NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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591744 |
2mxf   |
25407 | cing | 1-original | 5 | AMBER | dihedral angle |
# 4 VAL PHI: (3 LYS C)-(4 VAL N)-(4 VAL CA)-(4 VAL C) -126.8 -52.4 &rst iat = 57, 59, 61, 73, r1 = -127.8, r2 = -126.8, r3 = -52.4, r4 = -51.4, rk2 = 50.0, rk3 = 50.0, &end # 4 VAL PSI: (4 VAL N)-(4 VAL CA)-(4 VAL C)-(5 LYS N) 111.3 151.3 &rst iat = 59, 61, 73, 75, r1 = 110.3, r2 = 111.3, r3 = 151.3, r4 = 152.3, &end # 5 LYS PHI: (4 VAL C)-(5 LYS N)-(5 LYS CA)-(5 LYS C) -157.1 -73.8 &rst iat = 73, 75, 77, 95, r1 = -158.1, r2 = -157.1, r3 = -73.8, r4 = -72.8, &end # 5 LYS PSI: (5 LYS N)-(5 LYS CA)-(5 LYS C)-(6 GLN N) 113.0 153.0 &rst iat = 75, 77, 95, 97, r1 = 112.0, r2 = 113.0, r3 = 153.0, r4 = 154.0, &end # 6 GLN PHI: (5 LYS C)-(6 GLN N)-(6 GLN CA)-(6 GLN C) -147.8 -85.0 &rst iat = 95, 97, 99, 112, r1 = -148.8, r2 = -147.8, r3 = -85.0, r4 = -84.0, &end # 6 GLN PSI: (6 GLN N)-(6 GLN CA)-(6 GLN C)-(7 TYR N) 111.4 156.7 &rst iat = 97, 99, 112, 114, r1 = 110.4, r2 = 111.4, r3 = 156.7, r4 = 157.7, &end # 7 TYR PHI: (6 GLN C)-(7 TYR N)-(7 TYR CA)-(7 TYR C) -174.4 -78.0 &rst iat = 112, 114, 116, 133, r1 = -175.4, r2 = -174.4, r3 = -78.0, r4 = -77.0, &end # 7 TYR PSI: (7 TYR N)-(7 TYR CA)-(7 TYR C)-(8 LYS N) 107.3 170.8 &rst iat = 114, 116, 133, 135, r1 = 106.3, r2 = 107.3, r3 = 170.8, r4 = 171.8, &end # 8 LYS PHI: (7 TYR C)-(8 LYS N)-(8 LYS CA)-(8 LYS C) -160.1 -79.5 &rst iat = 133, 135, 137, 155, r1 = -161.1, r2 = -160.1, r3 = -79.5, r4 = -78.5, &end # 8 LYS PSI: (8 LYS N)-(8 LYS CA)-(8 LYS C)-(9 ASN N) 103.8 146.1 &rst iat = 135, 137, 155, 157, r1 = 102.8, r2 = 103.8, r3 = 146.1, r4 = 147.1, &end # 9 ASN PHI: (8 LYS C)-(9 ASN N)-(9 ASN CA)-(9 ASN C) -150.6 -41.8 &rst iat = 155, 157, 159, 169, r1 = -151.6, r2 = -150.6, r3 = -41.8, r4 = -40.8, &end # 9 ASN PSI: (9 ASN N)-(9 ASN CA)-(9 ASN C)-(10 PRO N) 64.2 162.5 &rst iat = 157, 159, 169, 171, r1 = 63.2, r2 = 64.2, r3 = 162.5, r4 = 163.5, &end # 11 HIS PHI: (10 PRO C)-(11 HIS N)-(11 HIS CA)-(11 HIS C) -88.7 -48.7 &rst iat = 183, 185, 187, 201, r1 = -89.7, r2 = -88.7, r3 = -48.7, r4 = -47.7, &end # 11 HIS PSI: (11 HIS N)-(11 HIS CA)-(11 HIS C)-(12 THR N) -69.7 4.6 &rst iat = 185, 187, 201, 203, r1 = -70.7, r2 = -69.7, r3 = 4.6, r4 = 5.6, &end # 12 THR PHI: (11 HIS C)-(12 THR N)-(12 THR CA)-(12 THR C) -147.7 -76.5 &rst iat = 201, 203, 205, 215, r1 = -148.7, r2 = -147.7, r3 = -76.5, r4 = -75.5, &end # 12 THR PSI: (12 THR N)-(12 THR CA)-(12 THR C)-(13 GLY N) -33.0 35.4 &rst iat = 203, 205, 215, 217, r1 = -34.0, r2 = -33.0, r3 = 35.4, r4 = 36.4, &end # 14 GLU PHI: (13 GLY C)-(14 GLU N)-(14 GLU CA)-(14 GLU C) -138.0 -38.9 &rst iat = 222, 224, 226, 237, r1 = -139.0, r2 = -138.0, r3 = -38.9, r4 = -37.9, &end # 14 GLU PSI: (14 GLU N)-(14 GLU CA)-(14 GLU C)-(15 VAL N) 112.0 170.2 &rst iat = 224, 226, 237, 239, r1 = 111.0, r2 = 112.0, r3 = 170.2, r4 = 171.2, &end # 15 VAL PHI: (14 GLU C)-(15 VAL N)-(15 VAL CA)-(15 VAL C) -163.5 -89.6 &rst iat = 237, 239, 241, 253, r1 = -164.5, r2 = -163.5, r3 = -89.6, r4 = -88.6, &end # 15 VAL PSI: (15 VAL N)-(15 VAL CA)-(15 VAL C)-(16 ILE N) 103.3 176.3 &rst iat = 239, 241, 253, 255, r1 = 102.3, r2 = 103.3, r3 = 176.3, r4 = 177.3, &end # 16 ILE PHI: (15 VAL C)-(16 ILE N)-(16 ILE CA)-(16 ILE C) -148.1 -108.1 &rst iat = 253, 255, 257, 272, r1 = -149.1, r2 = -148.1, r3 = -108.1, r4 = -107.1, &end # 16 ILE PSI: (16 ILE N)-(16 ILE CA)-(16 ILE C)-(17 GLU N) 116.4 175.2 &rst iat = 255, 257, 272, 274, r1 = 115.4, r2 = 116.4, r3 = 175.2, r4 = 176.2, &end # 17 GLU PHI: (16 ILE C)-(17 GLU N)-(17 GLU CA)-(17 GLU C) -155.3 -88.7 &rst iat = 272, 274, 276, 287, r1 = -156.3, r2 = -155.3, r3 = -88.7, r4 = -87.7, &end # 17 GLU PSI: (17 GLU N)-(17 GLU CA)-(17 GLU C)-(18 THR N) 114.3 154.3 &rst iat = 274, 276, 287, 289, r1 = 113.3, r2 = 114.3, r3 = 154.3, r4 = 155.3, &end # 18 THR PHI: (17 GLU C)-(18 THR N)-(18 THR CA)-(18 THR C) -159.9 -94.2 &rst iat = 287, 289, 291, 301, r1 = -160.9, r2 = -159.9, r3 = -94.2, r4 = -93.2, &end # 18 THR PSI: (18 THR N)-(18 THR CA)-(18 THR C)-(19 LYS N) 103.1 170.4 &rst iat = 289, 291, 301, 303, r1 = 102.1, r2 = 103.1, r3 = 170.4, r4 = 171.4, &end # 20 GLY PHI: (19 LYS C)-(20 GLY N)-(20 GLY CA)-(20 GLY C) 0.0 179.0 &rst iat = 323, 325, 327, 330, r1 = -1.0, r2 = 0.0, r3 = 179.0, r4 = 180.0, &end # 20 GLY PSI: (20 GLY N)-(20 GLY CA)-(20 GLY C)-(21 GLY N) -179.0 0.0 &rst iat = 325, 327, 330, 332, r1 = -180.0, r2 = -179.0, r3 = 0.0, r4 = 1.0, &end # 21 GLY PHI: (20 GLY C)-(21 GLY N)-(21 GLY CA)-(21 GLY C) 0.0 179.0 &rst iat = 330, 332, 334, 337, r1 = -1.0, r2 = 0.0, r3 = 179.0, r4 = 180.0, &end # 