NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24882 | 2k5d | 15829 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
! Dihedral angle constraints from Talos (+/- 30 deg) ! ! ACO file produced by PDBStat ! Version: 5.0-Exp Compiled 2007-07-09 on (europa) ! dihedral assign (resid 17 and name C ) (resid 18 and name N ) (resid 18 and name CA ) (resid 18 and name C ) 1.0 -73.54 30.00 2 assign (resid 18 and name N ) (resid 18 and name CA ) (resid 18 and name C ) (resid 19 and name N ) 1.0 139.48 30.00 2 assign (resid 18 and name C ) (resid 19 and name N ) (resid 19 and name CA ) (resid 19 and name C ) 1.0 -103.86 30.00 2 assign (resid 19 and name N ) (resid 19 and name CA ) (resid 19 and name C ) (resid 20 and name N ) 1.0 139.77 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 -132.69 30.00 2 assign (resid 20 and name N ) (resid 20 and name CA ) (resid 20 and name C ) (resid 21 and name N ) 1.0 135.89 30.00 2 assign (resid 20 and name C ) (resid 21 and name N ) (resid 21 and name CA ) (resid 21 and name C ) 1.0 -81.49 30.00 2 assign (resid 21 and name N ) (resid 21 and name CA ) (resid 21 and name C ) (resid 22 and name N ) 1.0 131.11 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 -75.82 30.00 2 assign (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) (resid 25 and name N ) 1.0 130.08 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 -146.46 30.00 2 assign (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name C ) (resid 27 and name N ) 1.0 154.83 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 -106.62 30.00 2 assign (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) (resid 28 and name N ) 1.0 129.19 30.00 2 assign (resid 31 and name C ) (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name C ) 1.0 -83.04 30.00 2 assign (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name C ) (resid 33 and name N ) 1.0 146.62 30.00 2 assign (resid 32 and name C ) (resid 33 and name N ) (resid 33 and name CA ) (resid 33 and name C ) 1.0 -60.38 30.00 2 assign (resid 33 and name N ) (resid 33 and name CA ) (resid 33 and name C ) (resid 34 and name N ) 1.0 -26.18 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 -158.55 30.00 2 assign (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) (resid 44 and name N ) 1.0 155.36 30.00 2 assign (resid 43 and name C ) (resid 44 and name N ) (resid 44 and name CA ) (resid 44 and name C ) 1.0 -137.84 30.00 2 assign (resid 44 and name N ) (resid 44 and name CA ) (resid 44 and name C ) (resid 45 and name N ) 1.0 141.67 30.00 2 assign (resid 44 and name C ) (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) 1.0 -104.26 30.00 2 assign (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) (resid 46 and name N ) 1.0 128.96 30.00 2 assign (resid 45 and name C ) (resid 46 and name N ) (resid 46 and name CA ) (resid 46 and name C ) 1.0 -116.66 30.00 2 assign (resid 46 and name N ) (resid 46 and name CA ) (resid 46 and name C ) (resid 47 and name N ) 1.0 141.44 30.00 2 assign (resid 46 and name C ) (resid 47 and name N ) (resid 47 and name CA ) (resid 47 and name C ) 1.0 -98.45 30.00 2 assign (resid 47 and name N ) (resid 47 and name CA ) (resid 47 and name C ) (resid 48 and name N ) 1.0 137.83 30.00 2 assign (resid 47 and name C ) (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name C ) 1.0 -138.81 30.00 2 assign (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name C ) (resid 49 and name N ) 1.0 151.64 30.00 2 assign (resid 48 and name C ) (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name C ) 1.0 -103.59 30.00 2 assign (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name C ) (resid 50 and name N ) 1.0 135.11 30.00 2 assign (resid 49 and name C ) (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) 1.0 -100.24 30.00 2 assign (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) (resid 51 and name N ) 1.0 135.78 30.00 2 assign (resid 52 and name C ) (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name C ) 1.0 -94.45 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 -1.85 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 74.99 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 22.18 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 -109.76 30.00 2 assign (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name C ) (resid 56 and name N ) 1.0 149.64 30.00 2 assign (resid 56 and name C ) (resid 57 and name N ) (resid 57 and name CA ) (resid 57 and name C ) 1.0 -125.65 30.00 2 assign (resid 57 and name N ) (resid 57 and name CA ) (resid 57 and name C ) (resid 58 and name N ) 1.0 144.89 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 -118.19 30.00 2 assign (resid 58 and name N ) (resid 58 and name CA ) (resid 58 and name C ) (resid 59 and name N ) 1.0 136.28 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 -124.80 30.00 2 assign (resid 59 and name N ) (resid 59 and name CA ) (resid 59 and name C ) (resid 60 and name N ) 1.0 128.04 30.00 2 assign (resid 59 and name C ) (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name C ) 1.0 -119.38 30.00 2 assign (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name C ) (resid 61 and name N ) 1.0 135.77 30.00 2 assign (resid 60 and name C ) (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) 1.0 -121.33 30.00 2 assign (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) (resid 62 and name N ) 1.0 137.28 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 -138.25 30.00 2 assign (resid 76 and name N ) (resid 76 and name CA ) (resid 76 and name C ) (resid 77 and name N ) 