NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype |
655548 | 7d0y | cing | 1-original | 2 | AMBER | stereochemistry | chirality |
# Chirality restraints on deoxyribose carbon atoms # restraints for T3, G4, C5, T7 and G8 were generated by amber. # chirality for residue 3 atoms: C2' O4' N1 H1' &rst iat=92,73,76,75, r1=10., r2=60., r3=80., r4=130., rk2 = 1000., rk3=1000., &end # # chirality for residue 3 atoms: C3' C1' H2'1 H2'2 &rst iat=90,74,93,94, &end # # chirality for residue 3 atoms: O3' C2' C4' H3' &rst iat=95,92,71,91, &end # # chirality for residue 3 atoms: C3' C5' O4' H4' &rst iat=90,68,73,72, &end # # chirality for residue 3 atoms: C4' O5' H5'1 H5'2 &rst iat=71,67,69,70, &end # # chirality for residue 4 atoms: C2' O4' N9 H1' &rst iat=125,105,108,107, &end # # chirality for residue 4 atoms: C3' C1' H2'1 H2'2 &rst iat=123,106,126,127, &end # # chirality for residue 4 atoms: O3' C2' C4' H3' &rst iat=128,125,103,124, &end # # chirality for residue 4 atoms: C3' C5' O4' H4' &rst iat=123,100,105,104, &end # # chirality for residue 4 atoms: C4' O5' H5'1 H5'2 &rst iat=103,99,101,102, &end # # chirality for residue 5 atoms: C2' O4' N1 H1' &rst iat=155,138,141,140, &end # # chirality for residue 5 atoms: C3' C1' H2'1 H2'2 &rst iat=153,139,156,157, &end # # chirality for residue 5 atoms: O3' C2' C4' H3' &rst iat=158,155,136,154, &end # # chirality for residue 5 atoms: C3' C5' O4' H4' &rst iat=153,133,138,137, &end # # chirality for residue 5 atoms: C4' O5' H5'1 H5'2 &rst iat=136,132,134,135, &end # # chirality for residue 7 atoms: C2' O4' N1 H1' &rst iat=220,201,204,203, &end # # chirality for residue 7 atoms: C3' C1' H2'1 H2'2 &rst iat=218,202,221,222, &end # # chirality for residue 7 atoms: O3' C2' C4' H3' &rst iat=223,220,199,219, &end # # chirality for residue 7 atoms: C3' C5' O4' H4' &rst iat=218,196,201,200, &end # # chirality for residue 7 atoms: C4' O5' H5'1 H5'2 &rst iat=199,195,197,198, &end # # chirality for residue 8 atoms: C2' O4' N9 H1' &rst iat=253,233,236,235, &end # # chirality for residue 8 atoms: C3' C1' H2'1 H2'2 &rst iat=251,234,254,255, &end # # chirality for residue 8 atoms: O3' C2' C4' H3' &rst iat=256,253,231,252, &end # # chirality for residue 8 atoms: C3' C5' O4' H4' &rst iat=251,228,233,232, &end # # chirality for residue 8 atoms: C4' O5' H5'1 H5'2 &rst iat=231,227,229,230, &end # # Manually input chirality restraints for C1+, mC2+ and mC6. # chirality for residue 1 atoms: C2' O4' N1 H1' &rst iat=25,8,11,10, &end # # chirality for residue 1 atoms: C3' C1' H2'1 H2'2 &rst iat=23,9,26,27, &end # # 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 # # chirality for residue 1 atoms: C4' O5' H5'1 H5'2 &rst iat=6,2,4,5, &end # # chirality for residue 2 atoms: C2' O4' N1 H1' &rst iat=55,39,42,41, &end # # chirality for residue 2 atoms: C3' C1' H2'1 H2'2 &rst iat=53,40,56,57, &end # # chirality for residue 2 atoms: O3' C2' C4' H3' &rst iat=58,55,37,54, &end # # chirality for residue 2 atoms: C3' C5' O4' H4' &rst iat=53,34,39,38, &end # # chirality for residue 2 atoms: C4' O5' H5'1 H5'2 &rst iat=37,33,35,36, &end # # chirality for residue 6 atoms: C2' O4' N1 H1' &rst iat=184,168,171,170, &end # # chirality for residue 6 atoms: C3' C1' H2'1 H2'2 &rst iat=182,169,185,186, &end # # chirality for residue 6 atoms: O3' C2' C4' H3' &rst iat=187,184,166,183, &end # # chirality for residue 6 atoms: C3' C5' O4' H4' &rst iat=182,163,168,167, &end # # chirality for residue 6 atoms: C4' O5' H5'1 H5'2 &rst iat=166,162,164,165, &end #
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