NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
26356 |
2kim   |
16283 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
!
! Dihedral angle constraints from TALOS (+/- 30 deg; n=10; secondary structure only).
! ACO file produced by PDBStat
!
!
! ACO file produced by PDBStat
! Version: 5.0-Exp Compiled 2007-07-09 on (europa)
!
dihedral
assign (resid 3 and name C ) (resid 4 and name N )
(resid 4 and name CA ) (resid 4 and name C ) 1.0 -61.98 30.00 2
assign (resid 4 and name N ) (resid 4 and name CA )
(resid 4 and name C ) (resid 5 and name N ) 1.0 -35.97 30.00 2
assign (resid 4 and name C ) (resid 5 and name N )
(resid 5 and name CA ) (resid 5 and name C ) 1.0 -63.03 30.00 2
assign (resid 5 and name N ) (resid 5 and name CA )
(resid 5 and name C ) (resid 6 and name N ) 1.0 -37.58 30.00 2
assign (resid 5 and name C ) (resid 6 and name N )
(resid 6 and name CA ) (resid 6 and name C ) 1.0 -61.44 30.00 2
assign (resid 6 and name N ) (resid 6 and name CA )
(resid 6 and name C ) (resid 7 and name N ) 1.0 -39.62 30.00 2
assign (resid 7 and name C ) (resid 8 and name N )
(resid 8 and name CA ) (resid 8 and name C ) 1.0 -60.50 30.00 2
assign (resid 8 and name N ) (resid 8 and name CA )
(resid 8 and name C ) (resid 9 and name N ) 1.0 -39.08 30.00 2
assign (resid 8 and name C ) (resid 9 and name N )
(resid 9 and name CA ) (resid 9 and name C ) 1.0 -66.94 30.00 2
assign (resid 9 and name N ) (resid 9 and name CA )
(resid 9 and name C ) (resid 10 and name N ) 1.0 -40.41 30.00 2
assign (resid 9 and name C ) (resid 10 and name N )
(resid 10 and name CA ) (resid 10 and name C ) 1.0 -60.67 30.00 2
assign (resid 10 and name N ) (resid 10 and name CA )
(resid 10 and name C ) (resid 11 and name N ) 1.0 -41.39 30.00 2
assign (resid 10 and name C ) (resid 11 and name N )
(resid 11 and name CA ) (resid 11 and name C ) 1.0 -67.65 30.00 2
assign (resid 11 and name N ) (resid 11 and name CA )
(resid 11 and name C ) (resid 12 and name N ) 1.0 -44.38 30.00 2
assign (resid 11 and name C ) (resid 12 and name N )
(resid 12 and name CA ) (resid 12 and name C ) 1.0 -66.52 30.00 2
assign (resid 12 and name N ) (resid 12 and name CA )
(resid 12 and name C ) (resid 13 and name N ) 1.0 -40.34 30.00 2
assign (resid 12 and name C ) (resid 13 and name N )
(resid 13 and name CA ) (resid 13 and name C ) 1.0 -63.55 30.00 2
assign (resid 13 and name N ) (resid 13 and name CA )
(resid 13 and name C ) (resid 14 and name N ) 1.0 -40.57 30.00 2
assign (resid 19 and name C ) (resid 20 and name N )
(resid 20 and name CA ) (resid 20 and name C ) 1.0 -119.80 30.00 2
assign (resid 20 and name N ) (resid 20 and name CA )
(resid 20 and name C ) (resid 21 and name N ) 1.0 154.26 30.00 2
assign (resid 21 and name C ) (resid 22 and name N )
(resid 22 and name CA ) (resid 22 and name C ) 1.0 -102.39 30.00 2
assign (resid 22 and name N ) (resid 22 and name CA )
(resid 22 and name C ) (resid 23 and name N ) 1.0 169.50 30.00 2
assign (resid 22 and name C ) (resid 23 and name N )
(resid 23 and name CA ) (resid 23 and name C ) 1.0 -60.88 30.00 2
assign (resid 23 and name N ) (resid 23 and name CA )
(resid 23 and name C ) (resid 24 and name N ) 1.0 -41.93 30.00 2
assign (resid 23 and name C ) (resid 24 and name N )
(resid 24 and name CA ) (resid 24 and name C ) 1.0 -63.82 30.00 2
assign (resid 24 and name N ) (resid 24 and name CA )
(resid 24 and name C ) (resid 25 and name N ) 1.0 -41.89 30.00 2
assign (resid 24 and name C ) (resid 25 and name N )
(resid 25 and name CA ) (resid 25 and name C ) 1.0 -64.04 30.00 2
assign (resid 25 and name N ) (resid 25 and name CA )
(resid 25 and name C ) (resid 26 and name N ) 1.0 -43.12 30.00 2