21 GLY PSI: (21 GLY N)-(21 GLY CA)-(21 GLY C)-(22 ASN N) 0.0 179.0 &rst iat = 332, 334, 337, 339, r1 = -1.0, r2 = 0.0, r3 = 179.0, r4 = 180.0, &end # 22 ASN PHI: (21 GLY C)-(22 ASN N)-(22 ASN CA)-(22 ASN C) -123.5 -58.6 &rst iat = 337, 339, 341, 351, r1 = -124.5, r2 = -123.5, r3 = -58.6, r4 = -57.6, &end # 22 ASN PSI: (22 ASN N)-(22 ASN CA)-(22 ASN C)-(23 HIS N) 81.0 186.8 &rst iat = 339, 341, 351, 353, r1 = 80.0, r2 = 81.0, r3 = 186.8, r4 = 187.8, &end # 23 HIS PHI: (22 ASN C)-(23 HIS N)-(23 HIS CA)-(23 HIS C) -130.0 -23.6 &rst iat = 351, 353, 355, 369, r1 = -131.0, r2 = -130.0, r3 = -23.6, r4 = -22.6, &end # 23 HIS PSI: (23 HIS N)-(23 HIS CA)-(23 HIS C)-(24 LYS N) 107.5 151.4 &rst iat = 353, 355, 369, 371, r1 = 106.5, r2 = 107.5, r3 = 151.4, r4 = 152.4, &end # 24 LYS PHI: (23 HIS C)-(24 LYS N)-(24 LYS CA)-(24 LYS C) -79.3 -39.3 &rst iat = 369, 371, 373, 391, r1 = -80.3, r2 = -79.3, r3 = -39.3, r4 = -38.3, &end # 24 LYS PSI: (24 LYS N)-(24 LYS CA)-(24 LYS C)-(25 THR N) -64.7 -8.8 &rst iat = 371, 373, 391, 393, r1 = -65.7, r2 = -64.7, r3 = -8.8, r4 = -7.8, &end # 25 THR PHI: (24 LYS C)-(25 THR N)-(25 THR CA)-(25 THR C) -84.4 -44.4 &rst iat = 391, 393, 395, 405, r1 = -85.4, r2 = -84.4, r3 = -44.4, r4 = -43.4, &end # 25 THR PSI: (25 THR N)-(25 THR CA)-(25 THR C)-(26 LEU N) -61.9 -21.9 &rst iat = 393, 395, 405, 407, r1 = -62.9, r2 = -61.9, r3 = -21.9, r4 = -20.9, &end # 26 LEU PHI: (25 THR C)-(26 LEU N)-(26 LEU CA)-(26 LEU C) -83.0 -43.0 &rst iat = 405, 407, 409, 424, r1 = -84.0, r2 = -83.0, r3 = -43.0, r4 = -42.0, &end # 26 LEU PSI: (26 LEU N)-(26 LEU CA)-(26 LEU C)-(27 LYS N) -65.8 -25.8 &rst iat = 407, 409, 424, 426, r1 = -66.8, r2 = -65.8, r3 = -25.8, r4 = -24.8, &end # 27 LYS PHI: (26 LEU C)-(27 LYS N)-(27 LYS CA)-(27 LYS C) -80.9 -40.9 &rst iat = 424, 426, 428, 446, r1 = -81.9, r2 = -80.9, r3 = -40.9, r4 = -39.9, &end # 27 LYS PSI: (27 LYS N)-(27 LYS CA)-(27 LYS C)-(28 GLU N) -58.2 -18.2 &rst iat = 426, 428, 446, 448, r1 = -59.2, r2 = -58.2, r3 = -18.2, r4 = -17.2, &end # 28 GLU PHI: (27 LYS C)-(28 GLU N)-(28 GLU CA)-(28 GLU C) -84.9 -44.9 &rst iat = 446, 448, 450, 461, r1 = -85.9, r2 = -84.9, r3 = -44.9, r4 = -43.9, &end # 28 GLU PSI: (28 GLU N)-(28 GLU CA)-(28 GLU C)-(29 TRP N) -62.9 -22.9 &rst iat = 448, 450, 461, 463, r1 = -63.9, r2 = -62.9, r3 = -22.9, r4 = -21.9, &end # 29 TRP PHI: (28 GLU C)-(29 TRP N)-(29 TRP CA)-(29 TRP C) -84.8 -44.8 &rst iat = 461, 463, 465, 485, r1 = -85.8, r2 = -84.8, r3 = -44.8, r4 = -43.8, &end # 29 TRP PSI: (29 TRP N)-(29 TRP CA)-(29 TRP C)-(30 LYS N) -60.1 -20.1 &rst iat = 463, 465, 485, 487, r1 = -61.1, r2 = -60.1, r3 = -20.1, r4 = -19.1, &end # 30 LYS PHI: (29 TRP C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -83.1 -43.1 &rst iat = 485, 487, 489, 507, r1 = -84.1, r2 = -83.1, r3 = -43.1, r4 = -42.1, &end # 30 LYS PSI: (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 ALA N) -59.2 -19.2 &rst iat = 487, 489, 507, 509, r1 = -60.2, r2 = -59.2, r3 = -19.2, r4 = -18.2, &end # 31 ALA PHI: (30 LYS C)-(31 ALA N)-(31 ALA CA)-(31 ALA C) -87.4 -47.4 &rst iat = 507, 509, 511, 517, r1 = -88.4, r2 = -87.4, r3 = -47.4, r4 = -46.4, &end # 31 ALA PSI: (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 LYS N) -59.7 -19.7 &rst iat = 509, 511, 517, 519, r1 = -60.7, r2 = -59.7, r3 = -19.7, r4 = -18.7, &end # 32 LYS PHI: (31 ALA C)-(32 LYS N)-(32 LYS CA)-(32 LYS C) -88.7 -48.7 &rst iat = 517, 519, 521, 539, r1 = -89.7, r2 = -88.7, r3 = -48.7, r4 = -47.7, &end # 32 LYS PSI: (32 LYS N)-(32 LYS CA)-(32 LYS C)-(33 TRP N) -58.0 -18.0 &rst iat = 519, 521, 539, 541, r1 = -59.0, r2 = -58.0, r3 = -18.0, r4 = -17.0, &end # 35 PRO PHI: (34 GLY C)-(35 PRO N)-(35 PRO CA)-(35 PRO C) -75.3 -35.3 &rst iat = 570, 572, 582, 584, r1 = -76.3, r2 = -75.3, r3 = -35.3, r4 = -34.3, &end # 35 PRO PSI: (35 PRO N)-(35 PRO CA)-(35 PRO C)-(36 GLU N) -53.4 -13.4 &rst iat = 572, 582, 584, 586, r1 = -54.4, r2 = -53.4, r3 = -13.4, r4 = -12.4, &end # 36 GLU PHI: (35 PRO C)-(36 GLU N)-(36 GLU CA)-(36 GLU C) -85.3 -45.3 &rst iat = 584, 586, 588, 599, r1 = -86.3, r2 = -85.3, r3 = -45.3, r4 = -44.3, &end # 36 GLU PSI: (36 GLU N)-(36 GLU CA)-(36 GLU C)-(37 ALA N) -58.3 -18.3 &rst iat = 586, 588, 599, 601, r1 = -59.3, r2 = -58.3, r3 = -18.3, r4 = -17.3, &end # 37 ALA PHI: (36 GLU C)-(37 ALA N)-(37 ALA CA)-(37 ALA C) -84.3 -44.3 &rst iat = 599, 601, 603, 609, r1 = -85.3, r2 = -84.3, r3 = -44.3, r4 = -43.3, &end # 37 ALA PSI: (37 ALA N)-(37 ALA CA)-(37 ALA C)-(38 VAL N) -62.6 -22.6 &rst iat = 601, 603, 609, 611, r1 = -63.6, r2 = -62.6, r3 = -22.6, r4 = -21.6, &end # 38 VAL PHI: (37 ALA C)-(38 VAL N)-(38 VAL CA)-(38 VAL C) -85.7 -45.7 &rst iat = 609, 611, 613, 