NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype |
12121 | 1skk | 6169 | 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 = 10., rk3=10., &end # # chirality for residue 1 atoms: CB CD HG2 HG3 &rst iat=5,11,9,10, &end # # chirality for residue 1 atoms: CD NZ HE2 HE3 &rst iat=11,17,15,16, &end # # chirality for residue 1 atoms: CG CE HD2 HD3 &rst iat=8,14,12,13, &end # # chirality for residue 1 atoms: N C HA CB &rst iat=1,21,4,5, &end # # chirality for residue 2 atoms: CA CG HB2 HB3 &rst iat=25,30,28,29, &end # # chirality for residue 2 atoms: CB CD HG2 HG3 &rst iat=27,33,31,32, &end # # chirality for residue 2 atoms: CD NZ HE2 HE3 &rst iat=33,39,37,38, &end # # chirality for residue 2 atoms: CG CE HD2 HD3 &rst iat=30,36,34,35, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=23,43,26,27, &end # # chirality for residue 3 atoms: CA CG HB2 HB3 &rst iat=47,52,50,51, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=45,67,48,49, &end # # chirality for residue 4 atoms: CA CG HB2 HB3 &rst iat=71,76,74,75, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=69,91,72,73, &end # # chirality for residue 5 atoms: CA CG HB2 HB3 &rst iat=95,100,98,99, &end # # chirality for residue 5 atoms: CB CD HG2 HG3 &rst iat=97,103,101,102, &end # # chirality for residue 5 atoms: CD NZ HE2 HE3 &rst iat=103,109,107,108, &end # # chirality for residue 5 atoms: CG CE HD2 HD3 &rst iat=100,106,104,105, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=93,113,96,97, &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=25,23,21,3, &end # # trans-omega constraint for residue 3 &rst iat=47,45,43,25, &end # # trans-omega constraint for residue 4 &rst iat=71,69,67,47, &end # # trans-omega constraint for residue 5 &rst iat=95,93,91,71, &end # # trans-omega constraint for residue 6 &rst iat=117,115,113,95, &end
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