NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
15899 |
1z2q   |
6594 | cing | 1-original | 4 | XPLOR/CNS | dihedral angle |
!! Phi and Chi1 torsion angle constraints
!!
assign (resid 2 and name C) (resid 3 and name N)
(resid 3 and name CA) (resid 3 and name C) 1.0 -120.0 60.0 2
assign (resid 4 and name C) (resid 5 and name N)
(resid 5 and name CA) (resid 5 and name C) 1.0 -120.0 60.0 2
assign (resid 8 and name C) (resid 9 and name N)
(resid 9 and name CA) (resid 9 and name C) 1.0 -120.0 60.0 2
assign (resid 14 and name C) (resid 15 and name N)
(resid 15 and name CA) (resid 15 and name C) 1.0 -120.0 60.0 2
assign (resid 15 and name C) (resid 16 and name N)
(resid 16 and name CA) (resid 16 and name C) 1.0 -60.0 60.0 2
assign (resid 16 and name C) (resid 17 and name N)
(resid 17 and name CA) (resid 17 and name C) 1.0 -60.0 60.0 2
assign (resid 17 and name C) (resid 18 and name N)
(resid 18 and name CA) (resid 18 and name C) 1.0 -60.0 60.0 2
assign (resid 18 and name C) (resid 19 and name N)
(resid 19 and name CA) (resid 19 and name C) 1.0 -60.0 60.0 2
assign (resid 19 and name C) (resid 20 and name N)
(resid 20 and name CA) (resid 20 and name C) 1.0 -120.0 60.0 2
assign (resid 20 and name C) (resid 21 and name N)
(resid 21 and name CA) (resid 21 and name C) 1.0 -120.0 60.0 2
assign (resid 22 and name C) (resid 23 and name N)
(resid 23 and name CA) (resid 23 and name C) 1.0 -120.0 60.0 2
assign (resid 23 and name C) (resid 24 and name N)
(resid 24 and name CA) (resid 24 and name C) 1.0 -60.0 60.0 2
assign (resid 26 and name C) (resid 27 and name N)
(resid 27 and name CA) (resid 27 and name C) 1.0 -60.0 60.0 2
assign (resid 28 and name C) (resid 29 and name N)
(resid 29 and name CA) (resid 29 and name C) 1.0 -60.0 60.0 2
assign (resid 29 and name C) (resid 30 and name N)
(resid 30 and name CA) (resid 30 and name C) 1.0 -60.0 60.0 2
assign (resid 30 and name C) (resid 31 and name N)
(resid 31 and name CA) (resid 31 and name C) 1.0 -60.0 60.0 2
assign (resid 31 and name C) (resid 32 and name N)
(resid 32 and name CA) (resid 32 and name C) 1.0 -120.0 60.0 2
assign (resid 34 and name C) (resid 35 and name N)
(resid 35 and name CA) (resid 35 and name C) 1.0 -120.0 60.0 2
assign (resid 35 and name C) (resid 36 and name N)
(resid 36 and name CA) (resid 36 and name C) 1.0 -60.0 60.0 2
assign (resid 37 and name C) (resid 38 and name N)
(resid 38 and name CA) (resid 38 and name C) 1.0 -120.0 60.0 2
assign (resid 38 and name C) (resid 39 and name N)
(resid 39 and name CA) (resid 39 and name C) 1.0 -120.0 60.0 2
assign (resid 39 and name C) (resid 40 and name N)
(resid 40 and name CA) (resid 40 and name C) 1.0 -120.0 60.0 2
assign (resid 41 and name C) (resid 42 and name N)
(resid 42 and name CA) (resid 42 and name C) 1.0 -120.0 60.0 2
assign (resid 42 and name C) (resid 43 and name N)
(resid 43 and name CA) (resid 43 and name C) 1.0 -120.0 60.0 2
assign (resid 45 and name C) (resid 46 and name N)
(resid 46 and name CA) (resid 46 and name C) 1.0 -60.0 60.0 2
