Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
27312 | 2qh3 RC | 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