NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype |
|
|
635933 |
6qbj   |
27730 | cing | 1-original | 3 | AMBER | stereochemistry | chirality |
# # chirality for residue 1 atoms: CA CG1 CG2 HB &rst iat=5,9,13,8, r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10., &end # # chirality for residue 1 atoms: N C HA CB &rst iat=1,17,6,7, &end # # chirality for residue 2 atoms: CA CG1 CG2 HB &rst iat=21,25,29,24, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=19,33,22,23, &end # # chirality for residue 3 atoms: CA CG HB2 HB3 &rst iat=37,42,40,41, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=35,53,38,39, &end # # chirality for residue 4 atoms: CA CG HB2 HB3 &rst iat=57,62,60,61, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=55,74,58,59, &end # # chirality for residue 5 atoms: CA CG1 CG2 HB &rst iat=78,82,86,81, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=76,90,79,80, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=92,100,95,96, &end # # chirality for residue 7 atoms: CA CG HB2 HB3 &rst iat=104,109,107,108, &end # # chirality for residue 7 atoms: CB CD1 CD2 HG &rst iat=106,111,115,110, &end # # chirality for residue 7 atoms: N C HA CB &rst iat=102,119,105,106, &end # # chirality for residue 8 atoms: CA CG2 OG1 HB &rst iat=123,127,131,126, &end # # chirality for residue 8 atoms: N C HA CB &rst iat=121,133,124,125, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=135,143,138,139, &end # # chirality for residue 10 atoms: CA CG1 CG2 HB &rst iat=147,151,155,150, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=145,159,148,149, &end # # chirality for residue 12 atoms: CA CG1 CG2 HB &rst iat=182,186,190,185, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=180,194,183,184, &end # # chirality for residue 13 atoms: N C HA CB &rst iat=196,204,199,200, &end # # chirality for residue 14 atoms: CA CG1 CG2 HB &rst iat=208,212,216,211, &end # # chirality for residue 14 atoms: N C HA CB &rst iat=206,220,209,210, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=222,230,225,226, &end # # chirality for residue 16 atoms: CA CG HB2 HB3 &rst iat=234,239,237,238, &end # # chirality for residue 16 atoms: CB CD1 CD2 HG &rst iat=236,241,245,240, &end # # chirality for residue 16 atoms: N C HA CB &rst iat=232,249,235,236, &end # # chirality for residue 17 atoms: CA CG HB2 HB3 &rst iat=253,258,256,257, &end # # chirality for residue 17 atoms: N C HA CB &rst iat=251,270,254,255, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=272,280,275,276, &end # # chirality for residue 19 atoms: CA CG HB2 HB3 &rst iat=284,289,287,288, &end # # chirality for residue 19 atoms: N C HA CB &rst iat=282,301,285,286, &end # # chirality for residue 20 atoms: N C HA2 HA3 &rst iat=303,308,306,307, &end # # chirality for residue 21 atoms: CA CG HB2 HB3 &rst iat=312,317,315,316, &end # # chirality for residue 21 atoms: CB CD1 CD2 HG &rst iat=314,319,323,318, &end # # chirality for residue 21 atoms: N C HA CB &rst iat=310,327,313,314, &end # # chirality for residue 23 atoms: CA CG HB2 HB3 &rst iat=344,349,347,348, &end # # chirality for residue 23 atoms: N C HA CB &rst iat=342,360,345,346, &end # # chirality for residue 24 atoms: CA CG HB2 HB3 &rst iat=364,369,367,368, &end # # chirality for residue 24 atoms: CB CD HG2 HG3 &rst iat=366,372,370,371, &end # # chirality for residue 24 atoms: CG NE HD2 HD3 &rst iat=369,375,373,374, &end # # chirality for residue 24 atoms: N C HA CB &rst iat=362,384,365,366, &end # # chirality for residue 25 atoms: CA CG HB2 HB3 &rst iat=388,393,391,392, &end # # chirality for residue 25 atoms: CB CD1 CD2 HG &rst iat=390,395,399,394, &end # # chirality for residue 25 atoms: N C HA CB &rst iat=386,403,389,390, &end # # chirality for residue 27 atoms: N C HA2 HA3 &rst iat=424,429,427,428, &end # # chirality for residue 28 atoms: N C HA CB &rst iat=431,439,434,435, &end # # chirality for residue 29 atoms: CA OG HB2 HB3 &rst iat=443,448,446,447, &end # # chirality for residue 29 atoms: N C HA CB &rst iat=441,450,444,445, &end # # chirality for residue 30 atoms: N C HA2 HA3 &rst iat=452,457,455,456, &end # # chirality for residue 31 atoms: CA CG HB2 HB3 &rst iat=469,463,467,468, &end # # chirality for residue 31 atoms: CB CD HG2 HG3 &rst iat=466,460,464,465, &end # # chirality for residue 31 atoms: CG N HD2 HD3 &rst iat=463,459,461,462, &end # # chirality for residue 31 atoms: N C HA CB &rst iat=459,471,470,466, &end # # chirality for residue 32 atoms: CA CG HB2 HB3 &rst iat=475,480,478,479, &end # # chirality for residue 32 atoms: N C HA CB &rst iat=473,485,476,477, &end # # chirality for residue 33 atoms: CA CG HB2 HB3 &rst iat=489,494,492,493, &end # # chirality for residue 33 atoms: CB CD HG2 HG3 &rst iat=491,497,495,496, &end # # chirality for residue 