assign (resid 46 and name C) (resid 47 and name N)
(resid 47 and name CA) (resid 47 and name C) 1.0 -120.0 60.0 2
assign (resid 47 and name C) (resid 48 and name N)
(resid 48 and name CA) (resid 48 and name C) 1.0 -120.0 60.0 2
assign (resid 50 and name C) (resid 51 and name N)
(resid 51 and name CA) (resid 51 and name C) 1.0 -120.0 60.0 2
!assign (resid 51 and name C) (resid 52 and name N)
! (resid 52 and name CA) (resid 52 and name C) 1.0 -60.0 60.0 2
assign (resid 52 and name C) (resid 53 and name N)
(resid 53 and name CA) (resid 53 and name C) 1.0 -120.0 60.0 2
assign (resid 53 and name C) (resid 54 and name N)
(resid 54 and name CA) (resid 54 and name C) 1.0 -120.0 60.0 2
assign (resid 54 and name C) (resid 55 and name N)
(resid 55 and name CA) (resid 55 and name C) 1.0 -120.0 60.0 2
assign (resid 55 and name C) (resid 56 and name N)
(resid 56 and name CA) (resid 56 and name C) 1.0 -120.0 60.0 2
assign (resid 57 and name C) (resid 58 and name N)
(resid 58 and name CA) (resid 58 and name C) 1.0 -120.0 60.0 2
assign (resid 60 and name C) (resid 61 and name N)
(resid 61 and name CA) (resid 61 and name C) 1.0 -120.0 60.0 2
assign (resid 62 and name C) (resid 63 and name N)
(resid 63 and name CA) (resid 63 and name C) 1.0 -120.0 60.0 2
assign (resid 63 and name C) (resid 64 and name N)
(resid 64 and name CA) (resid 64 and name C) 1.0 -120.0 60.0 2
assign (resid 64 and name C) (resid 65 and name N)
(resid 65 and name CA) (resid 65 and name C) 1.0 -120.0 60.0 2
assign (resid 66 and name C) (resid 67 and name N)
(resid 67 and name CA) (resid 67 and name C) 1.0 -120.0 60.0 2
assign (resid 67 and name C) (resid 68 and name N)
(resid 68 and name CA) (resid 68 and name C) 1.0 -60.0 60.0 2
assign (resid 68 and name C) (resid 69 and name N)
(resid 69 and name CA) (resid 69 and name C) 1.0 -120.0 60.0 2
assign (resid 71 and name C) (resid 72 and name N)
(resid 72 and name CA) (resid 72 and name C) 1.0 -60.0 60.0 2
assign (resid 72 and name C) (resid 73 and name N)
(resid 73 and name CA) (resid 73 and name C) 1.0 -60.0 60.0 2
assign (resid 73 and name C) (resid 74 and name N)
(resid 74 and name CA) (resid 74 and name C) 1.0 -60.0 60.0 2
assign (resid 74 and name C) (resid 75 and name N)
(resid 75 and name CA) (resid 75 and name C) 1.0 -60.0 60.0 2
assign (resid 75 and name C) (resid 76 and name N)
(resid 76 and name CA) (resid 76 and name C) 1.0 -60.0 60.0 2
assign (resid 76 and name C) (resid 77 and name N)
(resid 77 and name CA) (resid 77 and name C) 1.0 -60.0 60.0 2
assign (resid 77 and name C) (resid 78 and name N)
(resid 78 and name CA) (resid 78 and name C) 1.0 -60.0 60.0 2
assign (resid 78 and name C) (resid 79 and name N)
(resid 79 and name CA) (resid 79 and name C) 1.0 -60.0 60.0 2
assign (resid 81 and name C) (resid 82 and name N)
(resid 82 and name CA) (resid 82 and name C) 1.0 -120.0 60.0 2
assign (resid 82 and name C) (resid 83 and name N)
(resid 83 and name CA) (resid 83 and name C) 1.0 -120.0 60.0 2
!!
