120.0, r3 = 30.0, r4 = 40.0, &end
# 80 SER PSI: (80 SER N) - (80 SER CA) - (80 SER C) - (81 ASP N) -120.0 30.0
&rst iat = 1206, 1208, 1215, 1217,
r1 = -130.0, r2 = -120.0, r3 = 30.0, r4 = 40.0, &end
# 81 ASP PSI: (81 ASP N) - (81 ASP CA) - (81 ASP C) - (82 GLU N) -120.0 30.0
&rst iat = 1217, 1219, 1227, 1229,
r1 = -130.0, r2 = -120.0, r3 = 30.0, r4 = 40.0, &end
# 83 ALA PSI: (83 ALA N) - (83 ALA CA) - (83 ALA C) - (84 GLU N) 50.0 210.0
&rst iat = 1244, 1246, 1252, 1254,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 84 GLU PSI: (84 GLU N) - (84 GLU CA) - (84 GLU C) - (85 TYR N) 50.0 210.0
&rst iat = 1254, 1256, 1267, 1269,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 85 TYR PSI: (85 TYR N) - (85 TYR CA) - (85 TYR C) - (86 ILE N) 50.0 210.0
&rst iat = 1269, 1271, 1288, 1290,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 86 ILE PSI: (86 ILE N) - (86 ILE CA) - (86 ILE C) - (87 CYS N) 50.0 210.0
&rst iat = 1290, 1292, 1307, 1309,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 89 ALA PSI: (89 ALA N) - (89 ALA CA) - (89 ALA C) - (90 GLU N) 50.0 210.0
&rst iat = 1338, 1340, 1346, 1348,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 90 GLU PSI: (90 GLU N) - (90 GLU CA) - (90 GLU C) - (91 ASN N) 50.0 210.0
&rst iat = 1348, 1350, 1361, 1363,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 91 ASN PSI: (91 ASN N) - (91 ASN CA) - (91 ASN C) - (92 LYS N) 50.0 210.0
&rst iat = 1363, 1365, 1375, 1377,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 97 ASP PSI: (97 ASP N) - (97 ASP CA) - (97 ASP C) - (98 ALA N) 50.0 210.0
&rst iat = 1448, 1450, 1458, 1460,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 98 ALA PSI: (98 ALA N) - (98 ALA CA) - (98 ALA C) - (99 THR N) 50.0 210.0
&rst iat = 1460, 1462, 1468, 1470,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 99 THR PSI: (99 THR N) - (99 THR CA) - (99 THR C) - (100 ILE N) 50.0 210.0
&rst iat = 1470, 1472, 1482, 1484,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 100 ILE PSI: (100 ILE N) - (100 ILE CA) - (100 ILE C) - (101 HIS N) 50.0 210.0
&rst iat = 1484, 1486, 1501, 1503,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 102 LEU PSI: (102 LEU N) - (102 LEU CA) - (102 LEU C) - (103 LYS N) 50.0 210.0
&rst iat = 1520, 1522, 1537, 1539,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 103 LYS PSI: (103 LYS N) - (103 LYS CA) - (103 LYS C) - (104 VAL N) 50.0 210.0
&rst iat = 1539, 1541, 1559, 1561,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 104 VAL PSI: (104 VAL N) - (104 VAL CA) - (104 VAL C) - (105 PHE N) 50.0 210.0
&rst iat = 1561, 1563, 1575, 1577,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 104 VAL PSI: (104 VAL N) - (104 VAL CA) - (104 VAL C) - (105 PHE N) 50.0 210.0
&rst iat = 1561, 1563, 1575, 1577,
r1 = 40.0, r2 = 50.0, r3 = 210.0, r4 = 220.0, &end
# 4 ILE CHI1: (4 ILE N) - (4 ILE CA) - (4 ILE CB) - (4 ILE CG1) -80.0 -40.0
&rst iat = 44, 46, 48, 54,
r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end
# 6 VAL CHI1: (6 VAL N) - (6 VAL CA) - (6 VAL CB) - (6 VAL CG1) 160.0 200.0
&rst iat = 80, 82, 84, 86,
r1 = 150.0, r2 = 160.0, r3 = 200.0, r4 = 210.0, &end
# 7 ILE CHI1: (7 ILE N) - (7 ILE CA) - (7 ILE CB) - (7 ILE CG1) -80.0 -40.0
&rst iat = 96, 98, 100, 106,
r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end
# 8 VAL CHI1: (8 VAL N) - (8 VAL CA) - (8 VAL CB) - (8 VAL CG1) 160.0 200.0
&rst iat = 115, 117, 119, 121,
r1 = 150.0, r2 = 160.0, r3 = 200.0, r4 = 210.0, &end
# 10 VAL CHI1: (10 VAL N) - (10 VAL CA) - (10 VAL CB) - (10 VAL CG1) 160.0 200.0
&rst iat = 145, 147, 149, 151,
r1 = 150.0, r2 = 160.0, r3 = 200.0, r4 = 210.0, &end
