NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
523723 |
2kpn   |
16561 | cing | 1-original | 3 | XPLOR/CNS | dihedral angle |
!
!
! Dihedral angle constraints from TALOS+ (n=10; good); +/- 20 deg
!
! ACO file produced by PDBStat
! Version: 5.1-Exp Compiled 2008-08-11 on (europa)
!
dihedral
assign (resid 7 and name C ) (resid 8 and name N )
(resid 8 and name CA ) (resid 8 and name C ) 1.0 -94.32 20.00 2
assign (resid 8 and name N ) (resid 8 and name CA )
(resid 8 and name C ) (resid 9 and name N ) 1.0 134.11 20.00 2
assign (resid 8 and name C ) (resid 9 and name N )
(resid 9 and name CA ) (resid 9 and name C ) 1.0 -100.97 20.00 2
assign (resid 9 and name N ) (resid 9 and name CA )
(resid 9 and name C ) (resid 10 and name N ) 1.0 115.82 20.00 2
assign (resid 9 and name C ) (resid 10 and name N )
(resid 10 and name CA ) (resid 10 and name C ) 1.0 -74.49 20.00 2
assign (resid 10 and name N ) (resid 10 and name CA )
(resid 10 and name C ) (resid 11 and name N ) 1.0 137.82 20.00 2
assign (resid 11 and name C ) (resid 12 and name N )
(resid 12 and name CA ) (resid 12 and name C ) 1.0 -103.73 20.00 2
assign (resid 12 and name N ) (resid 12 and name CA )
(resid 12 and name C ) (resid 13 and name N ) 1.0 118.18 20.00 2
assign (resid 12 and name C ) (resid 13 and name N )
(resid 13 and name CA ) (resid 13 and name C ) 1.0 -110.27 20.00 2
assign (resid 13 and name N ) (resid 13 and name CA )
(resid 13 and name C ) (resid 14 and name N ) 1.0 126.71 20.00 2
assign (resid 13 and name C ) (resid 14 and name N )
(resid 14 and name CA ) (resid 14 and name C ) 1.0 -106.68 20.00 2
assign (resid 14 and name N ) (resid 14 and name CA )
(resid 14 and name C ) (resid 15 and name N ) 1.0 131.88 20.00 2
assign (resid 14 and name C ) (resid 15 and name N )
(resid 15 and name CA ) (resid 15 and name C ) 1.0 -124.81 20.00 2
assign (resid 15 and name N ) (resid 15 and name CA )
(resid 15 and name C ) (resid 16 and name N ) 1.0 132.58 20.00 2
assign (resid 16 and name N ) (resid 16 and name CA )
(resid 16 and name C ) (resid 17 and name N ) 1.0 142.22 20.00 2
assign (resid 16 and name C ) (resid 17 and name N )
(resid 17 and name CA ) (resid 17 and name C ) 1.0 -84.73 20.00 2
assign (resid 17 and name N ) (resid 17 and name CA )
(resid 17 and name C ) (resid 18 and name N ) 1.0 -29.60 20.00 2
assign (resid 18 and name C ) (resid 19 and name N )
(resid 19 and name CA ) (resid 19 and name C ) 1.0 -136.18 20.00 2
assign (resid 19 and name N ) (resid 19 and name CA )
(resid 19 and name C ) (resid 20 and name N ) 1.0 138.76 20.00 2
assign (resid 19 and name C ) (resid 20 and name N )
(resid 20 and name CA ) (resid 20 and name C ) 1.0 -117.44 20.00 2
assign (resid 20 and name N ) (resid 20 and name CA )
(resid 20 and name C ) (resid 21 and name N ) 1.0 139.58 20.00 2
assign (resid 20 and name C ) (resid 21 and name N )
(resid 21 and name CA ) (resid 21 and name C ) 1.0 -124.61 20.00 2
assign (resid 21 and name N ) (resid 21 and name CA )
(resid 21 and name C ) (resid 22 and name N ) 1.0 156.24 20.00 2
assign (resid 21 and name C ) (resid 22 and name N )
(resid 22 and name CA ) (resid 22 and name C ) 1.0 -114.27 20.00 2
assign (resid 22 and name N ) (resid 22 and name CA )