assign (resid 25 and name C ) (resid 26 and name N )
(resid 26 and name CA ) (resid 26 and name C ) 1.0 -67.82 30.00 2
assign (resid 26 and name N ) (resid 26 and name CA )
(resid 26 and name C ) (resid 27 and name N ) 1.0 -41.11 30.00 2
assign (resid 26 and name C ) (resid 27 and name N )
(resid 27 and name CA ) (resid 27 and name C ) 1.0 -61.08 30.00 2
assign (resid 27 and name N ) (resid 27 and name CA )
(resid 27 and name C ) (resid 28 and name N ) 1.0 -41.53 30.00 2
assign (resid 27 and name C ) (resid 28 and name N )
(resid 28 and name CA ) (resid 28 and name C ) 1.0 -64.65 30.00 2
assign (resid 28 and name N ) (resid 28 and name CA )
(resid 28 and name C ) (resid 29 and name N ) 1.0 -44.22 30.00 2
assign (resid 28 and name C ) (resid 29 and name N )
(resid 29 and name CA ) (resid 29 and name C ) 1.0 -64.44 30.00 2
assign (resid 29 and name N ) (resid 29 and name CA )
(resid 29 and name C ) (resid 30 and name N ) 1.0 -30.97 30.00 2
assign (resid 29 and name C ) (resid 30 and name N )
(resid 30 and name CA ) (resid 30 and name C ) 1.0 -90.73 30.00 2
assign (resid 30 and name N ) (resid 30 and name CA )
(resid 30 and name C ) (resid 31 and name N ) 1.0 -0.45 30.00 2
assign (resid 35 and name C ) (resid 36 and name N )
(resid 36 and name CA ) (resid 36 and name C ) 1.0 -60.70 30.00 2
assign (resid 36 and name N ) (resid 36 and name CA )
(resid 36 and name C ) (resid 37 and name N ) 1.0 -43.71 30.00 2
assign (resid 36 and name C ) (resid 37 and name N )
(resid 37 and name CA ) (resid 37 and name C ) 1.0 -62.98 30.00 2
assign (resid 37 and name N ) (resid 37 and name CA )
(resid 37 and name C ) (resid 38 and name N ) 1.0 -40.47 30.00 2
assign (resid 37 and name C ) (resid 38 and name N )
(resid 38 and name CA ) (resid 38 and name C ) 1.0 -63.37 30.00 2
assign (resid 38 and name N ) (resid 38 and name CA )
(resid 38 and name C ) (resid 39 and name N ) 1.0 -43.87 30.00 2
assign (resid 38 and name C ) (resid 39 and name N )
(resid 39 and name CA ) (resid 39 and name C ) 1.0 -64.70 30.00 2
assign (resid 39 and name N ) (resid 39 and name CA )
(resid 39 and name C ) (resid 40 and name N ) 1.0 -44.17 30.00 2
assign (resid 39 and name C ) (resid 40 and name N )
(resid 40 and name CA ) (resid 40 and name C ) 1.0 -67.55 30.00 2
assign (resid 40 and name N ) (resid 40 and name CA )
(resid 40 and name C ) (resid 41 and name N ) 1.0 -39.55 30.00 2
assign (resid 40 and name C ) (resid 41 and name N )
(resid 41 and name CA ) (resid 41 and name C ) 1.0 -62.55 30.00 2
assign (resid 41 and name N ) (resid 41 and name CA )
(resid 41 and name C ) (resid 42 and name N ) 1.0 -43.22 30.00 2
assign (resid 41 and name C ) (resid 42 and name N )
(resid 42 and name CA ) (resid 42 and name C ) 1.0 -64.20 30.00 2
assign (resid 42 and name N ) (resid 42 and name CA )
(resid 42 and name C ) (resid 43 and name N ) 1.0 -39.79 30.00 2
assign (resid 42 and name C ) (resid 43 and name N )
(resid 43 and name CA ) (resid 43 and name C ) 1.0 -75.53 30.00 2
assign (resid 43 and name N ) (resid 43 and name CA )
(resid 43 and name C ) (resid 44 and name N ) 1.0 -24.85 30.00 2
assign (resid 53 and name C ) (resid 54 and name N )
(resid 54 and name CA ) (resid 54 and name C ) 1.0 -83.44 30.00 2
assign (resid 54 and name N ) (resid 54 and name CA )
(resid 54 and name C ) (resid 55 and name N ) 1.0 -21.78 30.00 2
assign (resid 57 and name C ) (resid 58 and name N )
(resid 58 and name CA ) (resid 58 and name C ) 1.0 -123.18 30.00 2
assign (resid 58 and name N ) (resid 58 and name CA )
(resid 58 and name C ) (resid 59 and name N ) 1.0 169.72 20.00 2
