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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491639 |
2jtr   |
cing | 1-original | 1 | AMBER | dihedral angle |
# 1324 atoms read from pdb file PspE_s_amber.pdb. # 2 GLU PHI: (1 ALA C)-(2 GLU N)-(2 GLU CA)-(2 GLU C) -143.0 -83.0 &rst iat = 11, 13, 15, 26, r1 = -144.0, r2 = -143.0, r3 = -83.0, r4 = -82.0, rk2 = 10.0, rk3 = 10.0, &end # 2 GLU PSI: (2 GLU N)-(2 GLU CA)-(2 GLU C)-(3 HIS N) 115.0 175.0 &rst iat = 13, 15, 26, 28, r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0, &end # 3 HIS PHI: (2 GLU C)-(3 HIS N)-(3 HIS CA)-(3 HIS C) -151.1 -91.0 &rst iat = 26, 28, 30, 43, r1 = -152.1, r2 = -151.1, r3 = -91.0, r4 = -90.0, &end # 3 HIS PSI: (3 HIS N)-(3 HIS CA)-(3 HIS C)-(4 TRP N) 97.3 157.3 &rst iat = 28, 30, 43, 45, r1 = 96.3, r2 = 97.3, r3 = 157.3, r4 = 158.3, &end # 4 TRP PHI: (3 HIS C)-(4 TRP N)-(4 TRP CA)-(4 TRP C) -133.9 -73.9 &rst iat = 43, 45, 47, 67, r1 = -134.9, r2 = -133.9, r3 = -73.9, r4 = -72.9, &end # 4 TRP PSI: (4 TRP N)-(4 TRP CA)-(4 TRP C)-(5 ILE N) 101.1 161.1 &rst iat = 45, 47, 67, 69, r1 = 100.1, r2 = 101.1, r3 = 161.1, r4 = 162.1, &end # 6 ASP PHI: (5 ILE C)-(6 ASP N)-(6 ASP CA)-(6 ASP C) -128.4 -68.4 &rst iat = 86, 88, 90, 98, r1 = -129.4, r2 = -128.4, r3 = -68.4, r4 = -67.4, &end # 6 ASP PSI: (6 ASP N)-(6 ASP CA)-(6 ASP C)-(7 VAL N) 109.2 169.2 &rst iat = 88, 90, 98, 100, r1 = 108.2, r2 = 109.2, r3 = 169.2, r4 = 170.2, &end # 11 GLU PHI: (10 PRO C)-(11 GLU N)-(11 GLU CA)-(11 GLU C) -95.8 -35.8 &rst iat = 168, 170, 172, 183, r1 = -96.8, r2 = -95.8, r3 = -35.8, r4 = -34.8, &end # 11 GLU PSI: (11 GLU N)-(11 GLU CA)-(11 GLU C)-(12 GLN N) -70.9 -10.9 &rst iat = 170, 172, 183, 185, r1 = -71.9, r2 = -70.9, r3 = -10.9, r4 = -9.9, &end # 12 GLN PHI: (11 GLU C)-(12 GLN N)-(12 GLN CA)-(12 GLN C) -95.1 -35.1 &rst iat = 183, 185, 187, 200, r1 = -96.1, r2 = -95.1, r3 = -35.1, r4 = -34.1, &end # 12 GLN PSI: (12 GLN N)-(12 GLN CA)-(12 GLN C)-(13 TYR N) -71.2 -11.2 &rst iat = 185, 187, 200, 202, r1 = -72.2, r2 = -71.2, r3 = -11.2, r4 = -10.2, &end # 13 TYR PHI: (12 GLN C)-(13 TYR N)-(13 TYR CA)-(13 TYR C) -94.2 -34.2 &rst iat = 200, 202, 204, 221, r1 = -95.2, r2 = -94.2, r3 = -34.2, r4 = -33.2, &end # 13 TYR PSI: (13 TYR N)-(13 TYR CA)-(13 TYR C)-(14 GLN N) -70.8 -10.9 &rst iat = 202, 204, 221, 223, r1 = -71.8, r2 = -70.8, r3 = -10.9, r4 = -9.9, &end # 23 ASN PHI: (22 ILE C)-(23 ASN N)-(23 ASN CA)-(23 ASN C) -131.0 -71.0 &rst iat = 356, 358, 360, 370, r1 = -132.0, r2 = -131.0, r3 = -71.0, r4 = -70.0, &end # 23 ASN PSI: (23 ASN N)-(23 ASN CA)-(23 ASN C)-(24 ILE N) 89.8 149.8 &rst iat = 358, 360, 370, 372, r1 = 88.8, r2 = 89.8, r3 = 149.8, r4 = 150.8, &end # 26 LEU PHI: (25 PRO C)-(26 LEU N)-(26 LEU CA)-(26 LEU C) -98.9 -38.9 &rst iat = 403, 405, 407, 422, r1 = -99.9, r2 = -98.9, r3 = -38.9, r4 = -37.9, &end # 26 LEU PSI: (26 LEU N)-(26 LEU CA)-(26 LEU C)-(27 LYS N) -64.7 -4.6 &rst iat = 405, 407, 422, 424, r1 = -65.7, r2 = -64.7, r3 = -4.6, r4 = -3.6, &end # 27 LYS PHI: (26 LEU C)-(27 LYS N)-(27 LYS CA)-(27 LYS C) -113.6 -53.6 &rst iat = 422, 424, 426, 444, r1 = -114.6, r2 = -113.6, r3 = -53.6, r4 = -52.6, &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) -92.6 -32.6 &rst iat = 459, 461, 463, 475, r1 = -93.6, r2 = -92.6, r3 = -32.6, r4 = -31.6, &end # 29 VAL PSI: (29 VAL N)-(29 VAL CA)-(29 VAL C)-(30 LYS N) -72.0 -12.0 &rst iat = 461, 463, 475, 477, r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0, &end # 30 LYS PHI: (29 VAL C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -92.9 -32.9 &rst iat = 475, 477, 479, 497, r1 = -93.9, r2 = -92.9, r3 = -32.9, r4 = -31.9, &end # 30 LYS PSI: (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 GLU N) -66.5 -6.5 &rst iat = 477, 479, 497, 499, r1 = -67.5, r2 = -66.5, r3 = -6.5, r4 = -5.5, &end # 31 GLU PHI: (30 LYS C)-(31 GLU N)-(31 GLU CA)-(31 GLU C) -99.3 -39.3 &rst iat = 497, 499, 501, 512, r1 = -100.3, r2 = -99.3, r3 = -39.3, r4 = -38.3, &end # 31 GLU PSI: (31 GLU N)-(31 GLU CA)-(31 GLU C)-(32 ARG N) -57.5 2.5 &rst iat = 499, 501, 512, 514, r1 = -58.5, r2 = -57.5, r3 = 2.5, r4 = 3.5, &end # 43 THR PHI: (42 ASP C)-(43 THR N)-(43 THR CA)-(43 THR C) -127.8 -67.8 &rst iat = 679, 681, 683, 693, r1 = -128.8, r2 = -127.8, r3 = -67.8, r4 = -66.8, &end # 43 THR PSI: (43 THR N)-(43 THR CA)-(43 THR C)-(44 VAL N) 104.0 164.0 &rst iat = 681, 683, 693, 695, r1 = 103.0, r2 = 104.0, r3 = 164.0, r4 = 165.0, &end # 44 VAL PHI: (43 THR C)-(44 VAL N)-(44 VAL CA)-(44 VAL C) -146.7 -86.7 &rst iat = 693, 695, 697, 709, r1 = -147.7, r2 = -146.7, r3 = -86.7, r4 = -85.7, &end # 44 VAL PSI: (44 VAL N)-(44 VAL CA)-(44 VAL C)-(45 LYS N) 101.0 161.0 &rst iat = 695, 697, 709, 711, r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0, &end # 45 LYS PHI: (44 VAL C)-(45 LYS N)-(45 LYS CA)-(45 LYS C) -120.3 -60.3 &rst iat = 709, 711, 713, 731, r1 = -121.3, r2 = -120.3, r3 = -60.3, r4 = -59.3, &end # 45 LYS PSI: (45 LYS N)-(45 LYS CA)-(45 LYS C)-(46 VAL N) 98.5 158.5 &rst iat = 711, 713, 731, 733, r1 = 97.5, r2 = 98.5, r3 = 158.5, r4 = 159.5, &end # 46 VAL PHI: (45 LYS C)-(46 VAL N)-(46 VAL CA)-(46 VAL C) -153.5 -93.5 &rst iat = 731, 733, 735, 747, r1 = -154.5, r2 = -153.5, r3 = -93.5, r4 = -92.5, &end # 46 VAL PSI: (46 VAL N)-(46 VAL CA)-(46 VAL C)-(47 TYR N) 119.4 179.4 &rst iat = 733, 735, 