NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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491650 |
2jts   |
cing | 1-original | 1 | AMBER | dihedral angle |
# 1324 atoms read from pdb file PspE_holo_amber.pdb. # 2 GLU PHI: (1 ALA C)-(2 GLU N)-(2 GLU CA)-(2 GLU C) -148.0 -88.0 &rst iat = 11, 13, 15, 26, r1 = -149.0, r2 = -148.0, r3 = -88.0, r4 = -87.0, rk2 = 10.0, rk3 = 10.0, &end # 2 GLU PSI: (2 GLU N)-(2 GLU CA)-(2 GLU C)-(3 HIS N) 112.0 172.0 &rst iat = 13, 15, 26, 28, r1 = 111.0, r2 = 112.0, r3 = 172.0, r4 = 173.0, &end # 3 HIS PHI: (2 GLU C)-(3 HIS N)-(3 HIS CA)-(3 HIS C) -150.4 -90.5 &rst iat = 26, 28, 30, 43, r1 = -151.4, r2 = -150.4, r3 = -90.5, r4 = -89.5, &end # 3 HIS PSI: (3 HIS N)-(3 HIS CA)-(3 HIS C)-(4 TRP N) 96.6 156.6 &rst iat = 28, 30, 43, 45, r1 = 95.6, r2 = 96.6, r3 = 156.6, r4 = 157.6, &end # 4 TRP PHI: (3 HIS C)-(4 TRP N)-(4 TRP CA)-(4 TRP C) -133.9 -74.0 &rst iat = 43, 45, 47, 67, r1 = -134.9, r2 = -133.9, r3 = -74.0, r4 = -73.0, &end # 4 TRP PSI: (4 TRP N)-(4 TRP CA)-(4 TRP C)-(5 ILE N) 99.7 159.7 &rst iat = 45, 47, 67, 69, r1 = 98.7, r2 = 99.7, r3 = 159.7, r4 = 160.7, &end # 11 GLU PHI: (10 PRO C)-(11 GLU N)-(11 GLU CA)-(11 GLU C) -96.1 -36.1 &rst iat = 168, 170, 172, 183, r1 = -97.1, r2 = -96.1, r3 = -36.1, r4 = -35.1, &end # 11 GLU PSI: (11 GLU N)-(11 GLU CA)-(11 GLU C)-(12 GLN N) -71.3 -11.4 &rst iat = 170, 172, 183, 185, r1 = -72.3, r2 = -71.3, r3 = -11.4, r4 = -10.4, &end # 12 GLN PHI: (11 GLU C)-(12 GLN N)-(12 GLN CA)-(12 GLN C) -94.0 -34.0 &rst iat = 183, 185, 187, 200, r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0, &end # 12 GLN PSI: (12 GLN N)-(12 GLN CA)-(12 GLN C)-(13 TYR N) -74.1 -14.1 &rst iat = 185, 187, 200, 202, r1 = -75.1, r2 = -74.1, r3 = -14.1, r4 = -13.1, &end # 13 TYR PHI: (12 GLN C)-(13 TYR N)-(13 TYR CA)-(13 TYR C) -93.0 -33.0 &rst iat = 200, 202, 204, 221, r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0, &end # 13 TYR PSI: (13 TYR N)-(13 TYR CA)-(13 TYR C)-(14 GLN N) -73.2 -13.1 &rst iat = 202, 204, 221, 223, r1 = -74.2, r2 = -73.2, r3 = -13.1, r4 = -12.1, &end # 17 HIS PHI: (16 GLU C)-(17 HIS N)-(17 HIS CA)-(17 HIS C) -146.4 -86.4 &rst iat = 270, 272, 274, 287, r1 = -147.4, r2 = -146.4, r3 = -86.4, r4 = -85.4, &end # 17 HIS PSI: (17 HIS N)-(17 HIS CA)-(17 HIS C)-(18 VAL N) 106.3 166.3 &rst iat = 272, 274, 287, 289, r1 = 105.3, r2 = 106.3, r3 = 166.3, r4 = 167.3, &end # 26 LEU PHI: (25 PRO C)-(26 LEU N)-(26 LEU CA)-(26 LEU C) -91.4 -31.4 &rst iat = 403, 405, 407, 422, r1 = -92.4, r2 = -91.4, r3 = -31.4, r4 = -30.4, &end # 26 LEU PSI: (26 LEU N)-(26 LEU CA)-(26 LEU C)-(27 LYS N) -61.1 -1.1 &rst iat = 405, 407, 422, 424, r1 = -62.1, r2 = -61.1, r3 = -1.1, r4 = -0.1, &end # 27 LYS PHI: (26 LEU C)-(27 LYS N)-(27 LYS CA)-(27 LYS C) -112.0 -52.0 &rst iat = 422, 424, 426, 444, r1 = -113.0, r2 = -112.0, r3 = -52.0, r4 = -51.0, &end # 27 LYS PSI: (27 LYS N)-(27 LYS CA)-(27 LYS C)-(28 GLU N) -48.3 11.7 &rst iat = 424, 426, 444, 446, r1 = -49.3, r2 = -48.3, r3 = 11.7, r4 = 12.7, &end # 29 VAL PHI: (28 GLU C)-(29 VAL N)-(29 VAL CA)-(29 VAL C) -92.7 -32.6 &rst iat = 459, 461, 463, 475, r1 = -93.7, r2 = -92.7, r3 = -32.6, r4 = -31.6, &end # 29 VAL PSI: (29 VAL N)-(29 VAL CA)-(29 VAL C)-(30 LYS N) -70.8 -10.8 &rst iat = 461, 463, 475, 477, r1 = -71.8, r2 = -70.8, r3 = -10.8, r4 = -9.8, &end # 30 LYS PHI: (29 VAL C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -90.3 -30.3 &rst iat = 475, 477, 479, 497, r1 = -91.3, r2 = -90.3, r3 = -30.3, r4 = -29.3, &end # 30 LYS PSI: (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 GLU N) -67.8 -7.8 &rst iat = 477, 479, 497, 499, r1 = -68.8, r2 = -67.8, r3 = -7.8, r4 = -6.8, &end # 31 GLU PHI: (30 LYS C)-(31 GLU N)-(31 GLU CA)-(31 GLU C) -108.5 -48.5 &rst iat = 497, 499, 501, 512, r1 = -109.5, r2 = -108.5, r3 = -48.5, r4 = -47.5, &end # 31 GLU PSI: (31 GLU N)-(31 GLU CA)-(31 GLU C)-(32 ARG N) -53.1 6.9 &rst iat = 499, 501, 512, 514, r1 = -54.1, r2 = -53.1, r3 = 6.9, r4 = 7.9, &end # 34 ALA PHI: (33 ILE C)-(34 ALA N)-(34 ALA CA)-(34 ALA C) -93.7 -33.7 &rst iat = 555, 557, 559, 565, r1 = -94.7, r2 = -93.7, r3 = -33.7, r4 = -32.7, &end # 34 ALA PSI: (34 ALA N)-(34 ALA CA)-(34 ALA C)-(35 THR N) -68.0 -8.0 &rst iat = 557, 559, 565, 567, r1 = -69.0, r2 = -68.0, r3 = -8.0, r4 = -7.0, &end # 43 THR PHI: (42 ASP C)-(43 THR N)-(43 THR CA)-(43 THR C) -129.1 -69.1 &rst iat = 679, 681, 683, 693, r1 = -130.1, r2 = -129.1, r3 = -69.1, r4 = -68.1, &end # 43 THR PSI: (43 THR N)-(43 THR CA)-(43 THR C)-(44 VAL N) 99.3 159.3 &rst iat = 681, 683, 693, 695, r1 = 98.3, r2 = 99.3, r3 = 159.3, r4 = 160.3, &end # 44 VAL PHI: (43 THR C)-(44 VAL N)-(44 VAL CA)-(44 VAL C) -151.4 -91.4 &rst iat = 693, 695, 697, 709, r1 = -152.4, r2 = -151.4, r3 = -91.4, r4 = -90.4, &end # 44 VAL PSI: (44 VAL N)-(44 VAL CA)-(44 VAL C)-(45 LYS N) 98.5 158.5 &rst iat = 695, 697, 709, 711, r1 = 97.5, r2 = 98.5, r3 = 158.5, r4 = 159.5, &end # 45 LYS PHI: (44 VAL C)-(45 LYS N)-(45 LYS CA)-(45 LYS C) -127.9 -67.9 &rst iat = 709, 711, 713, 731, r1 = -128.9, r2 = -127.9, r3 = -67.9, r4 = -66.9, &end # 45 LYS PSI: (45 LYS N)-(45 LYS CA)-(45 LYS C)-(46 VAL N) 107.1 167.1 &rst iat = 711, 713, 731, 733, r1 = 106.1, r2 = 107.1, r3 = 167.1, r4 = 168.1, &end # 46 VAL PHI: (45 LYS C)-(46 VAL N)-(46 VAL CA)-(46 VAL C) -157.1 -97.1 &rst iat = 731, 733, 735, 