NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
16492 |
2a7y   |
7000 | cing | 1-original | 5 | XPLOR/CNS | dihedral angle |
!! Phi restraints: minimum deviation = -139 +/- 40 using Ha to HN NOE of its
!! beta sheets
!! 2
assign (resid 1 and name c ) (resid 2 and name n )
(resid 2 and name ca) (resid 2 and name c ) 1.0 -139.0 40.0 2
!! 3
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 40.0 2
!! 4
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 40.0 2
!! 7
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 40.0 2
!! 8
assign (resid 7 and name c ) (resid 8 and name n )
(resid 8 and name ca) (resid 8 and name c ) 1.0 -139.0 40.0 2
!! 9
assign (resid 8 and name c ) (resid 9 and name n )
(resid 9 and name ca) (resid 9 and name c ) 1.0 -139.0 40.0 2
!! 10
assign (resid 9 and name c ) (resid 10 and name n )
(resid 10 and name ca) (resid 10 and name c ) 1.0 -139.0 40.0 2
!! 11-talos
assign (resid 10 and name c ) (resid 11 and name n )
(resid 11 and name ca) (resid 11 and name c ) 1.0 -139.0 40.0 2
!! 22
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca) (resid 22 and name c ) 1.0 -139.0 40.0 2
!! 23
assign (resid 22 and name c ) (resid 23 and name n )
(resid 23 and name ca) (resid 23 and name c ) 1.0 -139.0 40.0 2
!! 24
assign (resid 23 and name c ) (resid 24 and name n )
(resid 24 and name ca) (resid 24 and name c ) 1.0 -139.0 40.0 2
!! 27-Talos
assign (resid 26 and name c ) (resid 27 and name n )
(resid 27 and name ca) (resid 27 and name c ) 1.0 -139.0 40.0 2
!! 28-Talos
assign (resid 27 and name c ) (resid 28 and name n )
(resid 28 and name ca) (resid 28 and name c ) 1.0 -139.0 40.0 2
!! 37
assign (resid 36 and name c ) (resid 37 and name n )
(resid 37 and name ca) (resid 37 and name c ) 1.0 -139.0 40.0 2
!! 38
assign (resid 37 and name c ) (resid 38 and name n )
(resid 38 and name ca) (resid 38 and name c ) 1.0 -139.0 40.0 2
!! 39
assign (resid 38 and name c ) (resid 39 and name n )
(resid 39 and name ca) (resid 39 and name c ) 1.0 -139.0 40.0 2
!! 40
assign (resid 39 and name c ) (resid 40 and name n )
(resid 40 and name ca) (resid 40 and name c ) 1.0 -139.0 40.0 2
!! 42- TURN
assign (resid 41 and name c ) (resid 42 and name n )
(resid 42 and name ca) (resid 42 and name c ) 1.0 -60.0 40.0 2
!! 43- TURN
assign (resid 42 and name c ) (resid 43 and name n )
(resid 43 and name ca) (resid 43 and name c ) 1.0 -60.0 40.0 2
!! 44-TURN
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 40.0 2
!! 46
assign (resid 45 and name c ) (resid 46 and name n )
(resid 46 and name ca) (resid 46 and name c ) 1.0 -139.0 40.0 2
!! 47
assign (resid 46 and name c ) (resid 47 and name n )
(resid 47 and name ca) (resid 47 and name c ) 1.0 -139.0 40.0 2
!! 48
assign (resid 47 and name c ) (resid 48 and name n )
(resid 48 and name ca) (resid 48 and name c ) 1.0 -139.0 40.0 2
!! 49
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 40.0 2
!! 50
assign (resid 49 and name c ) (resid 50 and name n )
(resid 50 and name ca) (resid 50 and name c ) 1.0 -139.0 40.0 2
!! 51-
assign (resid 50 and name c ) (resid 51 and name n )
(resid 51 and name ca) (resid 51 and name c ) 1.0 -139.0 40.0 2
!! 56-Talos
assign (resid 45 and name c ) (resid 56 and name n )
(resid 56 and name ca) (resid 56 and name c ) 1.0 -139.0 40.0 2
!! 57
assign (resid 56 and name c ) (resid 57 and name n )
(resid 57 and name ca) (resid 57 and name c ) 1.0 -139.0 40.0 2
!! 58
assign (resid 57 and name c ) (resid 58 and name n )
(resid 58 and name ca) (resid 58 and name c ) 1.0 -139.0 40.0 2
!! 59