747, 749, r1 = 118.4, r2 = 119.4, r3 = 179.4, r4 = 180.4, &end # 47 TYR PHI: (46 VAL C)-(47 TYR N)-(47 TYR CA)-(47 TYR C) -161.2 -101.2 &rst iat = 747, 749, 751, 768, r1 = -162.2, r2 = -161.2, r3 = -101.2, r4 = -100.2, &end # 47 TYR PSI: (47 TYR N)-(47 TYR CA)-(47 TYR C)-(48 CYS N) 114.0 174.0 &rst iat = 749, 751, 768, 770, r1 = 113.0, r2 = 114.0, r3 = 174.0, r4 = 175.0, &end # 52 ARG PHI: (51 GLY C)-(52 ARG N)-(52 ARG CA)-(52 ARG C) -96.8 -36.8 &rst iat = 810, 812, 814, 834, r1 = -97.8, r2 = -96.8, r3 = -36.8, r4 = -35.8, &end # 52 ARG PSI: (52 ARG N)-(52 ARG CA)-(52 ARG C)-(53 GLN N) -66.4 -6.4 &rst iat = 812, 814, 834, 836, r1 = -67.4, r2 = -66.4, r3 = -6.4, r4 = -5.4, &end # 53 GLN PHI: (52 ARG C)-(53 GLN N)-(53 GLN CA)-(53 GLN C) -94.7 -34.7 &rst iat = 834, 836, 838, 851, r1 = -95.7, r2 = -94.7, r3 = -34.7, r4 = -33.7, &end # 53 GLN PSI: (53 GLN N)-(53 GLN CA)-(53 GLN C)-(54 SER N) -68.0 -8.0 &rst iat = 836, 838, 851, 853, r1 = -69.0, r2 = -68.0, r3 = -8.0, r4 = -7.0, &end # 54 SER PHI: (53 GLN C)-(54 SER N)-(54 SER CA)-(54 SER C) -91.9 -31.9 &rst iat = 851, 853, 855, 862, r1 = -92.9, r2 = -91.9, r3 = -31.9, r4 = -30.9, &end # 54 SER PSI: (54 SER N)-(54 SER CA)-(54 SER C)-(55 GLY N) -74.2 -14.2 &rst iat = 853, 855, 862, 864, r1 = -75.2, r2 = -74.2, r3 = -14.2, r4 = -13.2, &end # 55 GLY PHI: (54 SER C)-(55 GLY N)-(55 GLY CA)-(55 GLY C) -96.5 -36.5 &rst iat = 862, 864, 866, 869, r1 = -97.5, r2 = -96.5, r3 = -36.5, r4 = -35.5, &end # 55 GLY PSI: (55 GLY N)-(55 GLY CA)-(55 GLY C)-(56 GLN N) -73.6 -13.6 &rst iat = 864, 866, 869, 871, r1 = -74.6, r2 = -73.6, r3 = -13.6, r4 = -12.6, &end # 56 GLN PHI: (55 GLY C)-(56 GLN N)-(56 GLN CA)-(56 GLN C) -94.5 -34.5 &rst iat = 869, 871, 873, 886, r1 = -95.5, r2 = -94.5, r3 = -34.5, r4 = -33.5, &end # 56 GLN PSI: (56 GLN N)-(56 GLN CA)-(56 GLN C)-(57 ALA N) -71.1 -11.1 &rst iat = 871, 873, 886, 888, r1 = -72.1, r2 = -71.1, r3 = -11.1, r4 = -10.1, &end # 57 ALA PHI: (56 GLN C)-(57 ALA N)-(57 ALA CA)-(57 ALA C) -96.0 -36.0 &rst iat = 886, 888, 890, 896, r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0, &end # 57 ALA PSI: (57 ALA N)-(57 ALA CA)-(57 ALA C)-(58 LYS N) -66.3 -6.4 &rst iat = 888, 890, 896, 898, r1 = -67.3, r2 = -66.3, r3 = -6.4, r4 = -5.4, &end # 58 LYS PHI: (57 ALA C)-(58 LYS N)-(58 LYS CA)-(58 LYS C) -93.3 -33.3 &rst iat = 896, 898, 900, 918, r1 = -94.3, r2 = -93.3, r3 = -33.3, r4 = -32.3, &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) -94.2 -34.2 &rst iat = 918, 920, 922, 933, r1 = -95.2, r2 = -94.2, r3 = -34.2, r4 = -33.2, &end # 59 GLU PSI: (59 GLU N)-(59 GLU CA)-(59 GLU C)-(60 ILE N) -71.0 -11.0 &rst iat = 920, 922, 933, 