assign (resid 58 and name C ) (resid 59 and name N )
(resid 59 and name CA ) (resid 59 and name C ) 1.0 -88.10 30.00 2
assign (resid 59 and name N ) (resid 59 and name CA )
(resid 59 and name C ) (resid 60 and name N ) 1.0 165.50 30.00 2
assign (resid 62 and name C ) (resid 63 and name N )
(resid 63 and name CA ) (resid 63 and name C ) 1.0 -120.21 30.00 2
assign (resid 63 and name N ) (resid 63 and name CA )
(resid 63 and name C ) (resid 64 and name N ) 1.0 143.12 30.00 2
assign (resid 63 and name C ) (resid 64 and name N )
(resid 64 and name CA ) (resid 64 and name C ) 1.0 -81.62 30.00 2
assign (resid 64 and name N ) (resid 64 and name CA )
(resid 64 and name C ) (resid 65 and name N ) 1.0 127.79 30.00 2
assign (resid 68 and name C ) (resid 69 and name N )
(resid 69 and name CA ) (resid 69 and name C ) 1.0 -60.01 30.00 2
assign (resid 69 and name N ) (resid 69 and name CA )
(resid 69 and name C ) (resid 70 and name N ) 1.0 -44.49 30.00 2
assign (resid 69 and name C ) (resid 70 and name N )
(resid 70 and name CA ) (resid 70 and name C ) 1.0 -62.83 30.00 2
assign (resid 70 and name N ) (resid 70 and name CA )
(resid 70 and name C ) (resid 71 and name N ) 1.0 -42.48 30.00 2
assign (resid 70 and name C ) (resid 71 and name N )
(resid 71 and name CA ) (resid 71 and name C ) 1.0 -62.77 30.00 2
assign (resid 71 and name N ) (resid 71 and name CA )
(resid 71 and name C ) (resid 72 and name N ) 1.0 -42.46 30.00 2
assign (resid 71 and name C ) (resid 72 and name N )
(resid 72 and name CA ) (resid 72 and name C ) 1.0 -60.36 30.00 2
assign (resid 72 and name N ) (resid 72 and name CA )
(resid 72 and name C ) (resid 73 and name N ) 1.0 -41.49 30.00 2
assign (resid 72 and name C ) (resid 73 and name N )
(resid 73 and name CA ) (resid 73 and name C ) 1.0 -61.65 30.00 2
assign (resid 73 and name N ) (resid 73 and name CA )
(resid 73 and name C ) (resid 74 and name N ) 1.0 -43.97 30.00 2
assign (resid 74 and name C ) (resid 75 and name N )
(resid 75 and name CA ) (resid 75 and name C ) 1.0 -59.18 30.00 2
assign (resid 75 and name N ) (resid 75 and name CA )
(resid 75 and name C ) (resid 76 and name N ) 1.0 -46.55 30.00 2
assign (resid 76 and name C ) (resid 77 and name N )
(resid 77 and name CA ) (resid 77 and name C ) 1.0 -57.33 30.00 2
assign (resid 77 and name N ) (resid 77 and name CA )
(resid 77 and name C ) (resid 78 and name N ) 1.0 -44.12 30.00 2
assign (resid 77 and name C ) (resid 78 and name N )
(resid 78 and name CA ) (resid 78 and name C ) 1.0 -61.75 30.00 2
assign (resid 78 and name N ) (resid 78 and name CA )
(resid 78 and name C ) (resid 79 and name N ) 1.0 -39.82 30.00 2
assign (resid 78 and name C ) (resid 79 and name N )
(resid 79 and name CA ) (resid 79 and name C ) 1.0 -65.38 30.00 2
assign (resid 79 and name N ) (resid 79 and name CA )
(resid 79 and name C ) (resid 80 and name N ) 1.0 -40.56 30.00 2
assign (resid 79 and name C ) (resid 80 and name N )
(resid 80 and name CA ) (resid 80 and name C ) 1.0 -66.54 30.00 2
assign (resid 80 and name N ) (resid 80 and name CA )
(resid 80 and name C ) (resid 81 and name N ) 1.0 -23.41 30.00 2
assign (resid 80 and name C ) (resid 81 and name N )
(resid 81 and name CA ) (resid 81 and name C ) 1.0 -90.57 30.00 2
assign (resid 81 and name N ) (resid 81 and name CA )
(resid 81 and name C ) (resid 82 and name N ) 1.0 4.13 30.00 2
assign (resid 83 and name C ) (resid 84 and name N )
(resid 84 and name CA ) (resid 84 and name C ) 1.0 -97.75 30.00 2
assign (resid 84 and name N ) (resid 84 and name CA )
(resid 84 and name C ) (resid 85 and name N ) 1.0 121.98 30.00 2
assign (resid 86 and name C ) (resid 87 and name N )