# 20 THR CHI1: (20 THR N) - (20 THR CA) - (20 THR CB) - (20 THR OG1) -80.0 -40.0
&rst iat = 302, 304, 306, 312,
r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end
# 21 MET CHI1: (21 MET N) - (21 MET CA) - (21 MET CB) - (21 MET CG) -80.0 -40.0
&rst iat = 316, 318, 320, 323,
r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end
# 24 THR CHI1: (24 THR N) - (24 THR CA) - (24 THR CB) - (24 THR OG1) -80.0 -40.0
&rst iat = 357, 359, 361, 367,
r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end
# 31 VAL CHI1: (31 VAL N) - (31 VAL CA) - (31 VAL CB) - (31 VAL CG1) 160.0 200.0
&rst iat = 453, 455, 457, 459,
r1 = 150.0, r2 = 160.0, r3 = 200.0, r4 = 210.0, &end
# 33 LEU CHI1: (33 LEU N) - (33 LEU CA) - (33 LEU CB) - (33 LEU CG) 40.0 80.0
&rst iat = 483, 485, 487, 490,
r1 = 30.0, r2 = 40.0, r3 = 80.0, r4 = 90.0, &end
# 36 ASP CHI1: (36 ASP N) - (36 ASP CA) - (36 ASP CB) - (36 ASP CG) 40.0 80.0
&rst iat = 522, 524, 526, 529,
r1 = 30.0, r2 = 40.0, r3 = 80.0, r4 = 90.0, &end
# 44 THR CHI1: (44 THR N) - (44 THR CA) - (44 THR CB) - (44 THR OG1) -80.0 -40.0
&rst iat = 626, 628, 630, 636,
r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end
# 45 MET CHI1: (45 MET N) - (45 MET CA) - (45 MET CB) - (45 MET CG) 40.0 80.0
&rst iat = 640, 642, 644, 647,
r1 = 30.0, r2 = 40.0, r3 = 80.0, r4 = 90.0, &end
# 47 TRP CHI1: (47 TRP N) - (47 TRP CA) - (47 TRP CB) - (47 TRP CG) 40.0 80.0
&rst iat = 671, 673, 675, 678,
r1 = 30.0, r2 = 40.0, r3 = 80.0, r4 = 90.0, &end
# 52 GLU CHI1: (52 GLU N) - (52 GLU CA) - (52 GLU CB) - (52 GLU CG) 40.0 80.0
&rst iat = 750, 752, 754, 757,
r1 = 30.0, r2 = 40.0, r3 = 80.0, r4 = 90.0, &end
# 54 ILE CHI1: (54 ILE N) - (54 ILE CA) - (54 ILE CB) - (54 ILE CG1) -80.0 -40.0
&rst iat = 779, 781, 783, 789,
r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end
# 55 GLU CHI1: (55 GLU N) - (55 GLU CA) - (55 GLU CB) - (55 GLU CG) 40.0 80.0
&rst iat = 798, 800, 802, 805,
r1 = 30.0, r2 = 40.0, r3 = 80.0, r4 = 90.0, &end
# 65 PHE CHI1: (65 PHE N) - (65 PHE CA) - (65 PHE CB) - (65 PHE CG) 40.0 80.0
&rst iat = 955, 957, 959, 962,
r1 = 30.0, r2 = 40.0, r3 = 80.0, r4 = 90.0, &end
# 73 ILE CHI1: (73 ILE N) - (73 ILE CA) - (73 ILE CB) - (73 ILE CG1) -80.0 -40.0
&rst iat = 1074, 1076, 1078, 1084,
r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end
# 74 ILE CHI1: (74 ILE N) - (74 ILE CA) - (74 ILE CB) - (74 ILE CG1) -80.0 -40.0
&rst iat = 1093, 1095, 1097, 1103,
r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end
# 77 VAL CHI1: (77 VAL N) - (77 VAL CA) - (77 VAL CB) - (77 VAL CG1) 160.0 200.0
&rst iat = 1156, 1158, 1160, 1162,
r1 = 150.0, r2 = 160.0, r3 = 200.0, r4 = 210.0, &end
# 80 SER CHI1: (80 SER N) - (80 SER CA) - (80 SER CB) - (80 SER OG) 40.0 80.0
&rst iat = 1206, 1208, 1210, 1213,
r1 = 30.0, r2 = 40.0, r3 = 80.0, r4 = 90.0, &end
# 86 ILE CHI1: (86 ILE N) - (86 ILE CA) - (86 ILE CB) - (86 ILE CG1) -80.0 -40.0
&rst iat = 1290, 1292, 1294, 1300,
r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end
# 87 CYS CHI1: (87 CYS N) - (87 CYS CA) - (87 CYS CB) - (87 CYS SG) 40.0 80.0
&rst iat = 1309, 1311, 1313, 1316,
r1 = 30.0, r2 = 40.0, r3 = 80.0, r4 = 90.0, &end
# 88 ILE CHI1: (88 ILE N) - (88 ILE CA) - (88 ILE CB) - (88 ILE CG1) -80.0 -40.0
&rst iat = 1319, 1321, 1323, 1329,
r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end
# 99 THR CHI1: (99 THR N) - (99 THR CA) - (99 THR CB) - (99 THR OG1) -80.0 -40.0
&rst iat = 1470, 1472, 1474, 1480,
r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end
# 105 PHE CHI1: (105 PHE N) - (105 PHE CA) - (105 PHE CB) - (105 PHE CG) 40.0 80.0
&rst iat = 1577, 1579, 1581, 1584,
r1 = 30.0, r2 = 40.0, r3 = 80.0, r4 = 90.0, &end