NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
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9103 |
1nd9   |
5624 | cing | recoord | 1-original | 3 | XPLOR/CNS | dihedral angle |
{ Dihedral angle constraits are used as follows:
Torsion angle restraints are used to restrict dihedral angles
to values within the range typical of beta sheets and alpha helices,
when these regions of regular secondary structure are clearly identified
by characteristic NOE cross peaks and chemical shift values. }
{*** beta strand 3 to 5 ***}
assign (resid 2 and name o) (resid 3 and name n)
(resid 3 and name ca) (resid 3 and name o) 1.0 -120.0 25.0 2
assign (resid 3 and name n) (resid 3 and name ca)
(resid 3 and name c) (resid 4 and name n ) 1.0 150.0 25.0 2
assign (resid 3 and name o) (resid 4 and name n)
(resid 4 and name ca) (resid 4 and name o) 1.0 -120.0 25.0 2
assign (resid 4 and name n) (resid 4 and name ca)
(resid 4 and name c) (resid 5 and name n ) 1.0 150.0 25.0 2
assign (resid 4 and name o) (resid 5 and name n)
(resid 5 and name ca) (resid 5 and name o) 1.0 -120.0 25.0 2
assign (resid 5 and name n) (resid 5 and name ca)
(resid 5 and name c) (resid 6 and name n ) 1.0 150.0 25.0 2
{*** alpha helix 8 to 13 ***}
assign (resid 8 and name c ) (resid 9 and name n)
(resid 9 and name ca) (resid 9 and name c ) 1.0 -60.0 10.0 2
assign (resid 9 and name n ) (resid 9 and name ca)
(resid 9 and name c ) (resid 10 and name n ) 1.0 -60.0 10.0 2
assign (resid 9 and name c ) (resid 10 and name n)
(resid 10 and name ca) (resid 10 and name c ) 1.0 -60.0 10.0 2
assign (resid 10 and name n ) (resid 10 and name ca)
(resid 10 and name c ) (resid 11 and name n ) 1.0 -60.0 10.0 2
assign (resid 10 and name c ) (resid 11 and name n)
(resid 11 and name ca) (resid 11 and name c ) 1.0 -60.0 10.0 2
assign (resid 11 and name n ) (resid 11 and name ca)
(resid 11 and name c ) (resid 12 and name n ) 1.0 -60.0 10.0 2
assign (resid 11 and name c ) (resid 12 and name n)
(resid 12 and name ca) (resid 12 and name c ) 1.0 -60.0 10.0 2
assign (resid 12 and name n ) (resid 12 and name ca)
(resid 12 and name c ) (resid 13 and name n ) 1.0 -60.0 10.0 2
assign (resid 12 and name c ) (resid 13 and name n)
(resid 13 and name ca) (resid 13 and name c ) 1.0 -60.0 10.0 2
assign (resid 13 and name n ) (resid 13 and name ca)
(resid 13 and name c ) (resid 14 and name n ) 1.0 -60.0 10.0 2
{*** alpha helix 16 to 26 ***}
assign (resid 16 and name c ) (resid 17 and name n )
(resid 17 and name ca) (resid 17 and name c ) 1.0 -60.0 10.0 2
assign (resid 17 and name n ) (resid 17 and name ca)
(resid 17 and name c ) (resid 18 and name n ) 1.0 -60.0 10.0 2
assign (resid 17 and name c ) (resid 18 and name n )
(resid 18 and name ca) (resid 18 and name c ) 1.0 -60.0 10.0 2
assign (resid 18 and name n ) (resid 18 and name ca)
(resid 18 and name c ) (resid 19 and name n ) 1.0 -60.0 10.0 2
assign (resid 18 and name c ) (resid 19 and name n )
(resid 19 and name ca) (resid 19 and name c ) 1.0 -60.0 10.0 2
assign (resid 19 and name n ) (resid 19 and name ca)
(resid 19 and name c ) (resid 20 and name n ) 1.0 -60.0 10.0 2
assign (resid 19 and name c ) (resid 20 and name n )
(resid 20 and name ca) (resid 20 and name c ) 1.0 -60.0 10.0 2
assign (resid 20 and name n ) (resid 20 and name ca)
(resid 20 and name c ) (resid 21 and name n ) 1.0 -60.0 10.0 2
assign (resid 20 and name c ) (resid 21 and name n )
(resid 21 and name ca) (resid 21 and name c ) 1.0 -60.0 10.0 2
assign (resid 21 and name n ) (resid 21 and name ca)
(resid 21 and name c ) (resid 22 and name n ) 1.0 -60.0 10.0 2
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca) (resid 22 and name c ) 1.0 -60.0 10.0 2
assign (resid 22 and name n ) (resid 22 and name ca)
(resid 22 and name c ) (resid 23 and name n ) 1.0 -60.0 10.0 2
assign (resid 22 and name c ) (resid 23 and name n )
(resid 23 and name ca) (resid 23 and name c ) 1.0 -60.0 10.0 2
assign (resid 23 and name n ) (resid 23 and name ca)
(resid 23 and name c ) (resid 24 and name n ) 1.0 -60.0 10.0 2
assign (resid 23 and name c ) (resid 24 and name n )