(resid 22 and name C ) (resid 23 and name N ) 1.0 158.37 20.00 2
assign (resid 22 and name C ) (resid 23 and name N )
(resid 23 and name CA ) (resid 23 and name C ) 1.0 -65.36 20.00 2
assign (resid 23 and name N ) (resid 23 and name CA )
(resid 23 and name C ) (resid 24 and name N ) 1.0 132.54 20.00 2
assign (resid 26 and name C ) (resid 27 and name N )
(resid 27 and name CA ) (resid 27 and name C ) 1.0 -138.68 20.00 2
assign (resid 27 and name N ) (resid 27 and name CA )
(resid 27 and name C ) (resid 28 and name N ) 1.0 132.39 20.00 2
assign (resid 27 and name C ) (resid 28 and name N )
(resid 28 and name CA ) (resid 28 and name C ) 1.0 -104.63 20.00 2
assign (resid 28 and name N ) (resid 28 and name CA )
(resid 28 and name C ) (resid 29 and name N ) 1.0 113.27 20.00 2
assign (resid 29 and name N ) (resid 29 and name CA )
(resid 29 and name C ) (resid 30 and name N ) 1.0 -29.96 20.00 2
assign (resid 29 and name C ) (resid 30 and name N )
(resid 30 and name CA ) (resid 30 and name C ) 1.0 -99.55 20.00 2
assign (resid 30 and name N ) (resid 30 and name CA )
(resid 30 and name C ) (resid 31 and name N ) 1.0 8.35 20.00 2
assign (resid 32 and name C ) (resid 33 and name N )
(resid 33 and name CA ) (resid 33 and name C ) 1.0 -104.98 20.00 2
assign (resid 33 and name N ) (resid 33 and name CA )
(resid 33 and name C ) (resid 34 and name N ) 1.0 145.30 20.00 2
assign (resid 33 and name C ) (resid 34 and name N )
(resid 34 and name CA ) (resid 34 and name C ) 1.0 -130.96 20.00 2
assign (resid 34 and name N ) (resid 34 and name CA )
(resid 34 and name C ) (resid 35 and name N ) 1.0 147.74 20.00 2
assign (resid 34 and name C ) (resid 35 and name N )
(resid 35 and name CA ) (resid 35 and name C ) 1.0 -135.72 20.00 2
assign (resid 35 and name N ) (resid 35 and name CA )
(resid 35 and name C ) (resid 36 and name N ) 1.0 143.24 20.00 2
assign (resid 35 and name C ) (resid 36 and name N )
(resid 36 and name CA ) (resid 36 and name C ) 1.0 -123.21 20.00 2
assign (resid 36 and name N ) (resid 36 and name CA )
(resid 36 and name C ) (resid 37 and name N ) 1.0 128.78 20.00 2
assign (resid 36 and name C ) (resid 37 and name N )
(resid 37 and name CA ) (resid 37 and name C ) 1.0 -115.71 20.00 2
assign (resid 37 and name N ) (resid 37 and name CA )
(resid 37 and name C ) (resid 38 and name N ) 1.0 129.05 20.00 2
assign (resid 37 and name C ) (resid 38 and name N )
(resid 38 and name CA ) (resid 38 and name C ) 1.0 -57.13 20.00 2
assign (resid 38 and name N ) (resid 38 and name CA )
(resid 38 and name C ) (resid 39 and name N ) 1.0 -39.99 20.00 2
assign (resid 38 and name C ) (resid 39 and name N )
(resid 39 and name CA ) (resid 39 and name C ) 1.0 -62.32 20.00 2
assign (resid 39 and name N ) (resid 39 and name CA )
(resid 39 and name C ) (resid 40 and name N ) 1.0 -33.39 20.00 2
assign (resid 39 and name C ) (resid 40 and name N )
(resid 40 and name CA ) (resid 40 and name C ) 1.0 -74.81 20.00 2
assign (resid 40 and name N ) (resid 40 and name CA )
(resid 40 and name C ) (resid 41 and name N ) 1.0 -28.50 20.00 2
assign (resid 41 and name C ) (resid 42 and name N )
(resid 42 and name CA ) (resid 42 and name C ) 1.0 -76.35 20.00 2
assign (resid 42 and name N ) (resid 42 and name CA )
(resid 42 and name C ) (resid 43 and name N ) 1.0 124.90 20.00 2
