NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
25873 |
2kct   |
16096 | 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
! Version: 5.1-Exp Compiled 2008-08-11 on (europa)
!
dihedral
assign (resid 52 and name C ) (resid 53 and name N )
(resid 53 and name CA ) (resid 53 and name C ) 1.0 -128.71 30.00 2
assign (resid 53 and name N ) (resid 53 and name CA )
(resid 53 and name C ) (resid 54 and name N ) 1.0 136.09 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 -115.10 30.00 2
assign (resid 54 and name N ) (resid 54 and name CA )
(resid 54 and name C ) (resid 55 and name N ) 1.0 138.49 30.00 2
assign (resid 54 and name C ) (resid 55 and name N )
(resid 55 and name CA ) (resid 55 and name C ) 1.0 -122.27 30.00 2
assign (resid 55 and name N ) (resid 55 and name CA )
(resid 55 and name C ) (resid 56 and name N ) 1.0 143.42 30.00 2
assign (resid 55 and name C ) (resid 56 and name N )
(resid 56 and name CA ) (resid 56 and name C ) 1.0 -126.74 30.00 2
assign (resid 56 and name N ) (resid 56 and name CA )
(resid 56 and name C ) (resid 57 and name N ) 1.0 139.28 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 -115.48 30.00 2
assign (resid 58 and name N ) (resid 58 and name CA )
(resid 58 and name C ) (resid 59 and name N ) 1.0 140.63 30.00 2
assign (resid 58 and name C ) (resid 59 and name N )
(resid 59 and name CA ) (resid 59 and name C ) 1.0 -82.24 30.00 2
assign (resid 59 and name N ) (resid 59 and name CA )
(resid 59 and name C ) (resid 60 and name N ) 1.0 127.68 30.00 2
assign (resid 65 and name C ) (resid 66 and name N )
(resid 66 and name CA ) (resid 66 and name C ) 1.0 -96.31 30.00 2
assign (resid 66 and name N ) (resid 66 and name CA )
(resid 66 and name C ) (resid 67 and name N ) 1.0 132.13 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 -138.76 30.00 2
assign (resid 73 and name N ) (resid 73 and name CA )
(resid 73 and name C ) (resid 74 and name N ) 1.0 143.52 30.00 2
assign (resid 73 and name C ) (resid 74 and name N )
(resid 74 and name CA ) (resid 74 and name C ) 1.0 -123.81 30.00 2
assign (resid 74 and name N ) (resid 74 and name CA )
(resid 74 and name C ) (resid 75 and name N ) 1.0 137.87 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 -134.01 30.00 2
assign (resid 75 and name N ) (resid 75 and name CA )
(resid 75 and name C ) (resid 76 and name N ) 1.0 144.46 30.00 2
assign (resid 75 and name C ) (resid 76 and name N )
(resid 76 and name CA ) (resid 76 and name C ) 1.0 -112.44 30.00 2
assign (resid 76 and name N ) (resid 76 and name CA )
(resid 76 and name C ) (resid 77 and name N ) 1.0 121.92 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 -103.72 30.00 2
assign (resid 77 and name N ) (resid 77 and name CA )
(resid 77 and name C ) (resid 78 and name N ) 1.0 119.19 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 -103.87 30.00 2
assign (resid 78 and name N ) (resid 78 and name CA )
(resid 78 and name C ) (resid 79 and name N ) 1.0 120.51 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 -84.64 30.00 2
assign (resid 79 and name N ) (resid 79 and name CA )
(resid 79 and name C ) (resid 80 and name N ) 1.0 126.98 30.00 2
assign (resid 85 and name C ) (resid 86 and name N )
(resid 86 and name CA ) (resid 86 and name C ) 1.0 -111.45 30.00 2
assign (resid 86 and name N ) (resid 86 and name CA )
(resid 86 and name C ) (resid 87 and name N ) 1.0 133.24 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 -133.69 30.00 2
assign (resid 87 and name N ) (resid 87 and name CA )
(resid 87 and name C ) (resid 88 and name N ) 1.0 141.70 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 -99.15 30.00 2
assign (resid 88 and name N ) (resid 88 and name CA )
(resid 88 and name C ) (resid 89 and name N ) 1.0 129.76 30.00 2
assign (resid 88 and name C ) (resid 89 and name N )
(resid 89 and name CA ) (resid 89 and name C ) 1.0 -119.66 30.00 2
assign (resid 89 and name N ) (resid 89 and name CA )
(resid 89 and name C ) (resid 90 and name N ) 1.0 130.36 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 -124.34 30.00 2
assign (resid 90 and name N ) (resid 90 and name CA )
(resid 90 and name C ) (resid 91 and name N ) 1.0 124.91 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 -114.27 30.00 2
assign (resid 91 and name N ) (resid 91 and name CA )
(resid 91 and name C ) (resid 92 and name N ) 1.0 124.22 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 -104.11 30.00 2
assign (resid 92 and name N ) (resid 92 and name CA )
(resid 92 and name C ) (resid 93 and name N ) 1.0 127.37 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 -85.63 30.00 2
