NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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27463 |
2rmz   |
cing | 1-original | 6 | XPLOR/CNS | dihedral angle |
! empirical Chi
!Asp, N-terminal, from Biophys J, 87, 3460-3469
assign (resid 8 and name N)
(resid 8 and name CA)
(resid 8 and name CB)
(resid 8 and name CG) 1.00 -60.000 30.000 2 ! this is the canonical RAMA value
assign (resid 8 and name CA)
(resid 8 and name CB)
(resid 8 and name CG)
(resid 8 and name OD1) 1.00 0.000 15.000 2 ! this is the canonical RAMA value
!Ser, from JBM, 1984
!+60 is also possible, for a H-bond more toward i-3
assign (resid 15 and name N)
(resid 15 and name CA)
(resid 15 and name CB)
(resid 15 and name OG) 1.00 -60.000 30.000 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 17 and name N)
(resid 17 and name CA)
(resid 17 and name CB)
(resid 17 and name CG) 1.00 -60.000 30.000 2 ! this is the canonical RAMA value
assign (resid 17 and name CA)
(resid 17 and name CB)
(resid 17 and name CG)
(resid 17 and name SD) 1.00 180.000 30.000 2 ! this is the canonical RAMA value
assign (resid 17 and name CB)
(resid 17 and name CG)
(resid 17 and name SD)
(resid 17 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 31 and name N)
! (resid 31 and name CA)
! (resid 31 and name CB)
! (resid 31 and name CG) 1.00 180.000 30.000 2 ! this is the canonical RAMA value
! defined experimentally
assign (resid 31 and name CA)
(resid 31 and name CB)
(resid 31 and name CG)
(resid 31 and name CD1) 1.00 0.000 10.000 2 ! points NH toward cytosol, snorkeling
!Lys, N-terminal, snorkeling, no reference
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 10.000 2 ! this is the canonical RAMA value
assign (resid 32 and name CA)
(resid 32 and name CB)
(resid 32 and name CG)
(resid 32 and name CD) 1.00 +60.000 10.000 2 ! Chi2 is adjusted to snorkel
assign (resid 32 and name CB)
(resid 32 and name CG)
(resid 32 and name CD)
(resid 32 and name CE) 1.00 -60.000 10.000 2 ! Chi3 is adjusted to snorkel
assign (resid 32 and name CG)
(resid 32 and name CD)
(resid 32 and name CE)
(resid 32 and name NZ) 1.00 180.000 10.000 2 ! this is the canonical RAMA value
!Thr, from JBM, 1984
assign (resid 36 and name N)
(resid 36 and name CA)
(resid 36 and name CB)
(resid 36 and name OG1) 1.00 -60.000 30.000 2 ! this is the canonical RAMA value
!His, lipid facing, Biophs J, 87, 3460-3469
assign (resid 38 and name N)
(resid 38 and name CA)
(resid 38 and name CB)
(resid 38 and name CG) 1.00 -60.000 15.000 2 ! adjusted
assign (resid 38 and name CA)
(resid 38 and name CB)
(resid 38 and name CG)
(resid 38 and name ND1) 1.00 +60.000 15.000 2 ! points ND1 towards lipids, H-bonding i-4
assign (resid 8 and name c) (resid 9 and name n)
(resid 9 and name ca) (resid 9 and name c) 1.0 -63.0 12.0 2
assign (resid 9 and name n) (resid 9 and name ca)
(resid 9 and name c) (resid 10 and name n) 1.0 -41.0 22.0 2
assign (resid 9 and name c) (resid 10 and name n)
(resid 10 and name ca) (resid 10 and name c) 1.0 -61.3 7.9 2
assign (resid 10 and name n) (resid 10 and name ca)
(resid 10 and name c) (resid 11 and name n) 1.0 -44.8 14.5 2