assign (resid 43 and name C ) (resid 44 and name N )
(resid 44 and name CA ) (resid 44 and name C ) 1.0 -59.76 20.00 2
assign (resid 44 and name N ) (resid 44 and name CA )
(resid 44 and name C ) (resid 45 and name N ) 1.0 -33.21 20.00 2
assign (resid 44 and name C ) (resid 45 and name N )
(resid 45 and name CA ) (resid 45 and name C ) 1.0 -68.71 20.00 2
assign (resid 45 and name N ) (resid 45 and name CA )
(resid 45 and name C ) (resid 46 and name N ) 1.0 -16.94 20.00 2
assign (resid 45 and name C ) (resid 46 and name N )
(resid 46 and name CA ) (resid 46 and name C ) 1.0 -97.84 20.00 2
assign (resid 46 and name N ) (resid 46 and name CA )
(resid 46 and name C ) (resid 47 and name N ) 1.0 -0.68 20.00 2
assign (resid 46 and name C ) (resid 47 and name N )
(resid 47 and name CA ) (resid 47 and name C ) 1.0 -80.83 20.00 2
assign (resid 47 and name N ) (resid 47 and name CA )
(resid 47 and name C ) (resid 48 and name N ) 1.0 133.27 20.00 2
assign (resid 47 and name C ) (resid 48 and name N )
(resid 48 and name CA ) (resid 48 and name C ) 1.0 -105.17 20.00 2
assign (resid 48 and name N ) (resid 48 and name CA )
(resid 48 and name C ) (resid 49 and name N ) 1.0 130.75 20.00 2
assign (resid 48 and name C ) (resid 49 and name N )
(resid 49 and name CA ) (resid 49 and name C ) 1.0 -116.55 20.00 2
assign (resid 49 and name N ) (resid 49 and name CA )
(resid 49 and name C ) (resid 50 and name N ) 1.0 126.08 20.00 2
assign (resid 49 and name C ) (resid 50 and name N )
(resid 50 and name CA ) (resid 50 and name C ) 1.0 -120.45 20.00 2
assign (resid 50 and name N ) (resid 50 and name CA )
(resid 50 and name C ) (resid 51 and name N ) 1.0 138.51 20.00 2
assign (resid 51 and name C ) (resid 52 and name N )
(resid 52 and name CA ) (resid 52 and name C ) 1.0 -147.76 20.00 2
assign (resid 52 and name N ) (resid 52 and name CA )
(resid 52 and name C ) (resid 53 and name N ) 1.0 151.00 20.00 2
assign (resid 52 and name C ) (resid 53 and name N )
(resid 53 and name CA ) (resid 53 and name C ) 1.0 -105.93 20.00 2
assign (resid 53 and name N ) (resid 53 and name CA )
(resid 53 and name C ) (resid 54 and name N ) 1.0 132.00 20.00 2
assign (resid 53 and name C ) (resid 54 and name N )
(resid 54 and name CA ) (resid 54 and name C ) 1.0 -89.19 20.00 2
assign (resid 54 and name N ) (resid 54 and name CA )
(resid 54 and name C ) (resid 55 and name N ) 1.0 157.58 20.00 2
assign (resid 55 and name C ) (resid 56 and name N )
(resid 56 and name CA ) (resid 56 and name C ) 1.0 -95.28 20.00 2
assign (resid 56 and name N ) (resid 56 and name CA )
(resid 56 and name C ) (resid 57 and name N ) 1.0 -7.35 20.00 2
assign (resid 56 and name C ) (resid 57 and name N )
(resid 57 and name CA ) (resid 57 and name C ) 1.0 -123.77 20.00 2
assign (resid 57 and name N ) (resid 57 and name CA )
(resid 57 and name C ) (resid 58 and name N ) 1.0 141.34 20.00 2
assign (resid 57 and name C ) (resid 58 and name N )
(resid 58 and name CA ) (resid 58 and name C ) 1.0 -90.39 20.00 2
assign (resid 58 and name N ) (resid 58 and name CA )
(resid 58 and name C ) (resid 59 and name N ) 1.0 123.78 20.00 2
assign (resid 59 and name C ) (resid 60 and name N )
(resid 60 and name CA ) (resid 60 and name C ) 1.0 -103.30 20.00 2