747, r1 = -158.1, r2 = -157.1, r3 = -97.1, r4 = -96.1, &end # 46 VAL PSI: (46 VAL N)-(46 VAL CA)-(46 VAL C)-(47 TYR N) 113.7 173.7 &rst iat = 733, 735, 747, 749, r1 = 112.7, r2 = 113.7, r3 = 173.7, r4 = 174.7, &end # 52 ARG PHI: (51 GLY C)-(52 ARG N)-(52 ARG CA)-(52 ARG C) -100.1 -40.1 &rst iat = 810, 812, 814, 834, r1 = -101.1, r2 = -100.1, r3 = -40.1, r4 = -39.1, &end # 52 ARG PSI: (52 ARG N)-(52 ARG CA)-(52 ARG C)-(53 GLN N) -54.7 5.3 &rst iat = 812, 814, 834, 836, r1 = -55.7, r2 = -54.7, r3 = 5.3, r4 = 6.3, &end # 53 GLN PHI: (52 ARG C)-(53 GLN N)-(53 GLN CA)-(53 GLN C) -92.9 -32.9 &rst iat = 834, 836, 838, 851, r1 = -93.9, r2 = -92.9, r3 = -32.9, r4 = -31.9, &end # 53 GLN PSI: (53 GLN N)-(53 GLN CA)-(53 GLN C)-(54 SER N) -72.1 -12.1 &rst iat = 836, 838, 851, 853, r1 = -73.1, r2 = -72.1, r3 = -12.1, r4 = -11.1, &end # 54 SER PHI: (53 GLN C)-(54 SER N)-(54 SER CA)-(54 SER C) -98.3 -38.3 &rst iat = 851, 853, 855, 862, r1 = -99.3, r2 = -98.3, r3 = -38.3, r4 = -37.3, &end # 54 SER PSI: (54 SER N)-(54 SER CA)-(54 SER C)-(55 GLY N) -71.5 -11.5 &rst iat = 853, 855, 862, 864, r1 = -72.5, r2 = -71.5, r3 = -11.5, r4 = -10.5, &end # 55 GLY PHI: (54 SER C)-(55 GLY N)-(55 GLY CA)-(55 GLY C) -94.1 -34.1 &rst iat = 862, 864, 866, 869, r1 = -95.1, r2 = -94.1, r3 = -34.1, r4 = -33.1, &end # 55 GLY PSI: (55 GLY N)-(55 GLY CA)-(55 GLY C)-(56 GLN N) -71.6 -11.6 &rst iat = 864, 866, 869, 871, r1 = -72.6, r2 = -71.6, r3 = -11.6, r4 = -10.6, &end # 56 GLN PHI: (55 GLY C)-(56 GLN N)-(56 GLN CA)-(56 GLN C) -98.0 -38.0 &rst iat = 869, 871, 873, 886, r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0, &end # 56 GLN PSI: (56 GLN N)-(56 GLN CA)-(56 GLN C)-(57 ALA N) -70.5 -10.5 &rst iat = 871, 873, 886, 888, r1 = -71.5, r2 = -70.5, r3 = -10.5, r4 = -9.5, &end # 58 LYS PHI: (57 ALA C)-(58 LYS N)-(58 LYS CA)-(58 LYS C) -94.4 -34.4 &rst iat = 896, 898, 900, 918, r1 = -95.4, r2 = -94.4, r3 = -34.4, r4 = -33.4, &end # 58 LYS PSI: (58 LYS N)-(58 LYS CA)-(58 LYS C)-(59 GLU N) -72.5 -12.5 &rst iat = 898, 900, 918, 920, r1 = -73.5, r2 = -72.5, r3 = -12.5, r4 = -11.5, &end # 59 GLU PHI: (58 LYS C)-(59 GLU N)-(59 GLU CA)-(59 GLU C) -96.0 -36.0 &rst iat = 918, 920, 922, 933, r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0, &end # 59 GLU PSI: (59 GLU N)-(59 GLU CA)-(59 GLU C)-(60 ILE N) -69.9 -9.9 &rst iat = 920, 922, 933, 935, r1 = -70.9, r2 = -69.9, r3 = -9.9, r4 = -8.9, &end # 60 ILE PHI: (59 GLU C)-(60 ILE N)-(60 ILE CA)-(60 ILE C) -93.4 -33.4 &rst iat = 933, 935, 937, 952, r1 = -94.4, r2 = -93.4, r3 = -33.4, r4 = -32.4, &end # 60 ILE PSI: (60 ILE N)-(60 ILE CA)-(60 ILE C)-(61 LEU N) -71.1 -11.1 &rst iat = 935, 937, 952, 