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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491628 |
2jtq   |
cing | 1-original | 1 | AMBER | dihedral angle |
# 1324 atoms read from pdb file PspE_amber.pdb. # 3 HIS PHI: (2 GLU C)-(3 HIS N)-(3 HIS CA)-(3 HIS C) -156.2 -96.2 &rst iat = 26, 28, 30, 43, r1 = -157.2, r2 = -156.2, r3 = -96.2, r4 = -95.2, rk2 = 10.0, rk3 = 10.0, &end # 3 HIS PSI: (3 HIS N)-(3 HIS CA)-(3 HIS C)-(4 TRP N) 106.2 166.2 &rst iat = 28, 30, 43, 45, r1 = 105.2, r2 = 106.2, r3 = 166.2, r4 = 167.2, &end # 4 TRP PHI: (3 HIS C)-(4 TRP N)-(4 TRP CA)-(4 TRP C) -133.0 -73.0 &rst iat = 43, 45, 47, 67, r1 = -134.0, r2 = -133.0, r3 = -73.0, r4 = -72.0, &end # 4 TRP PSI: (4 TRP N)-(4 TRP CA)-(4 TRP C)-(5 ILE N) 98.9 158.9 &rst iat = 45, 47, 67, 69, r1 = 97.9, r2 = 98.9, r3 = 158.9, r4 = 159.9, &end # 11 GLU PHI: (10 PRO C)-(11 GLU N)-(11 GLU CA)-(11 GLU C) -93.6 -33.6 &rst iat = 168, 170, 172, 183, r1 = -94.6, r2 = -93.6, r3 = -33.6, r4 = -32.6, &end # 11 GLU PSI: (11 GLU N)-(11 GLU CA)-(11 GLU C)-(12 GLN N) -71.9 -11.9 &rst iat = 170, 172, 183, 185, r1 = -72.9, r2 = -71.9, r3 = -11.9, r4 = -10.9, &end # 12 GLN PHI: (11 GLU C)-(12 GLN N)-(12 GLN CA)-(12 GLN C) -93.9 -33.9 &rst iat = 183, 185, 187, 200, r1 = -94.9, r2 = -93.9, r3 = -33.9, r4 = -32.9, &end # 12 GLN PSI: (12 GLN N)-(12 GLN CA)-(12 GLN C)-(13 TYR N) -73.9 -13.9 &rst iat = 185, 187, 200, 202, r1 = -74.9, r2 = -73.9, r3 = -13.9, r4 = -12.9, &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 # 29 VAL PHI: (28 GLU C)-(29 VAL N)-(29 VAL CA)-(29 VAL C) -91.6 -31.6 &rst iat = 459, 461, 463, 475, r1 = -92.6, r2 = -91.6, r3 = -31.6, r4 = -30.6, &end # 29 VAL PSI: (29 VAL N)-(29 VAL CA)-(29 VAL C)-(30 LYS N) -70.5 -10.5 &rst iat = 461, 463, 475, 477, r1 = -71.5, r2 = -70.5, r3 = -10.5, r4 = -9.5, &end # 30 LYS PHI: (29 VAL C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -88.8 -28.8 &rst iat = 475, 477, 479, 497, r1 = -89.8, r2 = -88.8, r3 = -28.8, r4 = -27.8, &end # 30 LYS PSI: (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 GLU N) -68.9 -8.9 &rst iat = 477, 479, 497, 499, r1 = -69.9, r2 = -68.9, r3 = -8.9, r4 = -7.9, &end # 31 GLU PHI: (30 LYS C)-(31 GLU N)-(31 GLU CA)-(31 GLU C) -104.2 -44.2 &rst iat = 497, 499, 501, 512, r1 = -105.2, r2 = -104.2, r3 = -44.2, r4 = -43.2, &end # 31 GLU PSI: (31 GLU N)-(31 GLU CA)-(31 GLU C)-(32 ARG N) -55.4 4.6 &rst iat = 499, 501, 512, 514, r1 = -56.4, r2 = -55.4, r3 = 4.6, r4 = 5.6, &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 # 44 VAL PHI: (43 THR C)-(44 VAL N)-(44 VAL CA)-(44 VAL C) -149.7 -89.7 &rst iat = 693, 695, 697, 709, r1 = -150.7, r2 = -149.7, r3 = -89.7, r4 = -88.7, &end # 44 VAL PSI: (44 VAL N)-(44 VAL CA)-(44 VAL C)-(45 LYS N) 99.6 159.6 &rst iat = 695, 697, 709, 711, r1 = 98.6, r2 = 99.6, r3 = 159.6, r4 = 160.6, &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 # 53 GLN PHI: (52 ARG C)-(53 GLN N)-(53 GLN CA)-(53 GLN C) -93.6 -33.6 &rst iat = 834, 836, 838, 851, r1 = -94.6, r2 = -93.6, r3 = -33.6, r4 = -32.6, &end # 53 GLN PSI: (53 GLN N)-(53 GLN CA)-(53 GLN C)-(54 SER N) -70.5 -10.5 &rst iat = 836, 838, 851, 853, r1 = -71.5, r2 = -70.5, r3 = -10.5, r4 = -9.5, &end # 54 SER PHI: (53 GLN C)-(54 SER N)-(54 SER CA)-(54 SER C) -91.0 -31.0 &rst iat = 851, 853, 855, 862, r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0, &end # 54 SER PSI: (54 SER N)-(54 SER CA)-(54 SER C)-(55 GLY N) -79.0 -19.0 &rst iat = 853, 855, 862, 864, r1 = -80.0, r2 = -79.0, r3 = -19.0, r4 = -18.0, &end # 55 GLY PHI: (54 SER C)-(55 GLY N)-(55 GLY CA)-(55 GLY C) -90.8 -30.8 &rst iat = 862, 864, 866, 869, r1 = -91.8, r2 = -90.8, r3 = -30.8, r4 = -29.8, &end # 55 GLY PSI: (55 GLY N)-(55 GLY CA)-(55 GLY C)-(56 GLN N) -62.8 -2.8 &rst iat = 864, 866, 869, 871, r1 = -63.8, r2 = -62.8, r3 = -2.8, r4 = -1.8, &end # 56 GLN PHI: (55 GLY C)-(56 GLN N)-(56 GLN CA)-(56 GLN C) -100.1 -40.1 &rst iat = 869, 871, 873, 886, r1 = -101.1, r2 = -100.1, r3 = -40.1, r4 = -39.1, &end # 56 GLN PSI: (56 GLN N)-(56 GLN CA)-(56 GLN C)-(57 ALA N) -64.6 -4.6 &rst iat = 871, 873, 886, 888, r1 = -65.6, r2 = -64.6, r3 = -4.6, r4 = -3.6, &end # 57 ALA PHI: (56 GLN C)-(57 ALA N)-(57 ALA CA)-(57 ALA C) -98.9 -38.9 &rst iat = 886, 888, 890, 896, r1 = -99.9, r2 = -98.9, r3 = -38.9, r4 = -37.9, &end # 57 ALA PSI: (57 ALA N)-(57 ALA CA)-(57 ALA C)-(58 LYS N) -66.8 -6.8 &rst iat = 888, 890, 896, 898, r1 = -67.8, r2 = -66.8, r3 = -6.8, r4 = -5.8, &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) -95.1 -35.1 &rst iat = 918, 920, 922, 933, r1 = -96.1, r2 = -95.1, r3 = -35.1, r4 = -34.1, &end # 59 GLU PSI: (59 GLU N)-(59 GLU CA)-(59 GLU C)-(60 ILE N) -70.7 -10.7 &rst iat = 920, 922, 933, 935, r1 = -71.7, r2 = -70.7, r3 = -10.7, r4 = -9.7, &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) -99.2 -39.2 &rst iat = 982, 984, 986, 997, r1 = -100.2, r2 = -99.2, r3 = -39.2, r4 = -38.2, &end # 63 GLU PSI: (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 MET N) -56.2 3.8 &rst iat = 984, 986, 997, 999, r1 = -57.2, r2 = -56.2, r3 = 3.8, r4 = 4.8, &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) -122.0 -62.0 &rst iat = 1104, 1106, 1108, 1118, r1 = -123.0, r2 = -122.0, r3 = -62.0, r4 = -61.0, &end # 71 ASN PSI: (71 ASN N)-(71 ASN CA)-(71 ASN C)-(72 ALA N) 94.0 154.0 &rst iat = 1106, 1108, 1118, 1120, r1 = 93.0, r2 = 94.0, r3 = 154.0, r4 = 155.0, &end # 82 LYS PHI: (81 PRO C)-(82 LYS N)-(82 LYS CA)-(82 LYS C) -135.3 -75.3 &rst iat = 1255, 1257, 1259, 1277, r1 = -136.3, r2 = -135.3, r3 = -75.3, r4 = -74.3, &end # 82 LYS PSI: (82 LYS N)-(82 LYS CA)-(82 LYS C)-(83 VAL N) 112.3 172.3 &rst iat = 1257, 1259, 1277, 1279, r1 = 111.3, r2 = 112.3, r3 = 172.3, r4 = 173.3, &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
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