NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
572096 | 2miy | 19698 | cing | 1-original | 4 | XPLOR/CNS | dihedral angle |
set message=on echo=on end for $nchir in (1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16) loop chiral restraints dihedral scale= 1.0 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 for $nchir in (17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32) loop chiral restraints dihedral scale= 1.0 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 for $nchir in (33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48) loop chiral restraints dihedral scale= 1.0 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 for $nchir in (49 50 51 52 53 54 55 56 57 58) loop chiral restraints dihedral scale= 1.0 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 4 5 7 12 26 37 39 40 47 53 54 56 59) 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 (1 8 13 20 22 23 27 34 36 38 45 46 48 49) 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 (11 21 24 25 28 30 33 35 41 43 44 50 51 52 55 57 58) 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
Contact the webmaster for help, if required. Thursday, May 2, 2024 2:05:11 PM GMT (wattos1)