954, r1 = -72.1, r2 = -71.1, r3 = -11.1, r4 = -10.1, &end # 61 LEU PHI: (60 ILE C)-(61 LEU N)-(61 LEU CA)-(61 LEU C) -94.0 -34.0 &rst iat = 952, 954, 956, 971, r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0, &end # 61 LEU PSI: (61 LEU N)-(61 LEU CA)-(61 LEU C)-(62 SER N) -69.9 -9.9 &rst iat = 954, 956, 971, 973, r1 = -70.9, r2 = -69.9, r3 = -9.9, r4 = -8.9, &end # 62 SER PHI: (61 LEU C)-(62 SER N)-(62 SER CA)-(62 SER C) -96.6 -36.6 &rst iat = 971, 973, 975, 982, r1 = -97.6, r2 = -96.6, r3 = -36.6, r4 = -35.6, &end # 62 SER PSI: (62 SER N)-(62 SER CA)-(62 SER C)-(63 GLU N) -64.7 -4.6 &rst iat = 973, 975, 982, 984, r1 = -65.7, r2 = -64.7, r3 = -4.6, r4 = -3.6, &end # 63 GLU PHI: (62 SER C)-(63 GLU N)-(63 GLU CA)-(63 GLU C) -98.8 -38.8 &rst iat = 982, 984, 986, 997, r1 = -99.8, r2 = -98.8, r3 = -38.8, r4 = -37.8, &end # 63 GLU PSI: (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 MET N) -55.3 4.7 &rst iat = 984, 986, 997, 999, r1 = -56.3, r2 = -55.3, r3 = 4.7, r4 = 5.7, &end # 69 VAL PHI: (68 HIS C)-(69 VAL N)-(69 VAL CA)-(69 VAL C) -140.4 -80.4 &rst iat = 1073, 1075, 1077, 1089, r1 = -141.4, r2 = -140.4, r3 = -80.4, r4 = -79.4, &end # 69 VAL PSI: (69 VAL N)-(69 VAL CA)-(69 VAL C)-(70 GLU N) 106.4 166.4 &rst iat = 1075, 1077, 1089, 1091, r1 = 105.4, r2 = 106.4, r3 = 166.4, r4 = 167.4, &end # 71 ASN PHI: (70 GLU C)-(71 ASN N)-(71 ASN CA)-(71 ASN C) -118.3 -58.3 &rst iat = 1104, 1106, 1108, 1118, r1 = -119.3, r2 = -118.3, r3 = -58.3, r4 = -57.3, &end # 71 ASN PSI: (71 ASN N)-(71 ASN CA)-(71 ASN C)-(72 ALA N) 95.2 155.2 &rst iat = 1106, 1108, 1118, 1120, r1 = 94.2, r2 = 95.2, r3 = 155.2, r4 = 156.2, &end # 82 LYS PHI: (81 PRO C)-(82 LYS N)-(82 LYS CA)-(82 LYS C) -140.5 -80.5 &rst iat = 1255, 1257, 1259, 1277, r1 = -141.5, r2 = -140.5, r3 = -80.5, r4 = -79.5, &end # 82 LYS PSI: (82 LYS N)-(82 LYS CA)-(82 LYS C)-(83 VAL N) 117.5 177.5 &rst iat = 1257, 1259, 1277, 1279, r1 = 116.5, r2 = 117.5, r3 = 177.5, r4 = 178.5, &end # 83 VAL PHI: (82 LYS C)-(83 VAL N)-(83 VAL CA)-(83 VAL C) -142.4 -82.4 &rst iat = 1277, 1279, 1281, 1293, r1 = -143.4, r2 = -142.4, r3 = -82.4, r4 = -81.4, &end # 83 VAL PSI: (83 VAL N)-(83 VAL CA)-(83 VAL C)-(84 LYS N) 101.3 161.3 &rst iat = 1279, 1281, 1293, 1295, r1 = 100.3, r2 = 101.3, r3 = 161.3, r4 = 162.3, &end # 84 LYS PHI: (83 VAL C)-(84 LYS N)-(84 LYS CA)-(84 LYS C) -130.9 -70.9 &rst iat = 1293, 1295, 1297, 1315, r1 = -131.9, r2 = -130.9, r3 = -70.9, r4 = -69.9, &end # 84 LYS PSI: (84 LYS N)-(84 LYS CA)-(84 LYS C)-(85 GLY N) 93.8 153.8 &rst iat = 1295, 1297, 1315, 1317, r1 = 92.8, r2 = 93.8, r3 = 153.8, r4 = 154.8, &end
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