NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
25522 |
2k9j   |
16497 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
! aIIb_dimer_talos_1stdev.tbl
assign (resid 9 and name c) (resid 10 and name n)
(resid 10 and name ca) (resid 10 and name c) 1.0 -68.0 12.0 2
assign (resid 10 and name n) (resid 10 and name ca)
(resid 10 and name c) (resid 11 and name n) 1.0 -27.0 14.0 2
assign (resid 10 and name c) (resid 11 and name n)
(resid 11 and name ca) (resid 11 and name c) 1.0 -65.0 7.0 2
assign (resid 11 and name n) (resid 11 and name ca)
(resid 11 and name c) (resid 12 and name n) 1.0 -38.0 17.0 2
assign (resid 11 and name c) (resid 12 and name n)
(resid 12 and name ca) (resid 12 and name c) 1.0 -72.0 17.0 2
assign (resid 12 and name n) (resid 12 and name ca)
(resid 12 and name c) (resid 13 and name n) 1.0 -36.0 11.0 2
assign (resid 12 and name c) (resid 13 and name n)
(resid 13 and name ca) (resid 13 and name c) 1.0 -70.0 10.0 2
assign (resid 13 and name n) (resid 13 and name ca)
(resid 13 and name c) (resid 14 and name n) 1.0 -41.0 11.0 2
assign (resid 13 and name c) (resid 14 and name n)
(resid 14 and name ca) (resid 14 and name c) 1.0 -64.0 8.0 2
assign (resid 14 and name n) (resid 14 and name ca)
(resid 14 and name c) (resid 15 and name n) 1.0 -35.0 11.0 2
assign (resid 14 and name c) (resid 15 and name n)
(resid 15 and name ca) (resid 15 and name c) 1.0 -61.0 8.0 2
assign (resid 15 and name n) (resid 15 and name ca)
(resid 15 and name c) (resid 16 and name n) 1.0 -46.0 5.0 2
assign (resid 15 and name c) (resid 16 and name n)
(resid 16 and name ca) (resid 16 and name c) 1.0 -66.0 6.0 2
assign (resid 16 and name n) (resid 16 and name ca)
(resid 16 and name c) (resid 17 and name n) 1.0 -38.0 5.0 2
assign (resid 16 and name c) (resid 17 and name n)
(resid 17 and name ca) (resid 17 and name c) 1.0 -66.0 6.0 2
assign (resid 17 and name n) (resid 17 and name ca)
(resid 17 and name c) (resid 18 and name n) 1.0 -44.0 9.0 2
assign (resid 17 and name c) (resid 18 and name n)
(resid 18 and name ca) (resid 18 and name c) 1.0 -71.0 13.0 2
assign (resid 18 and name n) (resid 18 and name ca)
(resid 18 and name c) (resid 19 and name n) 1.0 -35.0 20.0 2
assign (resid 18 and name c) (resid 19 and name n)
(resid 19 and name ca) (resid 19 and name c) 1.0 -67.0 5.0 2
assign (resid 19 and name n) (resid 19 and name ca)
(resid 19 and name c) (resid 20 and name n) 1.0 -32.0 10.0 2
assign (resid 19 and name c) (resid 20 and name n)
(resid 20 and name ca) (resid 20 and name c) 1.0 -63.0 12.0 2
assign (resid 20 and name n) (resid 20 and name ca)
(resid 20 and name c) (resid 21 and name n) 1.0 -45.0 13.0 2
assign (resid 20 and name c) (resid 21 and name n)
(resid 21 and name ca) (resid 21 and name c) 1.0 -63.0 6.0 2
assign (resid 21 and name n) (resid 21 and name ca)
(resid 21 and name c) (resid 22 and name n) 1.0 -41.0 7.0 2
assign (resid 21 and name c) (resid 22 and name n)
(resid 22 and name ca) (resid 22 and name c) 1.0 -63.7 4.8 2
assign (resid 22 and name n) (resid 22 and name ca)
(resid 22 and name c) (resid 23 and name n) 1.0 -45.1 4.9 2
assign (resid 22 and name c) (resid 23 and name n)
(resid 23 and name ca) (resid 23 and name c) 1.0 -68.0 9.5 2