33 atoms: CD NZ HE2 HE3 &rst iat=497,503,501,502, &end # # chirality for residue 33 atoms: CG CE HD2 HD3 &rst iat=494,500,498,499, &end # # chirality for residue 33 atoms: N C HA CB &rst iat=487,507,490,491, &end # # chirality for residue 34 atoms: CA CG HB2 HB3 &rst iat=511,516,514,515, &end # # chirality for residue 34 atoms: CB CD HG2 HG3 &rst iat=513,519,517,518, &end # # chirality for residue 34 atoms: CD NZ HE2 HE3 &rst iat=519,525,523,524, &end # # chirality for residue 34 atoms: CG CE HD2 HD3 &rst iat=516,522,520,521, &end # # chirality for residue 34 atoms: N C HA CB &rst iat=509,529,512,513, &end # # chirality for residue 35 atoms: CA CG HB2 HB3 &rst iat=533,538,536,537, &end # # chirality for residue 35 atoms: CB CD HG2 HG3 &rst iat=535,541,539,540, &end # # chirality for residue 35 atoms: N C HA CB &rst iat=531,544,534,535, &end # # chirality for residue 36 atoms: CA OG HB2 HB3 &rst iat=548,553,551,552, &end # # chirality for residue 36 atoms: N C HA CB &rst iat=546,555,549,550, &end # # chirality for residue 37 atoms: CA CG HB2 HB3 &rst iat=559,564,562,563, &end # # chirality for residue 37 atoms: CB CD HG2 HG3 &rst iat=561,567,565,566, &end # # chirality for residue 37 atoms: CG NE HD2 HD3 &rst iat=564,570,568,569, &end # # chirality for residue 37 atoms: N C HA CB &rst iat=557,579,560,561, &end # # chirality for residue 38 atoms: N C HA2 HA3 &rst iat=581,586,584,585, &end # # chirality for residue 39 atoms: CA CG HB2 HB3 &rst iat=590,595,593,594, &end # # chirality for residue 39 atoms: CB CD HG2 HG3 &rst iat=592,598,596,597, &end # # chirality for residue 39 atoms: CG NE HD2 HD3 &rst iat=595,601,599,600, &end # # chirality for residue 39 atoms: N C HA CB &rst iat=588,610,591,592, &end # # chirality for residue 40 atoms: N C HA2 HA3 &rst iat=612,617,615,616, &end # # trans-omega constraint for residue 2 &rst iat=21,19,17,5, r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50., &end # # trans-omega constraint for residue 3 &rst iat=37,35,33,21, &end # # trans-omega constraint for residue 4 &rst iat=57,55,53,37, &end # # trans-omega constraint for residue 5 &rst iat=78,76,74,57, &end # # trans-omega constraint for residue 6 &rst iat=94,92,90,78, &end # # trans-omega constraint for residue 7 &rst iat=104,102,100,94, &end # # trans-omega constraint for residue 8 &rst iat=123,121,119,104, &end # # trans-omega constraint for residue 9 &rst iat=137,135,133,123, &end # # trans-omega constraint for residue 10 &rst iat=147,145,143,137, &end # # trans-omega constraint for residue 11 &rst iat=163,161,159,147, &end # # trans-omega constraint for residue 12 &rst iat=182,180,178,163, &end # # trans-omega constraint for residue 13 &rst iat=198,196,194,182, &end # # trans-omega constraint for residue 14 &rst iat=208,206,204,198, &end # # trans-omega constraint for residue 15 &rst iat=224,222,220,208, &end # # trans-omega constraint for residue 16 &rst iat=234,232,230,224, &end # # trans-omega constraint for residue 17 &rst iat=253,251,249,234, &end # # trans-omega constraint for residue 18 &rst iat=274,272,270,253, &end # # trans-omega constraint for residue 19 &rst iat=284,282,280,274, &end # # trans-omega constraint for residue 20 &rst iat=305,303,301,284, &end # # trans-omega constraint for residue 21 &rst iat=312,310,308,305, &end # # trans-omega constraint for residue 22 &rst iat=331,329,327,312, &end # # trans-omega constraint for residue 23 &rst iat=344,342,340,331, &end # # trans-omega constraint for residue 24 &rst iat=364,362,360,344, &end # # trans-omega constraint for residue 25 &rst iat=388,386,384,364, &end # # trans-omega constraint for residue 26 &rst iat=407,405,403,388, &end # # trans-omega constraint for residue 27 &rst iat=426,424,422,407, &end # # trans-omega constraint for residue 28 &rst iat=433,431,429,426, &end # # trans-omega constraint for residue 29 &rst iat=443,441,439,433, &end # # trans-omega constraint for residue 30 &rst iat=454,452,450,443, &end # # trans-omega constraint for residue 31 &rst iat=469,459,457,454, &end # # trans-omega constraint for residue 32 &rst iat=475,473,471,469, &end # # trans-omega constraint for residue 33 &rst iat=489,487,485,475, &end # # trans-omega constraint for residue 34 &rst iat=511,509,507,489, &end # # trans-omega constraint for residue 35 &rst iat=533,531,529,511, &end # # trans-omega constraint for residue 36 &rst iat=548,546,544,533, &end # # trans-omega constraint for residue 37 &rst iat=559,557,555,548, &end # # trans-omega constraint for residue 38 &rst iat=583,581,579,559, &end # # trans-omega constraint for residue 39 &rst iat=590,588,586,583, &end # # trans-omega constraint for residue 40 &rst iat=614,612,610,590, &end
Contact the webmaster for help, if required. Friday, May 3, 2024 7:03:17 PM GMT (wattos1)