935, r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0, &end # 60 ILE PHI: (59 GLU C)-(60 ILE N)-(60 ILE CA)-(60 ILE C) -94.3 -34.3 &rst iat = 933, 935, 937, 952, r1 = -95.3, r2 = -94.3, r3 = -34.3, r4 = -33.3, &end # 60 ILE PSI: (60 ILE N)-(60 ILE CA)-(60 ILE C)-(61 LEU N) -71.0 -11.0 &rst iat = 935, 937, 952, 954, r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0, &end # 61 LEU PHI: (60 ILE C)-(61 LEU N)-(61 LEU CA)-(61 LEU C) -95.4 -35.4 &rst iat = 952, 954, 956, 971, r1 = -96.4, r2 = -95.4, r3 = -35.4, r4 = -34.4, &end # 61 LEU PSI: (61 LEU N)-(61 LEU CA)-(61 LEU C)-(62 SER N) -70.6 -10.6 &rst iat = 954, 956, 971, 973, r1 = -71.6, r2 = -70.6, r3 = -10.6, r4 = -9.6, &end # 62 SER PHI: (61 LEU C)-(62 SER N)-(62 SER CA)-(62 SER C) -95.1 -35.1 &rst iat = 971, 973, 975, 982, r1 = -96.1, r2 = -95.1, r3 = -35.1, r4 = -34.1, &end # 62 SER PSI: (62 SER N)-(62 SER CA)-(62 SER C)-(63 GLU N) -66.8 -6.8 &rst iat = 973, 975, 982, 984, r1 = -67.8, r2 = -66.8, r3 = -6.8, r4 = -5.8, &end # 63 GLU PHI: (62 SER C)-(63 GLU N)-(63 GLU CA)-(63 GLU C) -95.8 -35.8 &rst iat = 982, 984, 986, 997, r1 = -96.8, r2 = -95.8, r3 = -35.8, r4 = -34.8, &end # 63 GLU PSI: (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 MET N) -60.2 -0.2 &rst iat = 984, 986, 997, 999, r1 = -61.2, r2 = -60.2, r3 = -0.2, r4 = 0.8, &end # 69 VAL PHI: (68 HIS C)-(69 VAL N)-(69 VAL CA)-(69 VAL C) -137.9 -78.0 &rst iat = 1073, 1075, 1077, 1089, r1 = -138.9, r2 = -137.9, r3 = -78.0, r4 = -77.0, &end # 69 VAL PSI: (69 VAL N)-(69 VAL CA)-(69 VAL C)-(70 GLU N) 115.5 175.5 &rst iat = 1075, 1077, 1089, 1091, r1 = 114.5, r2 = 115.5, r3 = 175.5, r4 = 176.5, &end # 71 ASN PHI: (70 GLU C)-(71 ASN N)-(71 ASN CA)-(71 ASN C) -118.0 -58.0 &rst iat = 1104, 1106, 1108, 1118, r1 = -119.0, r2 = -118.0, r3 = -58.0, r4 = -57.0, &end # 71 ASN PSI: (71 ASN N)-(71 ASN CA)-(71 ASN C)-(72 ALA N) 88.5 148.5 &rst iat = 1106, 1108, 1118, 1120, r1 = 87.5, r2 = 88.5, r3 = 148.5, r4 = 149.5, &end # 83 VAL PHI: (82 LYS C)-(83 VAL N)-(83 VAL CA)-(83 VAL C) -146.6 -86.6 &rst iat = 1277, 1279, 1281, 1293, r1 = -147.6, r2 = -146.6, r3 = -86.6, r4 = -85.6, &end # 83 VAL PSI: (83 VAL N)-(83 VAL CA)-(83 VAL C)-(84 LYS N) 105.6 165.6 &rst iat = 1279, 1281, 1293, 1295, r1 = 104.6, r2 = 105.6, r3 = 165.6, r4 = 166.6, &end # 84 LYS PHI: (83 VAL C)-(84 LYS N)-(84 LYS CA)-(84 LYS C) -137.7 -77.7 &rst iat = 1293, 1295, 1297, 1315, r1 = -138.7, r2 = -137.7, r3 = -77.7, r4 = -76.7, &end # 84 LYS PSI: (84 LYS N)-(84 LYS CA)-(84 LYS C)-(85 GLY N) 81.3 141.3 &rst iat = 1295, 1297, 1315, 1317, r1 = 80.3, r2 = 81.3, r3 = 141.3, r4 = 142.3, &end
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