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 |
|
|
8420 |
1m94   |
5481 | cing | recoord | 1-original | 1 | XPLOR/CNS | dihedral angle |
remarks Hub1 constraints used in xplor 3.84
remarks table of backbone dihedrals
remarks : PHI CONSTRAINTS
remarks: HELIX
! phi is restrained to -57 + or - 25 degrees for J < 6
assign (resid 23 and name C ) (resid 24 and name N )
(resid 24 and name CA ) (resid 24 and name C ) 1.0 -57.0 25 2
assign (resid 24 and name C ) (resid 25 and name N )
(resid 25 and name CA ) (resid 25 and name C ) 1.0 -57.0 25 2
assign (resid 25 and name C ) (resid 26 and name N )
(resid 26 and name CA ) (resid 26 and name C ) 1.0 -57.0 25 2
assign (resid 26 and name C ) (resid 27 and name N )
(resid 27 and name CA ) (resid 27 and name C ) 1.0 -57.0 25 2
assign (resid 27 and name C ) (resid 28 and name N )
(resid 28 and name CA ) (resid 28 and name C ) 1.0 -57.0 25 2
assign (resid 28 and name C ) (resid 29 and name N )
(resid 29 and name CA ) (resid 29 and name C ) 1.0 -57.0 25 2
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 25 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 25 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 25 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 25 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 25 2
assign (resid 56 and name C ) (resid 57 and name N )
(resid 57 and name CA ) (resid 57 and name C ) 1.0 -57.0 25 2
assign (resid 57 and name C ) (resid 58 and name N )
(resid 58 and name CA ) (resid 58 and name C ) 1.0 -57.0 25 2
assign (resid 58 and name C ) (resid 59 and name N )
(resid 59 and name CA ) (resid 59 and name C ) 1.0 -57.0 25 2
assign (resid 59 and name C ) (resid 60 and name N )
(resid 60 and name CA ) (resid 60 and name C ) 1.0 -57.0 25 2
remarks: SHEET
! phi is restrained to -139 (used to be -120) + or - 40 degrees for J > 8
assign (resid 2 and name C ) (resid 3 and name N )
(resid 3 and name CA ) (resid 3 and name C ) 1.0 -139.0 40 2
assign (resid 3 and name C ) (resid 4 and name N )
(resid 4 and name CA ) (resid 4 and name C ) 1.0 -139.0 40 2
assign (resid 4 and name C ) (resid 5 and name N )
(resid 5 and name CA ) (resid 5 and name C ) 1.0 -139.0 40 2
assign (resid 5 and name C ) (resid 6 and name N )
(resid 6 and name CA ) (resid 6 and name C ) 1.0 -139.0 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 -139.0 40 2
assign (resid 12 and name C ) (resid 13 and name N )
(resid 13 and name CA ) (resid 13 and name C ) 1.0 -139.0 40 2
assign (resid 13 and name C ) (resid 14 and name N )
(resid 14 and name CA ) (resid 14 and name C ) 1.0 -139.0 40 2
assign (resid 14 and name C ) (resid 15 and name N )
(resid 15 and name CA ) (resid 15 and name C ) 1.0 -139.0 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 -139.0 40 2
assign (resid 16 and name C ) (resid 17 and name N )
(resid 17 and name CA ) (resid 17 and name C ) 1.0 -139.0 40 2
assign (resid 41 and name C ) (resid 42 and name N )
(resid 42 and name CA ) (resid 42 and name C ) 1.0 -139.0 40 2
assign (resid 42 and name C ) (resid 43 and name N )
(resid 43 and name CA ) (resid 43 and name C ) 1.0 -139.0 40 2
assign (resid 43 and name C ) (resid 44 and name N )
(resid 44 and name CA ) (resid 44 and name C ) 1.0 -139.0 40 2
assign (resid 44 and name C ) (resid 45 and name N )
