NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype |
638208 | 6j37 | cing | 1-original | 2 | AMBER | stereochemistry | chirality |
# Restraints file 2: rst_chir.txt # chirality for residue 1 atoms: C2' O4' N1 H1' &rst iat=25,8,11,10, r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10., &end bad constraint for residue 1 atoms: C3' C1' H2'1 H2'2 # # chirality for residue 1 atoms: O3' C2' C4' H3' &rst iat=28,25,6,24, &end # # chirality for residue 1 atoms: C3' C5' O4' H4' &rst iat=23,3,8,7, &end bad constraint for residue 1 atoms: C4' O5' H5'1 H5'2 # # chirality for residue 2 atoms: C2' O4' N1 H1' &rst iat=57,38,41,40, &end bad constraint for residue 2 atoms: C3' C1' H2'1 H2'2 # # chirality for residue 2 atoms: O3' C2' C4' H3' &rst iat=60,57,36,56, &end # # chirality for residue 2 atoms: C3' C5' O4' H4' &rst iat=55,33,38,37, &end bad constraint for residue 2 atoms: C4' O5' H5'1 H5'2 # # chirality for residue 3 atoms: C2' O4' N1 H1' &rst iat=89,70,73,72, &end bad constraint for residue 3 atoms: C3' C1' H2'1 H2'2 # # chirality for residue 3 atoms: O3' C2' C4' H3' &rst iat=92,89,68,88, &end # # chirality for residue 3 atoms: C3' C5' O4' H4' &rst iat=87,65,70,69, &end bad constraint for residue 3 atoms: C4' O5' H5'1 H5'2 # # chirality for residue 4 atoms: C2' O4' N9 H1' &rst iat=122,102,105,104, &end bad constraint for residue 4 atoms: C3' C1' H2'1 H2'2 # # chirality for residue 4 atoms: O3' C2' C4' H3' &rst iat=125,122,100,121, &end # # chirality for residue 4 atoms: C3' C5' O4' H4' &rst iat=120,97,102,101, &end bad constraint for residue 4 atoms: C4' O5' H5'1 H5'2 # # chirality for residue 5 atoms: C2' O4' N1 H1' &rst iat=152,135,138,137, &end bad constraint for residue 5 atoms: C3' C1' H2'1 H2'2 # # chirality for residue 5 atoms: O3' C2' C4' H3' &rst iat=155,152,133,151, &end # # chirality for residue 5 atoms: C3' C5' O4' H4' &rst iat=150,130,135,134, &end bad constraint for residue 5 atoms: C4' O5' H5'1 H5'2 # # chirality for residue 6 atoms: C2' O4' N1 H1' &rst iat=184,165,168,167, &end bad constraint for residue 6 atoms: C3' C1' H2'1 H2'2 # # chirality for residue 6 atoms: O3' C2' C4' H3' &rst iat=187,184,163,183, &end # # chirality for residue 6 atoms: C3' C5' O4' H4' &rst iat=182,160,165,164, &end bad constraint for residue 6 atoms: C4' O5' H5'1 H5'2 # # chirality for residue 7 atoms: C2' O4' N1 H1' &rst iat=216,197,200,199, &end bad constraint for residue 7 atoms: C3' C1' H2'1 H2'2 # # chirality for residue 7 atoms: O3' C2' C4' H3' &rst iat=219,216,195,215, &end # # chirality for residue 7 atoms: C3' C5' O4' H4' &rst iat=214,192,197,196, &end bad constraint for residue 7 atoms: C4' O5' H5'1 H5'2 # # chirality for residue 8 atoms: C2' O4' N9 H1' &rst iat=249,229,232,231, &end bad constraint for residue 8 atoms: C3' C1' H2'1 H2'2 # # chirality for residue 8 atoms: O3' C2' C4' H3' &rst iat=252,249,227,248, &end # # chirality for residue 8 atoms: C3' C5' O4' H4' &rst iat=247,224,229,228, &end bad constraint for residue 8 atoms: C4' O5' H5'1 H5'2
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