assign (resid 23 and name n) (resid 23 and name ca)
(resid 23 and name c) (resid 24 and name n) 1.0 -37.2 15.1 2
assign (resid 23 and name c) (resid 24 and name n)
(resid 24 and name ca) (resid 24 and name c) 1.0 -66.0 3.3 2
assign (resid 24 and name n) (resid 24 and name ca)
(resid 24 and name c) (resid 25 and name n) 1.0 -41.4 9.3 2
assign (resid 24 and name c) (resid 25 and name n)
(resid 25 and name ca) (resid 25 and name c) 1.0 -64.8 4.6 2
assign (resid 25 and name n) (resid 25 and name ca)
(resid 25 and name c) (resid 26 and name n) 1.0 -38.7 10.6 2
assign (resid 25 and name c) (resid 26 and name n)
(resid 26 and name ca) (resid 26 and name c) 1.0 -60.2 7.5 2
assign (resid 26 and name n) (resid 26 and name ca)
(resid 26 and name c) (resid 27 and name n) 1.0 -43.6 5.6 2
assign (resid 26 and name c) (resid 27 and name n)
(resid 27 and name ca) (resid 27 and name c) 1.0 -66.4 6.4 2
assign (resid 27 and name n) (resid 27 and name ca)
(resid 27 and name c) (resid 28 and name n) 1.0 -39.4 9.4 2
assign (resid 27 and name c) (resid 28 and name n)
(resid 28 and name ca) (resid 28 and name c) 1.0 -67.0 8.0 2
assign (resid 28 and name n) (resid 28 and name ca)
(resid 28 and name c) (resid 29 and name n) 1.0 -42.1 8.7 2
assign (resid 28 and name c) (resid 29 and name n)
(resid 29 and name ca) (resid 29 and name c) 1.0 -61.4 6.9 2
assign (resid 29 and name n) (resid 29 and name ca)
(resid 29 and name c) (resid 30 and name n) 1.0 -40.7 7.5 2
assign (resid 29 and name c) (resid 30 and name n)
(resid 30 and name ca) (resid 30 and name c) 1.0 -64.1 5.0 2
assign (resid 30 and name n) (resid 30 and name ca)
(resid 30 and name c) (resid 31 and name n) 1.0 -38.0 6.6 2
assign (resid 30 and name c) (resid 31 and name n)
(resid 31 and name ca) (resid 31 and name c) 1.0 -61.0 6.0 2
assign (resid 31 and name n) (resid 31 and name ca)
(resid 31 and name c) (resid 32 and name n) 1.0 -43.0 10.0 2
assign (resid 31 and name c) (resid 32 and name n)
(resid 32 and name ca) (resid 32 and name c) 1.0 -68.0 9.0 2
assign (resid 32 and name n) (resid 32 and name ca)
(resid 32 and name c) (resid 33 and name n) 1.0 -40.0 18.0 2
assign (resid 32 and name c) (resid 33 and name n)
(resid 33 and name ca) (resid 33 and name c) 1.0 -68.0 15.0 2
assign (resid 33 and name n) (resid 33 and name ca)
(resid 33 and name c) (resid 34 and name n) 1.0 -25.0 11.0 2
assign (resid 33 and name c) (resid 34 and name n)
(resid 34 and name ca) (resid 34 and name c) 1.0 -109.0 17.0 2
assign (resid 34 and name n) (resid 34 and name ca)
(resid 34 and name c) (resid 35 and name n) 1.0 2.0 22.0 2
assign (resid 34 and name c) (resid 35 and name n)
(resid 35 and name ca) (resid 35 and name c) 1.0 85.0 10.0 2
assign (resid 35 and name n) (resid 35 and name ca)
(resid 35 and name c) (resid 36 and name n) 1.0 6.0 8.0 2
assign (resid 35 and name c) (resid 36 and name n)
(resid 36 and name ca) (resid 36 and name c) 1.0 -72.0 12.0 2
assign (resid 36 and name n) (resid 36 and name ca)
(resid 36 and name c) (resid 37 and name n) 1.0 -22.0 15.0 2
assign (resid 36 and name c) (resid 37 and name n)
(resid 37 and name ca) (resid 37 and name c) 1.0 -105.0 17.0 2
assign (resid 37 and name n) (resid 37 and name ca)