assign (resid 60 and name N ) (resid 60 and name CA )
(resid 60 and name C ) (resid 61 and name N ) 1.0 143.43 20.00 2
assign (resid 60 and name C ) (resid 61 and name N )
(resid 61 and name CA ) (resid 61 and name C ) 1.0 -118.48 20.00 2
assign (resid 61 and name N ) (resid 61 and name CA )
(resid 61 and name C ) (resid 62 and name N ) 1.0 129.98 20.00 2
assign (resid 61 and name C ) (resid 62 and name N )
(resid 62 and name CA ) (resid 62 and name C ) 1.0 -109.65 20.00 2
assign (resid 62 and name N ) (resid 62 and name CA )
(resid 62 and name C ) (resid 63 and name N ) 1.0 122.27 20.00 2
assign (resid 62 and name C ) (resid 63 and name N )
(resid 63 and name CA ) (resid 63 and name C ) 1.0 -108.90 20.00 2
assign (resid 63 and name N ) (resid 63 and name CA )
(resid 63 and name C ) (resid 64 and name N ) 1.0 133.87 20.00 2
assign (resid 63 and name C ) (resid 64 and name N )
(resid 64 and name CA ) (resid 64 and name C ) 1.0 -110.02 20.00 2
assign (resid 64 and name N ) (resid 64 and name CA )
(resid 64 and name C ) (resid 65 and name N ) 1.0 124.95 20.00 2
assign (resid 64 and name C ) (resid 65 and name N )
(resid 65 and name CA ) (resid 65 and name C ) 1.0 -114.59 20.00 2
assign (resid 65 and name N ) (resid 65 and name CA )
(resid 65 and name C ) (resid 66 and name N ) 1.0 134.04 20.00 2
assign (resid 65 and name C ) (resid 66 and name N )
(resid 66 and name CA ) (resid 66 and name C ) 1.0 -126.03 20.00 2
assign (resid 66 and name N ) (resid 66 and name CA )
(resid 66 and name C ) (resid 67 and name N ) 1.0 143.25 20.00 2
assign (resid 66 and name C ) (resid 67 and name N )
(resid 67 and name CA ) (resid 67 and name C ) 1.0 -130.03 20.00 2
assign (resid 67 and name N ) (resid 67 and name CA )
(resid 67 and name C ) (resid 68 and name N ) 1.0 139.06 20.00 2
assign (resid 67 and name C ) (resid 68 and name N )
(resid 68 and name CA ) (resid 68 and name C ) 1.0 -112.90 20.00 2
assign (resid 68 and name N ) (resid 68 and name CA )
(resid 68 and name C ) (resid 69 and name N ) 1.0 125.38 20.00 2
assign (resid 68 and name C ) (resid 69 and name N )
(resid 69 and name CA ) (resid 69 and name C ) 1.0 -94.12 20.00 2
assign (resid 69 and name N ) (resid 69 and name CA )
(resid 69 and name C ) (resid 70 and name N ) 1.0 171.66 20.00 2
assign (resid 69 and name C ) (resid 70 and name N )
(resid 70 and name CA ) (resid 70 and name C ) 1.0 -61.62 20.00 2
assign (resid 70 and name N ) (resid 70 and name CA )
(resid 70 and name C ) (resid 71 and name N ) 1.0 -19.99 20.00 2
assign (resid 70 and name C ) (resid 71 and name N )
(resid 71 and name CA ) (resid 71 and name C ) 1.0 -87.77 20.00 2
assign (resid 71 and name N ) (resid 71 and name CA )
(resid 71 and name C ) (resid 72 and name N ) 1.0 6.86 20.00 2
assign (resid 71 and name C ) (resid 72 and name N )
(resid 72 and name CA ) (resid 72 and name C ) 1.0 91.98 20.00 2
assign (resid 72 and name N ) (resid 72 and name CA )
(resid 72 and name C ) (resid 73 and name N ) 1.0 14.69 20.00 2
assign (resid 72 and name C ) (resid 73 and name N )
(resid 73 and name CA ) (resid 73 and name C ) 1.0 -88.78 20.00 2
assign (resid 73 and name N ) (resid 73 and name CA )
(resid 73 and name C ) (resid 74 and name N ) 1.0 117.85 20.00 2