(resid 45 and name CA ) (resid 45 and name C ) 1.0 -139.0 40 2
assign (resid 48 and name C ) (resid 49 and name N )
(resid 49 and name CA ) (resid 49 and name C ) 1.0 -139.0 40 2
assign (resid 66 and name C ) (resid 67 and name N )
(resid 67 and name CA ) (resid 67 and name C ) 1.0 -139.0 40 2
assign (resid 67 and name C ) (resid 68 and name N )
(resid 68 and name CA ) (resid 68 and name C ) 1.0 -139.0 40 2
assign (resid 68 and name C ) (resid 69 and name N )
(resid 69 and name CA ) (resid 69 and name C ) 1.0 -139.0 40 2
assign (resid 69 and name C ) (resid 70 and name N )
(resid 70 and name CA ) (resid 70 and name C ) 1.0 -139.0 40 2
assign (resid 70 and name C ) (resid 71 and name N )
(resid 71 and name CA ) (resid 71 and name C ) 1.0 -139.0 40 2
assign (resid 71 and name C ) (resid 72 and name N )
(resid 72 and name CA ) (resid 72 and name C ) 1.0 -139.0 40 2
remarks: OTHER
! phi is restrained to -57 + or - 30 degrees for J < 6
assign (resid 7 and name C ) (resid 8 and name N )
(resid 8 and name CA ) (resid 8 and name C ) 1.0 -57.0 30 2
assign (resid 19 and name C ) (resid 20 and name N )
(resid 20 and name CA ) (resid 20 and name C ) 1.0 -57.0 30 2
assign (resid 52 and name C ) (resid 53 and name N )
(resid 53 and name CA ) (resid 53 and name C ) 1.0 -57.0 30 2
assign (resid 53 and name C ) (resid 54 and name N )
(resid 54 and name CA ) (resid 54 and name C ) 1.0 -57.0 30 2
! phi is restrained to -130 + or - 50 degrees for J > 8
assign (resid 49 and name C ) (resid 50 and name N )
(resid 50 and name CA ) (resid 50 and name C ) 1.0 -130.0 50 2
assign (resid 54 and name C ) (resid 55 and name N )
(resid 55 and name CA ) (resid 55 and name C ) 1.0 -130.0 50 2
! phi is restrained to -100 + or - 80 when Ha-HN own is clearly weaker than prev.Ha
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
assign (resid 20 and name C ) (resid 21 and name N )
(resid 21 and name CA ) (resid 21 and name C ) 1.0 -100.0 80 2
assign (resid 22 and name C ) (resid 23 and name N )
(resid 23 and name CA ) (resid 23 and name C ) 1.0 -100.0 80 2
assign (resid 45 and name C ) (resid 46 and name N )
(resid 46 and name CA ) (resid 46 and name C ) 1.0 -100.0 80 2
assign (resid 49 and name C ) (resid 50 and name N )
(resid 50 and name CA ) (resid 50 and name C ) 1.0 -100.0 80 2
assign (resid 51 and name C ) (resid 52 and name N )
(resid 52 and name CA ) (resid 52 and name C ) 1.0 -100.0 80 2
assign (resid 62 and name C ) (resid 63 and name N )
(resid 63 and name CA ) (resid 63 and name C ) 1.0 -100.0 80 2
assign (resid 63 and name C ) (resid 64 and name N )
(resid 64 and name CA ) (resid 64 and name C ) 1.0 -100.0 80 2
remarks: PSI CONSTRAINTS
remarks: HELIX
assign (resid 24 and name N ) (resid 24 and name CA )
(resid 24 and name C ) (resid 25 and name N ) 1.0 -47.0 30 2
assign (resid 25 and name N ) (resid 25 and name CA )
(resid 25 and name C ) (resid 26 and name N ) 1.0 -47.0 30 2
assign (resid 26 and name N ) (resid 26 and name CA )
(resid 26 and name C ) (resid 27 and name N ) 1.0 -47.0 30 2
assign (resid 27 and name N ) (resid 27 and name CA )
(resid 27 and name C ) (resid 28 and name N ) 1.0 -47.0 30 2
assign (resid 28 and name N ) (resid 28 and name CA )
(resid 28 and name C ) (resid 29 and name N ) 1.0 -47.0 30 2
assign (resid 29 and name N ) (resid 29 and name CA )
