NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27312 | 2qh3 | 7404 | cing | 1-original | 5 | XPLOR/CNS | dihedral angle |
!{* keep Gua amino groups flat *} for $namin in (1 2 4 6 14 16 17) loop amino restraints dihedral scale= 1.0 assign (resid $namin and name H21 ) (resid $namin and name N2 ) (resid $namin and name C2 ) (resid $namin and name N1 ) 3.0 0.0 3.0 2 assign (resid $namin and name H22 ) (resid $namin and name N2 ) (resid $namin and name C2 ) (resid $namin and name N3 ) 3.0 0.0 3.0 2 end end loop amino !{* keep cytosine amino flat *} for $namin2 in (7 8 12 18 20 22 23) loop amino2 restraints dihedral scale= 1.0 assign (resid $namin2 and name H41) (resid $namin2 and name N4 ) (resid $namin2 and name C4 ) (resid $namin2 and name N3 ) 3.0 0.0 3.0 2 assign (resid $namin2 and name H42) (resid $namin2 and name N4 ) (resid $namin2 and name C4 ) (resid $namin2 and name C5 ) 3.0 0.0 3.0 2 end end loop amino2 !{* keep adenine amino flat *} for $namin3 in (3 11 19) loop amino3 restraints dihedral scale= 1.0 assign (resid $namin3 and name H61) (resid $namin3 and name N6 ) (resid $namin3 and name C6 ) (resid $namin3 and name N1 ) 3.0 0.0 3.0 2 assign (resid $namin3 and name H62) (resid $namin3 and name N6 ) (resid $namin3 and name C6 ) (resid $namin3 and name C5 ) 3.0 0.0 3.0 2 !RDC assign (resid $nchir and name O4' ) (resid $nchir and ((resname CYT and name N1) or (resname URI and name N1) or (resname GUA and name N9) or (resname ADE and name N9) ) ) (resid $nchir and name C2' ) (resid $nchir and name H1' ) 3.0 70.0 20.0 2 assign (resid $nchir and name C1' ) (resid $nchir and name C3' ) (resid $nchir and name O2' ) {changed from H2'' for use on ribose--jem} (resid $nchir and name H2' ) 3.0 70.0 20.0 2 assign (resid $nchir and name C2' ) (resid $nchir and name C4' ) (resid $nchir and name O3' ) (resid $nchir and name H3' ) 3.0 70.0 20.0 2 assign (resid $nchir and name C3' ) (resid $nchir and name C5' ) (resid $nchir and name O4' ) (resid $nchir and name H4' ) 3.0 70.0 20.0 2 assign (resid $nchir and name C4' ) (resid $nchir and name O5' ) (resid $nchir and name H5'' ) (resid $nchir and name H5' ) 3.0 70.0 20.0 2 end end loop chiral !{* keep Gua amino groups flat *} for $namin in (1 2 4 6 14 16 17) loop amino restraints dihedral scale= 1.0 assign (resid $namin and name H21 ) (resid $namin and name N2 ) (resid $namin and name C2 ) (resid $namin and name N1 ) 3.0 0.0 3.0 2 assign (resid $namin and name H22 ) (resid $namin and name N2 ) (resid $namin and name C2 ) (resid $namin and name N3 ) 3.0 0.0 3.0 2 end end loop amino !{* keep cytosine amino flat *} for $namin2 in (7 8 12 18 20 22 23) loop amino2 restraints dihedral scale= 1.0 assign (resid $namin2 and name H41) (resid $namin2 and name N4 ) (resid $namin2 and name C4 ) (resid $namin2 and name N3 ) 3.0 0.0 3.0 2 assign (resid $namin2 and name H42) (resid $namin2 and name N4 ) (resid $namin2 and name C4 ) (resid $namin2 and name C5 ) 3.0 0.0 3.0 2 end end loop amino2 !{* keep adenine amino flat *} for $namin3 in (3 11 19) loop amino3 restraints dihedral scale= 1.0 assign (resid $namin3 and name H61) (resid $namin3 and name N6 ) (resid $namin3 and name C6 ) (resid $namin3 and name N1 ) 3.0 0.0 3.0 2 assign (resid $namin3 and name H62) (resid $namin3 and name N6 ) (resid $namin3 and name C6 ) (resid $namin3 and name C5 ) 3.0 0.0 3.0 2 Entry H atom name Submitted Coord H atom name
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