assign (resid 73 and name C ) (resid 74 and name N )
(resid 74 and name CA ) (resid 74 and name C ) 1.0 -113.55 20.00 2
assign (resid 74 and name N ) (resid 74 and name CA )
(resid 74 and name C ) (resid 75 and name N ) 1.0 126.07 20.00 2
assign (resid 74 and name C ) (resid 75 and name N )
(resid 75 and name CA ) (resid 75 and name C ) 1.0 -123.07 20.00 2
assign (resid 75 and name N ) (resid 75 and name CA )
(resid 75 and name C ) (resid 76 and name N ) 1.0 149.59 20.00 2
assign (resid 75 and name C ) (resid 76 and name N )
(resid 76 and name CA ) (resid 76 and name C ) 1.0 -132.28 20.00 2
assign (resid 76 and name N ) (resid 76 and name CA )
(resid 76 and name C ) (resid 77 and name N ) 1.0 149.64 20.00 2
assign (resid 76 and name C ) (resid 77 and name N )
(resid 77 and name CA ) (resid 77 and name C ) 1.0 -127.80 20.00 2
assign (resid 77 and name N ) (resid 77 and name CA )
(resid 77 and name C ) (resid 78 and name N ) 1.0 141.21 20.00 2
assign (resid 77 and name C ) (resid 78 and name N )
(resid 78 and name CA ) (resid 78 and name C ) 1.0 -125.28 20.00 2
assign (resid 78 and name N ) (resid 78 and name CA )
(resid 78 and name C ) (resid 79 and name N ) 1.0 144.88 20.00 2
assign (resid 78 and name C ) (resid 79 and name N )
(resid 79 and name CA ) (resid 79 and name C ) 1.0 -151.03 20.00 2
assign (resid 79 and name N ) (resid 79 and name CA )
(resid 79 and name C ) (resid 80 and name N ) 1.0 138.29 20.00 2
assign (resid 79 and name C ) (resid 80 and name N )
(resid 80 and name CA ) (resid 80 and name C ) 1.0 -99.00 20.00 2
assign (resid 80 and name N ) (resid 80 and name CA )
(resid 80 and name C ) (resid 81 and name N ) 1.0 124.67 20.00 2
assign (resid 80 and name C ) (resid 81 and name N )
(resid 81 and name CA ) (resid 81 and name C ) 1.0 -117.09 20.00 2
assign (resid 81 and name N ) (resid 81 and name CA )
(resid 81 and name C ) (resid 82 and name N ) 1.0 120.76 20.00 2
assign (resid 81 and name C ) (resid 82 and name N )
(resid 82 and name CA ) (resid 82 and name C ) 1.0 -114.82 20.00 2
assign (resid 82 and name N ) (resid 82 and name CA )
(resid 82 and name C ) (resid 83 and name N ) 1.0 121.23 20.00 2
assign (resid 82 and name C ) (resid 83 and name N )
(resid 83 and name CA ) (resid 83 and name C ) 1.0 -113.32 20.00 2
assign (resid 83 and name N ) (resid 83 and name CA )
(resid 83 and name C ) (resid 84 and name N ) 1.0 121.59 20.00 2
assign (resid 83 and name C ) (resid 84 and name N )
(resid 84 and name CA ) (resid 84 and name C ) 1.0 -123.45 20.00 2
assign (resid 84 and name N ) (resid 84 and name CA )
(resid 84 and name C ) (resid 85 and name N ) 1.0 155.41 20.00 2
assign (resid 84 and name C ) (resid 85 and name N )
(resid 85 and name CA ) (resid 85 and name C ) 1.0 -85.37 20.00 2
assign (resid 85 and name N ) (resid 85 and name CA )
(resid 85 and name C ) (resid 86 and name N ) 1.0 142.27 20.00 2
! additional constraints to fix bad rotamers (based on Procheck and MolProbity)
assign (resid 40 and name N ) (resid 40 and name CA )
(resid 40 and name CB ) (resid 40 and name CG ) 1.0 180.00 20.00 2
assign (resid 38 and name CA ) (resid 38 and name CB )
(resid 38 and name CG ) (resid 38 and name CD ) 1.0 180.00 20.00 2
end
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