NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
8251 |
1lv3   |
5335 | cing | 1-original | 7 | XPLOR/CNS | dihedral angle |
remarks BACKBONE DIHEDRAL RESTRAINTS
remarks : PHI restraints
remarks: HELIX
! phi is restrained to -57 + or - 20 degrees for J < 6.5
assign (resid 29 and name C ) (resid 30 and name N )
(resid 30 and name CA ) (resid 30 and name C ) 1.0 -57.0 20 2
assign (resid 30 and name C ) (resid 31 and name N )
(resid 31 and name CA ) (resid 31 and name C ) 1.0 -57.0 20 2
assign (resid 31 and name C ) (resid 32 and name N )
(resid 32 and name CA ) (resid 32 and name C ) 1.0 -57.0 20 2
assign (resid 32 and name C ) (resid 33 and name N )
(resid 33 and name CA ) (resid 33 and name C ) 1.0 -57.0 20 2
assign (resid 33 and name C ) (resid 34 and name N )
(resid 34 and name CA ) (resid 34 and name C ) 1.0 -57.0 20 2
assign (resid 34 and name C ) (resid 35 and name N )
(resid 35 and name CA ) (resid 35 and name C ) 1.0 -57.0 20 2
assign (resid 35 and name C ) (resid 36 and name N )
(resid 36 and name CA ) (resid 36 and name C ) 1.0 -57.0 20 2
assign (resid 36 and name C ) (resid 37 and name N )
(resid 37 and name CA ) (resid 37 and name C ) 1.0 -57.0 20 2
remarks: SHEET
! phi is restrained to -120 + or - 40 degrees for J > 8
assign (resid 4 and name C ) (resid 5 and name N )
(resid 5 and name CA ) (resid 5 and name C ) 1.0 -120.0 40 2
assign (resid 6 and name C ) (resid 7 and name N )
(resid 7 and name CA ) (resid 7 and name C ) 1.0 -120.0 40 2
assign (resid 7 and name C ) (resid 8 and name N )
(resid 8 and name CA ) (resid 8 and name C ) 1.0 -120.0 40 2
assign (resid 15 and name C ) (resid 16 and name N )
(resid 16 and name CA ) (resid 16 and name C ) 1.0 -120.0 40 2
remarks: OTHER
! phi is restrained to -100 + or - 80 when Ha-HN own is clearly weaker than prev.Ha
assign (resid 5 and name C ) (resid 6 and name N )
(resid 6 and name CA ) (resid 6 and name C ) 1.0 -100.0 80 2
assign (resid 17 and name C ) (resid 18 and name N )
(resid 18 and name CA ) (resid 18 and name C ) 1.0 -100.0 80 2
! phi is restrained to -130 + or - 50 degrees for J > 8
assign (resid 21 and name C ) (resid 22 and name N )
(resid 22 and name CA ) (resid 22 and name C ) 1.0 -130.0 50 2
assign (resid 23 and name C ) (resid 24 and name N )
(resid 24 and name CA ) (resid 24 and name C ) 1.0 -130.0 50 2
remarks: PSI restraits
remarks: HELIX
assign (resid 30 and name N ) (resid 30 and name CA )
(resid 30 and name C ) (resid 31 and name N ) 1.0 -47.0 20 2
assign (resid 31 and name N ) (resid 31 and name CA )
(resid 31 and name C ) (resid 32 and name N ) 1.0 -47.0 20 2
assign (resid 32 and name N ) (resid 32 and name CA )
(resid 32 and name C ) (resid 33 and name N ) 1.0 -47.0 20 2
assign (resid 33 and name N ) (resid 33 and name CA )
(resid 33 and name C ) (resid 34 and name N ) 1.0 -47.0 20 2
assign (resid 34 and name N ) (resid 34 and name CA )
(resid 34 and name C ) (resid 35 and name N ) 1.0 -47.0 20 2
assign (resid 35 and name N ) (resid 35 and name CA )
(resid 35 and name C ) (resid 36 and name N ) 1.0 -47.0 20 2
assign (resid 36 and name N ) (resid 36 and name CA )
(resid 36 and name C ) (resid 37 and name N ) 1.0 -47.0 20 2
assign (resid 37 and name N ) (resid 37 and name CA )
(resid 37 and name C ) (resid 38 and name N ) 1.0 -47.0 20 2
remarks: SHEET
assign (resid 5 and name N ) (resid 5 and name CA )
(resid 5 and name C ) (resid 6 and name N ) 1.0 135.0 40 2
assign (resid 6 and name N ) (resid 6 and name CA )
(resid 6 and name C ) (resid 7 and name N ) 1.0 135.0 40 2
assign (resid 7 and name N ) (resid 7 and name CA )
(resid 7 and name C ) (resid 8 and name N ) 1.0 135.0 40 2
assign (resid 8 and name N ) (resid 8 and name CA )
(resid 8 and name C ) (resid 9 and name N ) 1.0 135.0 40 2
assign (resid 16 and name N ) (resid 16 and name CA )
(resid 16 and name C ) (resid 17 and name N ) 1.0 135.0 40 2
end
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