assign (resid 94 and name N ) (resid 94 and name CA )
(resid 94 and name C ) (resid 95 and name N ) 1.0 120.37 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 -111.72 30.00 2
assign (resid 95 and name N ) (resid 95 and name CA )
(resid 95 and name C ) (resid 96 and name N ) 1.0 132.88 30.00 2
assign (resid 96 and name N ) (resid 96 and name CA )
(resid 96 and name C ) (resid 97 and name N ) 1.0 146.62 30.00 2
assign (resid 102 and name C ) (resid 103 and name N )
(resid 103 and name CA ) (resid 103 and name C ) 1.0 -99.84 30.00 2
assign (resid 103 and name N ) (resid 103 and name CA )
(resid 103 and name C ) (resid 104 and name N ) 1.0 144.42 30.00 2
assign (resid 104 and name C ) (resid 105 and name N )
(resid 105 and name CA ) (resid 105 and name C ) 1.0 -136.89 30.00 2
assign (resid 105 and name N ) (resid 105 and name CA )
(resid 105 and name C ) (resid 106 and name N ) 1.0 161.19 30.00 2
assign (resid 105 and name C ) (resid 106 and name N )
(resid 106 and name CA ) (resid 106 and name C ) 1.0 -123.08 30.00 2
assign (resid 106 and name N ) (resid 106 and name CA )
(resid 106 and name C ) (resid 107 and name N ) 1.0 138.31 30.00 2
assign (resid 106 and name C ) (resid 107 and name N )
(resid 107 and name CA ) (resid 107 and name C ) 1.0 -130.28 30.00 2
assign (resid 107 and name N ) (resid 107 and name CA )
(resid 107 and name C ) (resid 108 and name N ) 1.0 157.60 30.00 2
assign (resid 107 and name C ) (resid 108 and name N )
(resid 108 and name CA ) (resid 108 and name C ) 1.0 -126.70 30.00 2
assign (resid 108 and name N ) (resid 108 and name CA )
(resid 108 and name C ) (resid 109 and name N ) 1.0 145.86 30.00 2
assign (resid 110 and name C ) (resid 111 and name N )
(resid 111 and name CA ) (resid 111 and name C ) 1.0 -120.30 30.00 2
assign (resid 111 and name N ) (resid 111 and name CA )
(resid 111 and name C ) (resid 112 and name N ) 1.0 120.15 30.00 2
assign (resid 111 and name C ) (resid 112 and name N )
(resid 112 and name CA ) (resid 112 and name C ) 1.0 -114.21 30.00 2
assign (resid 112 and name N ) (resid 112 and name CA )
(resid 112 and name C ) (resid 113 and name N ) 1.0 137.87 30.00 2
assign (resid 116 and name C ) (resid 117 and name N )
(resid 117 and name CA ) (resid 117 and name C ) 1.0 -100.78 30.00 2
assign (resid 117 and name N ) (resid 117 and name CA )
(resid 117 and name C ) (resid 118 and name N ) 1.0 127.61 30.00 2
assign (resid 117 and name C ) (resid 118 and name N )
(resid 118 and name CA ) (resid 118 and name C ) 1.0 -108.22 30.00 2
assign (resid 118 and name N ) (resid 118 and name CA )
(resid 118 and name C ) (resid 119 and name N ) 1.0 123.28 30.00 2
assign (resid 118 and name C ) (resid 119 and name N )
(resid 119 and name CA ) (resid 119 and name C ) 1.0 -93.37 30.00 2
assign (resid 119 and name N ) (resid 119 and name CA )
(resid 119 and name C ) (resid 120 and name N ) 1.0 125.83 30.00 2
assign (resid 121 and name C ) (resid 122 and name N )
(resid 122 and name CA ) (resid 122 and name C ) 1.0 -155.36 30.00 2
assign (resid 122 and name N ) (resid 122 and name CA )
(resid 122 and name C ) (resid 123 and name N ) 1.0 152.74 30.00 2
assign (resid 122 and name C ) (resid 123 and name N )
(resid 123 and name CA ) (resid 123 and name C ) 1.0 -131.69 30.00 2
assign (resid 123 and name N ) (resid 123 and name CA )
(resid 123 and name C ) (resid 124 and name N ) 1.0 127.38 30.00 2
assign (resid 124 and name C ) (resid 125 and name N )
(resid 125 and name CA ) (resid 125 and name C ) 1.0 -103.92 30.00 2
assign (resid 125 and name N ) (resid 125 and name CA )
(resid 125 and name C ) (resid 126 and name N ) 1.0 138.88 30.00 2
assign (resid 126 and name C ) (resid 127 and name N )
(resid 127 and name CA ) (resid 127 and name C ) 1.0 -94.17 30.00 2
assign (resid 127 and name N ) (resid 127 and name CA )
(resid 127 and name C ) (resid 128 and name N ) 1.0 117.90 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 106 and name N ) (resid 106 and name CA )
(resid 106 and name CB ) (resid 106 and name CG1 ) 1.0 -60.00 20.00 2
assign (resid 106 and name CA ) (resid 106 and name CB )
(resid 106 and name CG1 ) (resid 106 and name CD1 ) 1.0 180.00 20.00 2
assign (resid 107 and name N ) (resid 107 and name CA )
(resid 107 and name CB ) (resid 107 and name CG1 ) 1.0 60.00 20.00 2
assign (resid 107 and name CA ) (resid 107 and name CB )
(resid 107 and name CG1 ) (resid 107 and name CD1 ) 1.0 180.00 20.00 2
end
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