(resid 29 and name C ) (resid 30 and name N ) 1.0 -47.0 30 2
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 30 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 30 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 30 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 30 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 30 2
assign (resid 57 and name N ) (resid 57 and name CA )
(resid 57 and name C ) (resid 58 and name N ) 1.0 -47.0 30 2
assign (resid 58 and name N ) (resid 58 and name CA )
(resid 58 and name C ) (resid 59 and name N ) 1.0 -47.0 30 2
assign (resid 59 and name N ) (resid 59 and name CA )
(resid 59 and name C ) (resid 60 and name N ) 1.0 -47.0 30 2
assign (resid 60 and name N ) (resid 60 and name CA )
(resid 60 and name C ) (resid 61 and name N ) 1.0 -47.0 30 2
remarks: SHEET
assign (resid 3 and name N ) (resid 3 and name CA )
(resid 3 and name C ) (resid 4 and name N ) 1.0 140.0 40 2
assign (resid 4 and name N ) (resid 4 and name CA )
(resid 4 and name C ) (resid 5 and name N ) 1.0 140.0 40 2
assign (resid 5 and name N ) (resid 5 and name CA )
(resid 5 and name C ) (resid 6 and name N ) 1.0 140.0 40 2
assign (resid 6 and name N ) (resid 6 and name CA )
(resid 6 and name C ) (resid 7 and name N ) 1.0 140.0 40 2
assign (resid 7 and name N ) (resid 7 and name CA )
(resid 7 and name C ) (resid 8 and name N ) 1.0 140.0 40 2
assign (resid 13 and name N ) (resid 13 and name CA )
(resid 13 and name C ) (resid 14 and name N ) 1.0 140.0 40 2
assign (resid 14 and name N ) (resid 14 and name CA )
(resid 14 and name C ) (resid 15 and name N ) 1.0 140.0 40 2
assign (resid 15 and name N ) (resid 15 and name CA )
(resid 15 and name C ) (resid 16 and name N ) 1.0 140.0 40 2
assign (resid 16 and name N ) (resid 16 and name CA )
(resid 16 and name C ) (resid 17 and name N ) 1.0 140.0 40 2
assign (resid 17 and name N ) (resid 17 and name CA )
(resid 17 and name C ) (resid 18 and name N ) 1.0 140.0 40 2
assign (resid 42 and name N ) (resid 42 and name CA )
(resid 42 and name C ) (resid 43 and name N ) 1.0 140.0 40 2
assign (resid 43 and name N ) (resid 43 and name CA )
(resid 43 and name C ) (resid 44 and name N ) 1.0 140.0 40 2
assign (resid 44 and name N ) (resid 44 and name CA )
(resid 44 and name C ) (resid 45 and name N ) 1.0 140.0 40 2
assign (resid 45 and name N ) (resid 45 and name CA )
(resid 45 and name C ) (resid 46 and name N ) 1.0 140.0 40 2
assign (resid 49 and name N ) (resid 49 and name CA )
(resid 49 and name C ) (resid 50 and name N ) 1.0 140.0 40 2
assign (resid 67 and name N ) (resid 67 and name CA )
(resid 67 and name C ) (resid 68 and name N ) 1.0 140.0 40 2
assign (resid 68 and name N ) (resid 68 and name CA )
(resid 68 and name C ) (resid 69 and name N ) 1.0 140.0 40 2
assign (resid 69 and name N ) (resid 69 and name CA )
(resid 69 and name C ) (resid 70 and name N ) 1.0 140.0 40 2
assign (resid 70 and name N ) (resid 70 and name CA )
(resid 70 and name C ) (resid 71 and name N ) 1.0 140.0 40 2
assign (resid 71 and name N ) (resid 71 and name CA )
(resid 71 and name C ) (resid 72 and name N ) 1.0 140.0 40 2
assign (resid 72 and name N ) (resid 72 and name CA )
(resid 72 and name C ) (resid 73 and name N ) 1.0 140.0 40 2
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