(resid 37 and name c) (resid 38 and name n) 1.0 2.0 7.0 2
assign (resid 37 and name c) (resid 38 and name n)
(resid 38 and name ca) (resid 38 and name c) 1.0 -117.0 27.0 2
assign (resid 38 and name n) (resid 38 and name ca)
(resid 38 and name c) (resid 39 and name n) 1.0 141.0 16.0 2
assign (resid 38 and name c) (resid 39 and name n)
(resid 39 and name ca) (resid 39 and name c) 1.0 -116.0 24.0 2
assign (resid 39 and name n) (resid 39 and name ca)
(resid 39 and name c) (resid 40 and name n) 1.0 138.0 22.0 2
assign (resid 39 and name c) (resid 40 and name n)
(resid 40 and name ca) (resid 40 and name c) 1.0 -106.0 21.0 2
assign (resid 40 and name n) (resid 40 and name ca)
(resid 40 and name c) (resid 41 and name n) 1.0 131.0 15.0 2
assign (resid 40 and name c) (resid 41 and name n)
(resid 41 and name ca) (resid 41 and name c) 1.0 -113.0 23.0 2
assign (resid 41 and name n) (resid 41 and name ca)
(resid 41 and name c) (resid 42 and name n) 1.0 144.0 16.0 2
! Chi1 empirical
!W11 snorkel
assign (resid 11 and name N)
(resid 11 and name CA)
(resid 11 and name CB)
(resid 11 and name CG) 1.00 -60.000 60.000 2
assign (resid 11 and name CA)
(resid 11 and name CB)
(resid 11 and name CG)
(resid 11 and name CD1) 1.00 120.000 30.000 2 ! points NH toward extra, snorkeling
!W12 snorkel
assign (resid 12 and name N)
(resid 12 and name CA)
(resid 12 and name CB)
(resid 12 and name CG) 1.00 -60.000 30.000 2
assign (resid 12 and name CA)
(resid 12 and name CB)
(resid 12 and name CG)
(resid 12 and name CD1) 1.00 120.000 30.000 2 ! points NH toward extra, snorkeling
!M31
!assign (resid 31 and name N)
! (resid 31 and name CA)
! (resid 31 and name CB)
! (resid 31 and name CG) 1.00 -60.000 30.000 2
!assign (resid 31 and name CA)
! (resid 31 and name CB)
! (resid 31 and name CG)
! (resid 31 and name SD) 1.00 180.000 30.000 2 ! this is the canonical RAMA value
!assign (resid 31 and name CB)
! (resid 31 and name CG)
! (resid 31 and name SD)
! (resid 31 and name CE) 1.00 +60.000 30.000 2 ! this is the canonical RAMA value
!W32 snorkel
assign (resid 32 and name N)
(resid 32 and name CA)
(resid 32 and name CB)
(resid 32 and name CG) 1.00 180.000 30.000 2
assign (resid 32 and name CA)
(resid 32 and name CB)
(resid 32 and name CG)
(resid 32 and name CD1) 1.00 0.000 30.000 2 ! points NH toward cytosol, snorkeling
!Lys 33, snorkel
assign (resid 33 and name N)
(resid 33 and name CA)
(resid 33 and name CB)
(resid 33 and name CG) 1.00 180.000 60.000 2
assign (resid 33 and name CA)
(resid 33 and name CB)
(resid 33 and name CG)
(resid 33 and name CD) 1.00 -60.000 30.000 2 ! Chi2 is adjusted to snorkel
assign (resid 33 and name CB)
(resid 33 and name CG)
(resid 33 and name CD)
(resid 33 and name CE) 1.00 +60.000 30.000 2 ! Chi3 is adjusted to snorkel
assign (resid 33 and name CG)
(resid 33 and name CD)
(resid 33 and name CE)
(resid 33 and name NZ) 1.00 180.000 30.000 2 ! this is the canonical RAMA value
!F36 immerse
assign (resid 36 and name N)
(resid 36 and name CA)
(resid 36 and name CB)
(resid 36 and name CG) 1.00 180.000 30.000 2
assign (resid 36 and name CA)
(resid 36 and name CB)
(resid 36 and name CG)
(resid 36 and name CD1) 1.00 0.000 30.000 2
!F37
assign (resid 37 and name N)
(resid 37 and name CA)
