NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
9030 1na2 5632 cing 1-original 2 XPLOR/CNS planarity


!{* keep Gua amino groups flat *}
for $namin in (1 2 3 6 15 18 26) 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 (4 12 14 16 20 24 27 28 29 30) 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 (19 25) 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  
end 

end loop amino3



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Monday, May 13, 2024 10:01:42 AM GMT (wattos1)