(resid 87 and name CA ) (resid 87 and name C ) 1.0 -64.96 30.00 2
assign (resid 87 and name N ) (resid 87 and name CA )
(resid 87 and name C ) (resid 88 and name N ) 1.0 -26.13 30.00 2
assign (resid 87 and name C ) (resid 88 and name N )
(resid 88 and name CA ) (resid 88 and name C ) 1.0 -96.57 30.00 2
assign (resid 88 and name N ) (resid 88 and name CA )
(resid 88 and name C ) (resid 89 and name N ) 1.0 -0.83 30.00 2
assign (resid 89 and name C ) (resid 90 and name N )
(resid 90 and name CA ) (resid 90 and name C ) 1.0 -112.82 30.00 2
assign (resid 90 and name N ) (resid 90 and name CA )
(resid 90 and name C ) (resid 91 and name N ) 1.0 127.53 30.00 2
assign (resid 90 and name C ) (resid 91 and name N )
(resid 91 and name CA ) (resid 91 and name C ) 1.0 -123.81 30.00 2
assign (resid 91 and name N ) (resid 91 and name CA )
(resid 91 and name C ) (resid 92 and name N ) 1.0 131.36 30.00 2
assign (resid 91 and name C ) (resid 92 and name N )
(resid 92 and name CA ) (resid 92 and name C ) 1.0 -70.60 30.00 2
assign (resid 92 and name N ) (resid 92 and name CA )
(resid 92 and name C ) (resid 93 and name N ) 1.0 124.09 30.00 2
assign (resid 92 and name C ) (resid 93 and name N )
(resid 93 and name CA ) (resid 93 and name C ) 1.0 -56.53 30.00 2
assign (resid 93 and name N ) (resid 93 and name CA )
(resid 93 and name C ) (resid 94 and name N ) 1.0 -31.83 30.00 2
assign (resid 93 and name C ) (resid 94 and name N )
(resid 94 and name CA ) (resid 94 and name C ) 1.0 -66.77 30.00 2
assign (resid 94 and name N ) (resid 94 and name CA )
(resid 94 and name C ) (resid 95 and name N ) 1.0 -26.95 30.00 2
assign (resid 94 and name C ) (resid 95 and name N )
(resid 95 and name CA ) (resid 95 and name C ) 1.0 -82.46 30.00 2
assign (resid 95 and name N ) (resid 95 and name CA )
(resid 95 and name C ) (resid 96 and name N ) 1.0 -34.16 30.00 2
assign (resid 95 and name C ) (resid 96 and name N )
(resid 96 and name CA ) (resid 96 and name C ) 1.0 -97.30 30.00 2
assign (resid 96 and name N ) (resid 96 and name CA )
(resid 96 and name C ) (resid 97 and name N ) 1.0 -16.35 30.00 2
assign (resid 96 and name C ) (resid 97 and name N )
(resid 97 and name CA ) (resid 97 and name C ) 1.0 -84.54 30.00 2
assign (resid 97 and name N ) (resid 97 and name CA )
(resid 97 and name C ) (resid 98 and name N ) 1.0 125.61 30.00 2
assign (resid 53 and name N ) (resid 53 and name CA )
(resid 53 and name C ) (resid 54 and name N ) 1.0 128.94 30.00 2
!
! additional chi1/chi2 for favourable rotamers (selected residues in secondary structural elements only)
! applied at final stage of structure refinement
!
assign (resid 88 and name N ) (resid 88 and name CA )
(resid 88 and name CB ) (resid 88 and name CG1 ) 1.0 50.00 10.00 2
assign (resid 88 and name CA ) (resid 88 and name CB )
(resid 88 and name CG1 ) (resid 88 and name CD1 ) 1.0 180.00 20.00 2
assign (resid 95 and name CA ) (resid 95 and name CB )
(resid 95 and name CG ) (resid 95 and name CD ) 1.0 180.00 20.00 2
assign (resid 81 and name N ) (resid 81 and name CA )
(resid 81 and name CB ) (resid 81 and name CG ) 1.0 -60.00 20.00 2
assign (resid 77 and name CA ) (resid 77 and name CB )
(resid 77 and name CG ) (resid 77 and name CD ) 1.0 -60.00 20.00 2
assign (resid 19 and name CA ) (resid 19 and name CB )
(resid 19 and name CG ) (resid 19 and name CD ) 1.0 -60.00 20.00 2
assign (resid 91 and name N ) (resid 91 and name CA )
(resid 91 and name CB ) (resid 91 and name CG1 ) 1.0 -60.00 20.00 2
assign (resid 91 and name CA ) (resid 91 and name CB )
(resid 91 and name CG1 ) (resid 91 and name CD1 ) 1.0 180.00 20.00 2
end
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