(resid 37 and name CB)
(resid 37 and name CG) 1.00 -60.000 30.000 2
! R39-D139 H-bond
!assign (resid 39 and name CZ)
! (resid 39 and name NH1)
! (resid 139 and name OD1)
! (resid 139 and name CG) 1.00 0.000 30.000 2
!assign (resid 39 and name CZ)
! (resid 39 and name NH2)
! (resid 139 and name OD2)
! (resid 139 and name CG) 1.00 0.000 30.000 2
! b3TM_dimer_talos_1sdtev.tbl
assign (resid 108 and name c) (resid 109 and name n)
(resid 109 and name ca) (resid 109 and name c) 1.0 -63.0 6.0 2
assign (resid 109 and name n) (resid 109 and name ca)
(resid 109 and name c) (resid 110 and name n) 1.0 -34.0 16.0 2
assign (resid 109 and name c) (resid 110 and name n)
(resid 110 and name ca) (resid 110 and name c) 1.0 -63.0 8.0 2
assign (resid 110 and name n) (resid 110 and name ca)
(resid 110 and name c) (resid 111 and name n) 1.0 -38.0 9.0 2
assign (resid 110 and name c) (resid 111 and name n)
(resid 111 and name ca) (resid 111 and name c) 1.0 -63.7 6.4 2
assign (resid 111 and name n) (resid 111 and name ca)
(resid 111 and name c) (resid 112 and name n) 1.0 -45.5 4.1 2
assign (resid 111 and name c) (resid 112 and name n)
(resid 112 and name ca) (resid 112 and name c) 1.0 -65.7 7.7 2
assign (resid 112 and name n) (resid 112 and name ca)
(resid 112 and name c) (resid 113 and name n) 1.0 -45.1 3.2 2
assign (resid 112 and name c) (resid 113 and name n)
(resid 113 and name ca) (resid 113 and name c) 1.0 -58.6 3.9 2
assign (resid 113 and name n) (resid 113 and name ca)
(resid 113 and name c) (resid 114 and name n) 1.0 -43.3 3.9 2
assign (resid 113 and name c) (resid 114 and name n)
(resid 114 and name ca) (resid 114 and name c) 1.0 -64.7 5.1 2
assign (resid 114 and name n) (resid 114 and name ca)
(resid 114 and name c) (resid 115 and name n) 1.0 -41.1 5.8 2
assign (resid 114 and name c) (resid 115 and name n)
(resid 115 and name ca) (resid 115 and name c) 1.0 -64.2 3.4 2
assign (resid 115 and name n) (resid 115 and name ca)
(resid 115 and name c) (resid 116 and name n) 1.0 -43.4 3.8 2
assign (resid 115 and name c) (resid 116 and name n)
(resid 116 and name ca) (resid 116 and name c) 1.0 -64.2 5.6 2
assign (resid 116 and name n) (resid 116 and name ca)
(resid 116 and name c) (resid 117 and name n) 1.0 -42.5 4.2 2
assign (resid 116 and name c) (resid 117 and name n)
(resid 117 and name ca) (resid 117 and name c) 1.0 -58.3 3.4 2
assign (resid 117 and name n) (resid 117 and name ca)
(resid 117 and name c) (resid 118 and name n) 1.0 -39.9 11.3 2
assign (resid 117 and name c) (resid 118 and name n)
(resid 118 and name ca) (resid 118 and name c) 1.0 -65.6 7.7 2
assign (resid 118 and name n) (resid 118 and name ca)
(resid 118 and name c) (resid 119 and name n) 1.0 -35.7 9.6 2
assign (resid 118 and name c) (resid 119 and name n)
(resid 119 and name ca) (resid 119 and name c) 1.0 -60.8 5.2 2
assign (resid 119 and name n) (resid 119 and name ca)
(resid 119 and name c) (resid 120 and name n) 1.0 -42.3 6.1 2
assign (resid 119 and name c) (resid 120 and name n)
(resid 120 and name ca) (resid 120 and name c) 1.0 -69.0 11.9 2
assign (resid 120 and name n) (resid 120 and name ca)
(resid 120 and name c) (resid 121 and name n) 1.0 -43.9 7.5 2
assign (resid 120 and name c) (resid 121 and name n)