assign (resid 10 and name c) (resid 11 and name n)
(resid 11 and name ca) (resid 11 and name c) 1.0 -64.4 9.0 2
assign (resid 11 and name n) (resid 11 and name ca)
(resid 11 and name c) (resid 12 and name n) 1.0 -43.0 5.2 2
assign (resid 11 and name c) (resid 12 and name n)
(resid 12 and name ca) (resid 12 and name c) 1.0 -65.2 9.8 2
assign (resid 12 and name n) (resid 12 and name ca)
(resid 12 and name c) (resid 13 and name n) 1.0 -43.0 11.3 2
assign (resid 12 and name c) (resid 13 and name n)
(resid 13 and name ca) (resid 13 and name c) 1.0 -59.9 7.7 2
assign (resid 13 and name n) (resid 13 and name ca)
(resid 13 and name c) (resid 14 and name n) 1.0 -38.5 16.2 2
assign (resid 13 and name c) (resid 14 and name n)
(resid 14 and name ca) (resid 14 and name c) 1.0 -65.0 8.9 2
assign (resid 14 and name n) (resid 14 and name ca)
(resid 14 and name c) (resid 15 and name n) 1.0 -40.9 11.1 2
assign (resid 14 and name c) (resid 15 and name n)
(resid 15 and name ca) (resid 15 and name c) 1.0 -64.1 6.0 2
assign (resid 15 and name n) (resid 15 and name ca)
(resid 15 and name c) (resid 16 and name n) 1.0 -43.1 4.8 2
assign (resid 15 and name c) (resid 16 and name n)
(resid 16 and name ca) (resid 16 and name c) 1.0 -62.8 5.8 2
assign (resid 16 and name n) (resid 16 and name ca)
(resid 16 and name c) (resid 17 and name n) 1.0 -41.2 7.0 2
assign (resid 16 and name c) (resid 17 and name n)
(resid 17 and name ca) (resid 17 and name c) 1.0 -61.0 9.3 2
assign (resid 17 and name n) (resid 17 and name ca)
(resid 17 and name c) (resid 18 and name n) 1.0 -42.8 11.5 2
assign (resid 17 and name c) (resid 18 and name n)
(resid 18 and name ca) (resid 18 and name c) 1.0 -65.0 16.0 2
assign (resid 18 and name n) (resid 18 and name ca)
(resid 18 and name c) (resid 19 and name n) 1.0 -30.0 26.0 2
assign (resid 18 and name c) (resid 19 and name n)
(resid 19 and name ca) (resid 19 and name c) 1.0 -61.7 8.9 2
assign (resid 19 and name n) (resid 19 and name ca)
(resid 19 and name c) (resid 20 and name n) 1.0 -42.7 12.6 2
assign (resid 19 and name c) (resid 20 and name n)
(resid 20 and name ca) (resid 20 and name c) 1.0 -62.9 6.6 2
assign (resid 20 and name n) (resid 20 and name ca)
(resid 20 and name c) (resid 21 and name n) 1.0 -43.8 13.2 2
assign (resid 20 and name c) (resid 21 and name n)
(resid 21 and name ca) (resid 21 and name c) 1.0 -64.1 14.3 2
assign (resid 21 and name n) (resid 21 and name ca)
(resid 21 and name c) (resid 22 and name n) 1.0 -36.1 20.0 2
assign (resid 21 and name c) (resid 22 and name n)
(resid 22 and name ca) (resid 22 and name c) 1.0 -63.0 7.5 2
assign (resid 22 and name n) (resid 22 and name ca)
(resid 22 and name c) (resid 23 and name n) 1.0 -41.1 10.9 2
assign (resid 22 and name c) (resid 23 and name n)
(resid 23 and name ca) (resid 23 and name c) 1.0 -66.4 13.2 2
assign (resid 23 and name n) (resid 23 and name ca)
(resid 23 and name c) (resid 24 and name n) 1.0 -45.0 14.9 2
assign (resid 23 and name c) (resid 24 and name n)
(resid 24 and name ca) (resid 24 and name c) 1.0 -64.0 12.0 2
assign (resid 24 and name n) (resid 24 and name ca)