assign (resid 58 and name c ) (resid 59 and name n )
(resid 59 and name ca) (resid 59 and name c ) 1.0 -139.0 40.0 2
!! alpha helices -57 +/- 25
!! 61
assign (resid 60 and name c ) (resid 61 and name n )
(resid 61 and name ca) (resid 61 and name c ) 1.0 -57.0 25.0 2
!! 62
assign (resid 61 and name c ) (resid 62 and name n )
(resid 62 and name ca) (resid 62 and name c ) 1.0 -57.0 25.0 2
!! 63
assign (resid 62 and name c ) (resid 63 and name n )
(resid 63 and name ca) (resid 63 and name c ) 1.0 -57.0 25.0 2
!! 64
assign (resid 63 and name c ) (resid 64 and name n )
(resid 64 and name ca) (resid 64 and name c ) 1.0 -57.0 25.0 2
!! 65
assign (resid 64 and name c ) (resid 65 and name n )
(resid 65 and name ca) (resid 65 and name c ) 1.0 -57.0 25.0 2
!! 66
assign (resid 65 and name c ) (resid 66 and name n )
(resid 66 and name ca) (resid 66 and name c ) 1.0 -57.0 25.0 2
!! 67
assign (resid 66 and name c ) (resid 67 and name n )
(resid 67 and name ca) (resid 67 and name c ) 1.0 -57.0 25.0 2
!! 68
assign (resid 67 and name c ) (resid 68 and name n )
(resid 68 and name ca) (resid 68 and name c ) 1.0 -57.0 25.0 2
!! 69
assign (resid 68 and name c ) (resid 69 and name n )
(resid 69 and name ca) (resid 69 and name c ) 1.0 -57.0 25.0 2
!! 70
assign (resid 69 and name c ) (resid 70 and name n )
(resid 70 and name ca) (resid 70 and name c ) 1.0 -57.0 25.0 2
!! 71
assign (resid 70 and name c ) (resid 71 and name n )
(resid 71 and name ca) (resid 71 and name c ) 1.0 -57.0 25.0 2
!! 72
assign (resid 71 and name c ) (resid 72 and name n )
(resid 72 and name ca) (resid 72 and name c ) 1.0 -57.0 25.0 2
!! 73
assign (resid 72 and name c ) (resid 73 and name n )
(resid 73 and name ca) (resid 73 and name c ) 1.0 -57.0 25.0 2
!! 74
assign (resid 73 and name c ) (resid 74 and name n )
(resid 74 and name ca) (resid 74 and name c ) 1.0 -57.0 25.0 2
!! PSI restraints
!! B-sheets.
!! 2
assign (resid 2 and name N ) (resid 2 and name CA )
(resid 2 and name C ) (resid 3 and name N ) 1.0 140.0 40 2
!! 3
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
!! 4
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
!! 7
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
!! 8
assign (resid 8 and name N ) (resid 8 and name CA )
(resid 8 and name C ) (resid 9 and name N ) 1.0 140.0 40 2
!! 9
assign (resid 9 and name N ) (resid 9 and name CA )
(resid 9 and name C ) (resid 10 and name N ) 1.0 140.0 40 2
!! 10
assign (resid 10 and name N ) (resid 10 and name CA )
(resid 10 and name C ) (resid 11 and name N ) 1.0 140.0 40 2
!! 11-Talos
assign (resid 11 and name N ) (resid 11 and name CA )
(resid 11 and name C ) (resid 12 and name N ) 1.0 140.0 40 2
!! 22
assign (resid 22 and name N ) (resid 22 and name CA )
(resid 22 and name C ) (resid 23 and name N ) 1.0 140.0 40 2
!! 23
assign (resid 23 and name N ) (resid 23 and name CA )
(resid 23 and name C ) (resid 24 and name N ) 1.0 140.0 40 2
!! 24
assign (resid 24 and name N ) (resid 24 and name CA )
(resid 24 and name C ) (resid 25 and name N ) 1.0 140.0 50 2
!! 27-Talos
assign (resid 27 and name N ) (resid 27 and name CA )
(resid 27 and name C ) (resid 28 and name N ) 1.0 140.0 40 2
!! 28
assign (resid 28 and name N ) (resid 28 and name CA )
(resid 28 and name C ) (resid 29 and name N ) 1.0 140.0 40 2
!! 37
assign (resid 37 and name N ) (resid 37 and name CA )
(resid 37 and name C ) (resid 38 and name N ) 1.0 140.0 40 2
!! 38
assign (resid 38 and name N ) (resid 38 and name CA )
(resid 38 and name C ) (resid 39 and name N ) 1.0 140.0 40 2
!! 39