(resid 121 and name ca) (resid 121 and name c) 1.0 -65.0 4.0 2
assign (resid 121 and name n) (resid 121 and name ca)
(resid 121 and name c) (resid 122 and name n) 1.0 -35.0 15.0 2
assign (resid 121 and name c) (resid 122 and name n)
(resid 122 and name ca) (resid 122 and name c) 1.0 -62.2 4.1 2
assign (resid 122 and name n) (resid 122 and name ca)
(resid 122 and name c) (resid 123 and name n) 1.0 -42.1 5.1 2
assign (resid 122 and name c) (resid 123 and name n)
(resid 123 and name ca) (resid 123 and name c) 1.0 -68.6 9.0 2
assign (resid 123 and name n) (resid 123 and name ca)
(resid 123 and name c) (resid 124 and name n) 1.0 -45.6 8.3 2
assign (resid 123 and name c) (resid 124 and name n)
(resid 124 and name ca) (resid 124 and name c) 1.0 -61.9 6.4 2
assign (resid 124 and name n) (resid 124 and name ca)
(resid 124 and name c) (resid 125 and name n) 1.0 -36.4 10.0 2
assign (resid 124 and name c) (resid 125 and name n)
(resid 125 and name ca) (resid 125 and name c) 1.0 -68.7 11.6 2
assign (resid 125 and name n) (resid 125 and name ca)
(resid 125 and name c) (resid 126 and name n) 1.0 -40.5 8.5 2
assign (resid 125 and name c) (resid 126 and name n)
(resid 126 and name ca) (resid 126 and name c) 1.0 -62.7 2.8 2
assign (resid 126 and name n) (resid 126 and name ca)
(resid 126 and name c) (resid 127 and name n) 1.0 -42.0 5.6 2
assign (resid 126 and name c) (resid 127 and name n)
(resid 127 and name ca) (resid 127 and name c) 1.0 -64.7 4.3 2
assign (resid 127 and name n) (resid 127 and name ca)
(resid 127 and name c) (resid 128 and name n) 1.0 -42.8 7.4 2
assign (resid 127 and name c) (resid 128 and name n)
(resid 128 and name ca) (resid 128 and name c) 1.0 -66.0 4.2 2
assign (resid 128 and name n) (resid 128 and name ca)
(resid 128 and name c) (resid 129 and name n) 1.0 -39.8 5.7 2
assign (resid 128 and name c) (resid 129 and name n)
(resid 129 and name ca) (resid 129 and name c) 1.0 -62.2 5.2 2
assign (resid 129 and name n) (resid 129 and name ca)
(resid 129 and name c) (resid 130 and name n) 1.0 -45.8 6.2 2
assign (resid 129 and name c) (resid 130 and name n)
(resid 130 and name ca) (resid 130 and name c) 1.0 -65.1 6.0 2
assign (resid 130 and name n) (resid 130 and name ca)
(resid 130 and name c) (resid 131 and name n) 1.0 -43.5 3.6 2
assign (resid 130 and name c) (resid 131 and name n)
(resid 131 and name ca) (resid 131 and name c) 1.0 -62.3 6.8 2
assign (resid 131 and name n) (resid 131 and name ca)
(resid 131 and name c) (resid 132 and name n) 1.0 -37.9 16.2 2
assign (resid 131 and name c) (resid 132 and name n)
(resid 132 and name ca) (resid 132 and name c) 1.0 -68.8 11.5 2
assign (resid 132 and name n) (resid 132 and name ca)
(resid 132 and name c) (resid 133 and name n) 1.0 -38.9 6.0 2
assign (resid 132 and name c) (resid 133 and name n)
(resid 133 and name ca) (resid 133 and name c) 1.0 -62.6 7.9 2
assign (resid 133 and name n) (resid 133 and name ca)
(resid 133 and name c) (resid 134 and name n) 1.0 -41.5 7.5 2
assign (resid 133 and name c) (resid 134 and name n)
(resid 134 and name ca) (resid 134 and name c) 1.0 -61.1 4.7 2
assign (resid 134 and name n) (resid 134 and name ca)
(resid 134 and name c) (resid 135 and name n) 1.0 -38.2 12.1 2