1.0 171.06 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 -133.76 30.00 2 assign (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name C ) (resid 78 and name N ) 1.0 149.29 30.00 2 assign (resid 81 and name N ) (resid 81 and name CA ) (resid 81 and name C ) (resid 82 and name N ) 1.0 149.11 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 -122.35 30.00 2 assign (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name C ) (resid 83 and name N ) 1.0 130.65 30.00 2 assign (resid 82 and name C ) (resid 83 and name N ) (resid 83 and name CA ) (resid 83 and name C ) 1.0 -95.57 30.00 2 assign (resid 83 and name N ) (resid 83 and name CA ) (resid 83 and name C ) (resid 84 and name N ) 1.0 129.71 30.00 2 assign (resid 98 and name C ) (resid 99 and name N ) (resid 99 and name CA ) (resid 99 and name C ) 1.0 -109.89 30.00 2 assign (resid 99 and name N ) (resid 99 and name CA ) (resid 99 and name C ) (resid 100 and name N ) 1.0 130.35 30.00 2 assign (resid 99 and name C ) (resid 100 and name N ) (resid 100 and name CA ) (resid 100 and name C ) 1.0 -114.94 30.00 2 assign (resid 100 and name N ) (resid 100 and name CA ) (resid 100 and name C ) (resid 101 and name N ) 1.0 135.01 30.00 2 assign (resid 101 and name C ) (resid 102 and name N ) (resid 102 and name CA ) (resid 102 and name C ) 1.0 -130.21 30.00 2 assign (resid 102 and name N ) (resid 102 and name CA ) (resid 102 and name C ) (resid 103 and name N ) 1.0 150.99 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 -123.24 30.00 2 assign (resid 106 and name N ) (resid 106 and name CA ) (resid 106 and name C ) (resid 107 and name N ) 1.0 150.25 30.00 2 ! ! TALOS constraints for S22 and K42 beta-bulges ! assign (resid 21 and name C ) (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) 1.0 -103.68 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 -32.35 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 -127.99 30.00 2 assign (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name C ) (resid 24 and name N ) 1.0 155.89 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 -102.65 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 -27.33 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 24 and name N ) (resid 24 and name CA ) (resid 24 and name CB ) (resid 24 and name CG ) 1.0 180.00 20.00 2 assign (resid 24 and name CA ) (resid 24 and name CB ) (resid 24 and name CG ) (resid 24 and name CD1 ) 1.0 60.00 20.00 2 assign (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name CB ) (resid 25 and name CG ) 1.0 180.00 20.00 2 assign (resid 25 and name CA ) (resid 25 and name CB ) (resid 25 and name CG ) (resid 25 and name CD ) 1.0 60.00 20.00 2 assign (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name CB ) (resid 26 and name CG ) 1.0 180.00 20.00 2 assign (resid 26 and name CA ) (resid 26 and name CB ) (resid 26 and name CG ) (resid 26 and name CD ) 1.0 180.00 20.00 2 assign (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name CB ) (resid 27 and name CG ) 1.0 -60.00 20.00 2 assign (resid 27 and name CA ) (resid 27 and name CB ) (resid 27 and name CG ) (resid 27 and name CD ) 1.0 180.00 20.00 2 assign (resid 47 and name N ) (resid 47 and name CA ) (resid 47 and name CB ) (resid 47 and name CG ) 1.0 -60.00 20.00 2 assign (resid 47 and name CA ) (resid 47 and name CB ) (resid 47 and name CG ) (resid 47 and name OD1 ) 1.0 -30.00 20.00 2 assign (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name CB ) (resid 82 and name CG1 ) 1.0 60.00 20.00 2 assign (resid 82 and name CA ) (resid 82 and name CB ) (resid 82 and name CG1 ) (resid 82 and name CD1 ) 1.0 180.00 20.00 2 assign (resid 99 and name N ) (resid 99 and name CA ) (resid 99 and name CB ) (resid 99 and name CG ) 1.0 -60.00 20.00 2 assign (resid 99 and name CA ) (resid 99 and name CB ) (resid 99 and name CG ) (resid 99 and name CD1 ) 1.0 60.00 20.00 2 assign (resid 100 and name N ) (resid 100 and name CA ) (resid 100 and name CB ) (resid 100 and name CG1 ) 1.0 -60.00 20.00 2 assign (resid 100 and name CA ) (resid 100 and name CB ) (resid 100 and name CG1 ) (resid 100 and name CD1 ) 1.0 180.00 20.00 2 assign (resid 101 and name N ) (resid 101 and name CA ) (resid 101 and name CB ) (resid 101 and name CG ) 1.0 -60.00 20.00 2 assign (resid 101 and name CA ) (resid 101 and name CB ) (resid 101 and name CG ) (resid 101 and name CD ) 1.0 180.00 20.00 2 assign (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name CB ) (resid 104 and name CG ) 1.0 180.00 20.00 2 assign (resid 104 and name CA ) (resid 104 and name CB ) (resid 104 and name CG ) (resid 104 and name OD1 ) 1.0 30.00 20.00 2 assign (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name CB ) (resid 103 and name CG ) 1.0 180.00 20.00 2 assign (resid 103 and name CA ) (resid 103 and name CB ) (resid 103 and name CG ) (resid 103 and name OD1 ) 1.0 30.00 20.00 2 assign (resid 57 and name N ) (resid 57 and name CA ) (resid 57 and name CB ) (resid 57 and name CG1 ) 1.0 60.00 20.00 2 assign (resid 57 and name CA ) (resid 57 and name CB ) (resid 57 and name CG1 ) (resid 57 and name CD1 ) 1.0 180.00 20.00 2 assign (resid 105 and name N ) (resid 105 and name CA ) (resid 105 and name CB ) (resid 105 and name CG1 ) 1.0 -60.00 20.00 2 assign (resid 105 and name CA ) (resid 105 and name CB ) (resid 105 and name CG1 ) (resid 105 and name CD1 ) 1.0 180.00 20.00 2 ! add TALOS P81 phi constraint in CNS assign (resid 80 and name C ) (resid 81 and name N ) (resid 81 and name CA ) (resid 81 and name C ) 1.0 -60.00 20.00 2 end
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