625, r1 = -86.7, r2 = -85.7, r3 = -45.7, r4 = -44.7, &end # 38 VAL PSI: (38 VAL N)-(38 VAL CA)-(38 VAL C)-(39 GLU N) -64.9 -24.9 &rst iat = 611, 613, 625, 627, r1 = -65.9, r2 = -64.9, r3 = -24.9, r4 = -23.9, &end # 39 GLU PHI: (38 VAL C)-(39 GLU N)-(39 GLU CA)-(39 GLU C) -82.5 -42.5 &rst iat = 625, 627, 629, 640, r1 = -83.5, r2 = -82.5, r3 = -42.5, r4 = -41.5, &end # 39 GLU PSI: (39 GLU N)-(39 GLU CA)-(39 GLU C)-(40 SER N) -61.8 -20.8 &rst iat = 627, 629, 640, 642, r1 = -62.8, r2 = -61.8, r3 = -20.8, r4 = -19.8, &end # 40 SER PHI: (39 GLU C)-(40 SER N)-(40 SER CA)-(40 SER C) -105.7 -54.9 &rst iat = 640, 642, 644, 651, r1 = -106.7, r2 = -105.7, r3 = -54.9, r4 = -53.9, &end # 40 SER PSI: (40 SER N)-(40 SER CA)-(40 SER C)-(41 TRP N) -42.3 10.9 &rst iat = 642, 644, 651, 653, r1 = -43.3, r2 = -42.3, r3 = 10.9, r4 = 11.9, &end # 42 ALA PHI: (41 TRP C)-(42 ALA N)-(42 ALA CA)-(42 ALA C) -137.1 -54.9 &rst iat = 675, 677, 679, 685, r1 = -138.1, r2 = -137.1, r3 = -54.9, r4 = -53.9, &end # 42 ALA PSI: (42 ALA N)-(42 ALA CA)-(42 ALA C)-(43 THR N) 80.7 167.9 &rst iat = 677, 679, 685, 687, r1 = 79.7, r2 = 80.7, r3 = 167.9, r4 = 168.9, &end # 43 THR PHI: (42 ALA C)-(43 THR N)-(43 THR CA)-(43 THR C) -157.2 -74.2 &rst iat = 685, 687, 689, 699, r1 = -158.2, r2 = -157.2, r3 = -74.2, r4 = -73.2, &end # 43 THR PSI: (43 THR N)-(43 THR CA)-(43 THR C)-(44 LEU N) 93.5 168.3 &rst iat = 687, 689, 699, 701, r1 = 92.5, r2 = 93.5, r3 = 168.3, r4 = 169.3, &end # 44 LEU PHI: (43 THR C)-(44 LEU N)-(44 LEU CA)-(44 LEU C) -139.5 -51.9 &rst iat = 699, 701, 703, 718, r1 = -140.5, r2 = -139.5, r3 = -51.9, r4 = -50.9, &end # 44 LEU PSI: (44 LEU N)-(44 LEU CA)-(44 LEU C)-(45 LEU N) 90.5 150.1 &rst iat = 701, 703, 718, 720, r1 = 89.5, r2 = 90.5, r3 = 150.1, r4 = 151.1, &end # 764 atoms read from pdb file prm1.pdb. # 22 ASN PSI: (22 ASN N)-(22 ASN CA)-(22 ASN C)-(23 HIS N) 81.0 186.8 &rst iat = 339, 341, 351, 353, r1 = 80.0, r2 = 81.0, r3 = 186.8, r4 = 187.8, rk2 = 200.0, rk3 = 200.0, &end # 23 HIS PHI: (22 ASN C)-(23 HIS N)-(23 HIS CA)-(23 HIS C) -130.0 -23.6 &rst iat = 351, 353, 355, 369, r1 = -131.0, r2 = -130.0, r3 = -23.6, r4 = -22.6, &end# chirality for residue 1 atoms: N C HA CB &rst iat=1,11,6,7, r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150., &end
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