assign (resid 39 and name N ) (resid 39 and name CA )
(resid 39 and name C ) (resid 40 and name N ) 1.0 140.0 40 2
!! 40
assign (resid 40 and name N ) (resid 40 and name CA )
(resid 40 and name C ) (resid 41 and name N ) 1.0 140.0 40 2
!! 42- TURN
assign (resid 42 and name N ) (resid 42 and name CA )
(resid 42 and name C ) (resid 43 and name N ) 1.0 -40.0 50 2
!! 43- TURN
assign (resid 43 and name N ) (resid 43 and name CA )
(resid 43 and name C ) (resid 44 and name N ) 1.0 -40.0 50 2
!! 44- TURN
assign (resid 44 and name N ) (resid 44 and name CA )
(resid 44 and name C ) (resid 45 and name N ) 1.0 -40.0 50 2
!! 46
assign (resid 46 and name N ) (resid 46 and name CA )
(resid 46 and name C ) (resid 47 and name N ) 1.0 140.0 40 2
!! 47
assign (resid 47 and name N ) (resid 47 and name CA )
(resid 47 and name C ) (resid 48 and name N ) 1.0 140.0 40 2
!! 48
assign (resid 48 and name N ) (resid 48 and name CA )
(resid 48 and name C ) (resid 49 and name N ) 1.0 140.0 40 2
!! 49
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
!! 50
assign (resid 50 and name N ) (resid 50 and name CA )
(resid 50 and name C ) (resid 51 and name N ) 1.0 140.0 40 2
!! 51-
assign (resid 51 and name N ) (resid 51 and name CA )
(resid 51 and name C ) (resid 52 and name N ) 1.0 140.0 40 2
!! 56-Talos
assign (resid 56 and name N ) (resid 56 and name CA )
(resid 56 and name C ) (resid 57 and name N ) 1.0 140.0 40 2
!! 57
assign (resid 57 and name N ) (resid 57 and name CA )
(resid 57 and name C ) (resid 58 and name N ) 1.0 140.0 40 2
!! 58
assign (resid 58 and name N ) (resid 58 and name CA )
(resid 58 and name C ) (resid 59 and name N ) 1.0 140.0 40 2
!! 59
assign (resid 59 and name N ) (resid 59 and name CA )
(resid 59 and name C ) (resid 60 and name N ) 1.0 140.0 40 2
!! a-helices
!! 61
assign (resid 61 and name N ) (resid 61 and name CA )
(resid 61 and name C ) (resid 62 and name N ) 1.0 -47.0 30 2
!! 62
assign (resid 62 and name N ) (resid 62 and name CA )
(resid 62 and name C ) (resid 63 and name N ) 1.0 -47.0 30 2
!! 63
assign (resid 63 and name N ) (resid 63 and name CA )
(resid 63 and name C ) (resid 64 and name N ) 1.0 -47.0 30 2
!! 64
assign (resid 64 and name N ) (resid 64 and name CA )
(resid 64 and name C ) (resid 65 and name N ) 1.0 -47.0 30 2
!! 65
assign (resid 65 and name N ) (resid 65 and name CA )
(resid 65 and name C ) (resid 66 and name N ) 1.0 -47.0 30 2
!! 66
assign (resid 66 and name N ) (resid 66 and name CA )
(resid 66 and name C ) (resid 67 and name N ) 1.0 -47.0 30 2
!! 67
assign (resid 67 and name N ) (resid 67 and name CA )
(resid 67 and name C ) (resid 68 and name N ) 1.0 -47.0 30 2
!! 68
assign (resid 68 and name N ) (resid 68 and name CA )
(resid 68 and name C ) (resid 69 and name N ) 1.0 -47.0 30 2
!! 69
assign (resid 69 and name N ) (resid 69 and name CA )
(resid 69 and name C ) (resid 70 and name N ) 1.0 -47.0 30 2
!! 70
assign (resid 70 and name N ) (resid 70 and name CA )
(resid 70 and name C ) (resid 71 and name N ) 1.0 -47.0 30 2
!! 71
assign (resid 71 and name N ) (resid 71 and name CA )
(resid 71 and name C ) (resid 72 and name N ) 1.0 -47.0 30 2
!! 72
assign (resid 72 and name N ) (resid 72 and name CA )
(resid 72 and name C ) (resid 73 and name N ) 1.0 -47.0 30 2
!! 73
assign (resid 73 and name N ) (resid 73 and name CA )
(resid 73 and name C ) (resid 74 and name N ) 1.0 -47.0 30 2
!! 74
assign (resid 74 and name N ) (resid 74 and name CA )
(resid 74 and name C ) (resid 75 and name N ) 1.0 -47.0 30 2
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