assign (resid 134 and name c) (resid 135 and name n)
(resid 135 and name ca) (resid 135 and name c) 1.0 -68.0 7.5 2
assign (resid 135 and name n) (resid 135 and name ca)
(resid 135 and name c) (resid 136 and name n) 1.0 -42.0 4.6 2
assign (resid 135 and name c) (resid 136 and name n)
(resid 136 and name ca) (resid 136 and name c) 1.0 -63.0 5.0 2
assign (resid 136 and name n) (resid 136 and name ca)
(resid 136 and name c) (resid 137 and name n) 1.0 -41.0 7.0 2
assign (resid 136 and name c) (resid 137 and name n)
(resid 137 and name ca) (resid 137 and name c) 1.0 -64.0 6.0 2
assign (resid 137 and name n) (resid 137 and name ca)
(resid 137 and name c) (resid 138 and name n) 1.0 -43.0 5.0 2
assign (resid 137 and name c) (resid 138 and name n)
(resid 138 and name ca) (resid 138 and name c) 1.0 -65.0 6.0 2
assign (resid 138 and name n) (resid 138 and name ca)
(resid 138 and name c) (resid 139 and name n) 1.0 -39.0 11.0 2
assign (resid 138 and name c) (resid 139 and name n)
(resid 139 and name ca) (resid 139 and name c) 1.0 -72.0 11.0 2
assign (resid 139 and name n) (resid 139 and name ca)
(resid 139 and name c) (resid 140 and name n) 1.0 -28.0 18.0 2
! empirical Chi
!Asp, N-terminal, from Biophys J, 87, 3460-3469
assign (resid 108 and name N)
(resid 108 and name CA)
(resid 108 and name CB)
(resid 108 and name CG) 1.00 -60.000 30.000 2 ! this is the canonical RAMA value
assign (resid 108 and name CA)
(resid 108 and name CB)
(resid 108 and name CG)
(resid 108 and name OD1) 1.00 0.000 15.000 2 ! this is the canonical RAMA value
!Met, from Biophys J, 87, 3460-3469
! -60,180,+60 is one good possibility out of three
assign (resid 117 and name N)
(resid 117 and name CA)
(resid 117 and name CB)
(resid 117 and name CG) 1.00 -60.000 30.000 2 ! this is the canonical RAMA value
assign (resid 117 and name CA)
(resid 117 and name CB)
(resid 117 and name CG)
(resid 117 and name SD) 1.00 180.000 30.000 2 ! this is the canonical RAMA value
assign (resid 117 and name CB)
(resid 117 and name CG)
(resid 117 and name SD)
(resid 117 and name CE) 1.00 +60.000 30.000 2 ! this is the canonical RAMA value
!Trp, C-terminal, snorkeling, from Biophys J, 87, 3460-3469
assign (resid 131 and name N)
(resid 131 and name CA)
(resid 131 and name CB)
(resid 131 and name CG) 1.00 180.000 30.000 2
assign (resid 131 and name CA)
(resid 131 and name CB)
(resid 131 and name CG)
(resid 131 and name CD1) 1.00 0.000 30.000 2 ! points NH toward cytosol, snorkeling
Lys, N-terminal, snorkeling, no reference
assign (resid 132 and name N)
(resid 132 and name CA)
(resid 132 and name CB)
(resid 132 and name CG) 1.00 180.000 60.000 2 ! this is the canonical RAMA value
assign (resid 132 and name CA)
(resid 132 and name CB)
(resid 132 and name CG)
(resid 132 and name CD) 1.00 -60.000 30.000 2 ! Chi2 is adjusted to snorkel
assign (resid 132 and name CB)
(resid 132 and name CG)
(resid 132 and name CD)
(resid 132 and name CE) 1.00 +60.000 30.000 2 ! Chi3 is adjusted to snorkel
assign (resid 132 and name CG)
(resid 132 and name CD)
(resid 132 and name CE)
(resid 132 and name NZ) 1.00 180.000 30.000 2 ! this is the canonical RAMA value
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