(resid 24 and name ca) (resid 24 and name c ) 1.0 -60.0 10.0 2
assign (resid 24 and name n ) (resid 24 and name ca)
(resid 24 and name c ) (resid 25 and name n ) 1.0 -60.0 10.0 2
assign (resid 24 and name c ) (resid 25 and name n )
(resid 25 and name ca) (resid 25 and name c ) 1.0 -60.0 10.0 2
assign (resid 25 and name n ) (resid 25 and name ca)
(resid 25 and name c ) (resid 26 and name n ) 1.0 -60.0 10.0 2
assign (resid 25 and name c ) (resid 26 and name n )
(resid 26 and name ca) (resid 26 and name c ) 1.0 -60.0 10.0 2
assign (resid 26 and name n ) (resid 26 and name ca)
(resid 26 and name c ) (resid 27 and name n ) 1.0 -60.0 10.0 2
{*** beta strand 29 to 32 ***}
assign (resid 28 and name o) (resid 29 and name n)
(resid 29 and name ca) (resid 29 and name o) 1.0 -120.0 25.0 2
assign (resid 29 and name n) (resid 29 and name ca)
(resid 29 and name c) (resid 30 and name n ) 1.0 150.0 25.0 2
assign (resid 29 and name o) (resid 30 and name n)
(resid 30 and name ca) (resid 30 and name o) 1.0 -120.0 25.0 2
assign (resid 30 and name n) (resid 30 and name ca)
(resid 30 and name c) (resid 31 and name n ) 1.0 150.0 25.0 2
assign (resid 30 and name o) (resid 31 and name n)
(resid 31 and name ca) (resid 31 and name o) 1.0 -120.0 25.0 2
assign (resid 31 and name n) (resid 31 and name ca)
(resid 31 and name c) (resid 32 and name n ) 1.0 150.0 25.0 2
assign (resid 31 and name o) (resid 32 and name n)
(resid 32 and name ca) (resid 32 and name o) 1.0 -120.0 25.0 2
assign (resid 32 and name n) (resid 32 and name ca)
(resid 32 and name c) (resid 33 and name n ) 1.0 150.0 25.0 2
{*** beta strand 36 to 39 ***}
assign (resid 36 and name o) (resid 37 and name n)
(resid 37 and name ca) (resid 37 and name o) 1.0 -120.0 25.0 2
assign (resid 37 and name n) (resid 37 and name ca)
(resid 37 and name c) (resid 38 and name n ) 1.0 150.0 25.0 2
assign (resid 37 and name o) (resid 38 and name n)
(resid 38 and name ca) (resid 38 and name o) 1.0 -120.0 25.0 2
assign (resid 38 and name n) (resid 38 and name ca)
(resid 38 and name c) (resid 39 and name n ) 1.0 150.0 25.0 2
assign (resid 38 and name o) (resid 39 and name n)
(resid 39 and name ca) (resid 39 and name o) 1.0 -120.0 25.0 2
assign (resid 39 and name n) (resid 39 and name ca)
(resid 39 and name c) (resid 40 and name n ) 1.0 150.0 25.0 2
{*** alpha helix 43 to 50 ***}
assign (resid 43 and name c ) (resid 44 and name n )
(resid 44 and name ca) (resid 44 and name c ) 1.0 -60.0 10.0 2
assign (resid 44 and name n ) (resid 44 and name ca)
(resid 44 and name c ) (resid 45 and name n ) 1.0 -60.0 10.0 2
assign (resid 44 and name c ) (resid 45 and name n )
(resid 45 and name ca) (resid 45 and name c ) 1.0 -60.0 10.0 2
assign (resid 45 and name n ) (resid 45 and name ca)
(resid 45 and name c ) (resid 46 and name n ) 1.0 -60.0 10.0 2
assign (resid 45 and name c ) (resid 46 and name n )
(resid 46 and name ca) (resid 46 and name c ) 1.0 -60.0 10.0 2
assign (resid 46 and name n ) (resid 46 and name ca)
(resid 46 and name c ) (resid 47 and name n ) 1.0 -60.0 10.0 2
assign (resid 46 and name c ) (resid 47 and name n )
(resid 47 and name ca) (resid 47 and name c ) 1.0 -60.0 10.0 2
assign (resid 47 and name n ) (resid 47 and name ca)
(resid 47 and name c ) (resid 48 and name n ) 1.0 -60.0 10.0 2
assign (resid 47 and name c ) (resid 48 and name n )
(resid 48 and name ca) (resid 48 and name c ) 1.0 -60.0 10.0 2
assign (resid 48 and name n ) (resid 48 and name ca)
(resid 48 and name c ) (resid 49 and name n ) 1.0 -60.0 10.0 2
assign (resid 48 and name c ) (resid 49 and name n )
(resid 49 and name ca) (resid 49 and name c ) 1.0 -60.0 10.0 2
assign (resid 49 and name n ) (resid 49 and name ca)
(resid 49 and name c ) (resid 50 and name n ) 1.0 -60.0 10.0 2
assign (resid 48 and name c ) (resid 49 and name n )
(resid 49 and name ca) (resid 49 and name c ) 1.0 -60.0 10.0 2
assign (resid 49 and name n ) (resid 49 and name ca)
(resid 49 and name c ) (resid 50 and name n ) 1.0 -60.0 10.0 2
assign (resid 49 and name c ) (resid 50 and name n )
(resid 50 and name ca) (resid 50 and name c ) 1.0 -60.0 10.0 2
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