NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype |
12116 | 1ski | 6170 | cing | 1-original | 3 | AMBER | stereochemistry | chirality |
# # # # ############### chirality and trans omega restraints ################ # # # # chirality for residue 1 atoms: CA CG HB2 HB3 &rst iat=3,8,6,7, r1=10., r2=60., r3=80., r4=130., rk2 = 100., rk3=100., &end # # chirality for residue 1 atoms: CB CD HG2 HG3 &rst iat=5,11,9,10, &end # # chirality for residue 1 atoms: CG NE HD2 HD3 &rst iat=8,14,12,13, &end # # chirality for residue 1 atoms: N C HA CB &rst iat=1,23,4,5, &end # # chirality for residue 2 atoms: CA CG HB2 HB3 &rst iat=27,32,30,31, &end # # chirality for residue 2 atoms: CB CD HG2 HG3 &rst iat=29,35,33,34, &end # # chirality for residue 2 atoms: CG NE HD2 HD3 &rst iat=32,38,36,37, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=25,47,28,29, &end # # chirality for residue 3 atoms: CA CG HB2 HB3 &rst iat=51,56,54,55, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=49,68,52,53, &end # # chirality for residue 4 atoms: CA CG HB2 HB3 &rst iat=72,77,75,76, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=70,89,73,74, &end # # chirality for residue 5 atoms: CA CG HB2 HB3 &rst iat=93,98,96,97, &end # # chirality for residue 5 atoms: CB CD HG2 HG3 &rst iat=95,101,99,100, &end # # chirality for residue 5 atoms: CG NE HD2 HD3 &rst iat=98,104,102,103, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=91,113,94,95, &end # # chirality for residue 6 atoms: CA CG HB2 HB3 &rst iat=117,122,120,121, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=115,133,118,119, &end # # trans-omega constraint for residue 1 &rst iat=3,1,133,117, r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50., &end # # trans-omega constraint for residue 2 &rst iat=27,25,23,3, &end # # trans-omega constraint for residue 3 &rst iat=51,49,47,27, &end # # trans-omega constraint for residue 4 &rst iat=72,70,68,51, &end # # trans-omega constraint for residue 5 &rst iat=93,91,89,72, &end # # trans-omega constraint for residue 6 &rst iat=117,115,113,93, &end
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