(resid 24 and name c) (resid 25 and name n) 1.0 -36.0 8.0 2
assign (resid 24 and name c) (resid 25 and name n)
(resid 25 and name ca) (resid 25 and name c) 1.0 -64.4 16.7 2
assign (resid 25 and name n) (resid 25 and name ca)
(resid 25 and name c) (resid 26 and name n) 1.0 -42.1 17.1 2
assign (resid 25 and name c) (resid 26 and name n)
(resid 26 and name ca) (resid 26 and name c) 1.0 -60.8 10.8 2
assign (resid 26 and name n) (resid 26 and name ca)
(resid 26 and name c) (resid 27 and name n) 1.0 -42.7 10.3 2
assign (resid 26 and name c) (resid 27 and name n)
(resid 27 and name ca) (resid 27 and name c) 1.0 -66.3 13.0 2
assign (resid 27 and name n) (resid 27 and name ca)
(resid 27 and name c) (resid 28 and name n) 1.0 -44.0 10.1 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 11.5 2
assign (resid 28 and name n) (resid 28 and name ca)
(resid 28 and name c) (resid 29 and name n) 1.0 -44.9 9.5 2
assign (resid 28 and name c) (resid 29 and name n)
(resid 29 and name ca) (resid 29 and name c) 1.0 -67.2 13.7 2
assign (resid 29 and name n) (resid 29 and name ca)
(resid 29 and name c) (resid 30 and name n) 1.0 -38.9 17.4 2
assign (resid 29 and name c) (resid 30 and name n)
(resid 30 and name ca) (resid 30 and name c) 1.0 -65.0 11.4 2
assign (resid 30 and name n) (resid 30 and name ca)
(resid 30 and name c) (resid 31 and name n) 1.0 -38.4 15.2 2
assign (resid 30 and name c) (resid 31 and name n)
(resid 31 and name ca) (resid 31 and name c) 1.0 -64.4 16.4 2
assign (resid 31 and name n) (resid 31 and name ca)
(resid 31 and name c) (resid 32 and name n) 1.0 -41.6 33.4 2
assign (resid 31 and name c) (resid 32 and name n)
(resid 32 and name ca) (resid 32 and name c) 1.0 -62.2 11.0 2
assign (resid 32 and name n) (resid 32 and name ca)
(resid 32 and name c) (resid 33 and name n) 1.0 -36.1 13.7 2
assign (resid 32 and name c) (resid 33 and name n)
(resid 33 and name ca) (resid 33 and name c) 1.0 -65.0 14.0 2
assign (resid 33 and name n) (resid 33 and name ca)
(resid 33 and name c) (resid 34 and name n) 1.0 -41.0 20.0 2
assign (resid 33 and name c) (resid 34 and name n)
(resid 34 and name ca) (resid 34 and name c) 1.0 -62.0 10.0 2
assign (resid 34 and name n) (resid 34 and name ca)
(resid 34 and name c) (resid 35 and name n) 1.0 -37.0 16.0 2
assign (resid 34 and name c) (resid 35 and name n)
(resid 35 and name ca) (resid 35 and name c) 1.0 -64.0 12.0 2
assign (resid 35 and name n) (resid 35 and name ca)
(resid 35 and name c) (resid 36 and name n) 1.0 -41.0 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 -64.0 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 -38.0 24.0 2
assign (resid 36 and name c) (resid 37 and name n)
(resid 37 and name ca) (resid 37 and name c) 1.0 -65.0 12.0 2
assign (resid 37 and name n) (resid 37 and name ca)
(resid 37 and name c) (resid 38 and name n) 1.0 -37.0 18.0 2
assign (resid 37 and name c) (resid 38 and name n)
(resid 38 and name ca) (resid 38 and name c) 1.0 -63.0 12.0 2
assign (resid 38 and name n) (resid 38 and name ca)
(resid 38 and name c) (resid 39 and name n) 1.0 -32.0 22.0 2
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