!assign (resid 1 and name C) (resid 2 and name N)
! (resid 2 and name CA) (resid 2 and name C) 1.0 -90.0 90.0 2
assign (resid 5 and name C) (resid 6 and name N)
(resid 6 and name CA) (resid 6 and name C) 1.0 -90.0 90.0 2
assign (resid 7 and name C) (resid 8 and name N)
(resid 8 and name CA) (resid 8 and name C) 1.0 -90.0 90.0 2
assign (resid 11 and name C) (resid 12 and name N)
(resid 12 and name CA) (resid 12 and name C) 1.0 -90.0 90.0 2
assign (resid 13 and name C) (resid 14 and name N)
(resid 14 and name CA) (resid 14 and name C) 1.0 -90.0 90.0 2
!assign (resid 21 and name C) (resid 22 and name N)
! (resid 22 and name CA) (resid 22 and name C) 1.0 -90.0 90.0 2
assign (resid 24 and name C) (resid 25 and name N)
(resid 25 and name CA) (resid 25 and name C) 1.0 -90.0 90.0 2
assign (resid 33 and name C) (resid 34 and name N)
(resid 34 and name CA) (resid 34 and name C) 1.0 -90.0 90.0 2
assign (resid 36 and name C) (resid 37 and name N)
(resid 37 and name CA) (resid 37 and name C) 1.0 -90.0 90.0 2
assign (resid 40 and name C) (resid 41 and name N)
(resid 41 and name CA) (resid 41 and name C) 1.0 -90.0 90.0 2
assign (resid 44 and name C) (resid 45 and name N)
(resid 45 and name CA) (resid 45 and name C) 1.0 -90.0 90.0 2
assign (resid 49 and name C) (resid 50 and name N)
(resid 50 and name CA) (resid 50 and name C) 1.0 -90.0 90.0 2
!assign (resid 51 and name C) (resid 52 and name N)
! (resid 52 and name CA) (resid 52 and name C) 1.0 90.0 90.0 2
assign (resid 56 and name C) (resid 57 and name N)
(resid 57 and name CA) (resid 57 and name C) 1.0 -90.0 90.0 2
!assign (resid 58 and name C) (resid 59 and name N)
! (resid 59 and name CA) (resid 59 and name C) 1.0 -90.0 90.0 2
assign (resid 59 and name C) (resid 60 and name N)
(resid 60 and name CA) (resid 60 and name C) 1.0 -90.0 90.0 2
!assign (resid 65 and name C) (resid 66 and name N)
! (resid 66 and name CA) (resid 66 and name C) 1.0 -90.0 90.0 2
assign (resid 69 and name C) (resid 70 and name N)
(resid 70 and name CA) (resid 70 and name C) 1.0 -90.0 90.0 2
assign (resid 70 and name C) (resid 71 and name N)
(resid 71 and name CA) (resid 71 and name C) 1.0 -90.0 90.0 2
assign (resid 79 and name C) (resid 80 and name N)
(resid 80 and name CA) (resid 80 and name C) 1.0 -90.0 90.0 2
assign (resid 80 and name C) (resid 81 and name N)
(resid 81 and name CA) (resid 81 and name C) 1.0 -90.0 90.0 2
assign (resid 32 and name C) (resid 33 and name N)
(resid 33 and name CA) (resid 33 and name C) 1.0 -90.0 90.0 2
!### 14 TYR CHI1 -90.0 -30.0 consistent large violation
!### 30 VAL CHI1 150.0 230.0 NOT CERTAIN, spinning???
!### 31 PHE CHI1 30.0 90.0 miss-ass, angle as below:
!### 58 ILE CHI1 -90.0 -30.0 taken out @run15_asno3, consistent & large!
!!
assign (resid 3 and name N) (resid 3 and name CA)
(resid 3 and name CB) (resid 3 and name CG) 1.0 -60.0 30.0 2
assign (resid 17 and name N) (resid 17 and name CA)
(resid 17 and name CB) (resid 17 and name CG) 1.0 -60.0 30.0 2
assign (resid 19 and name N) (resid 19 and name CA)
(resid 19 and name CB) (resid 19 and name CG) 1.0 -60.0 30.0 2
assign (resid 20 and name N) (resid 20 and name CA)
(resid 20 and name CB) (resid 20 and name CG) 1.0 -60.0 30.0 2
assign (resid 24 and name N) (resid 24 and name CA)
(resid 24 and name CB) (resid 24 and name SG) 1.0 190.0 40.0 2
assign (resid 25 and name N) (resid 25 and name CA)
(resid 25 and name CB) (resid 25 and name CG) 1.0 -60.0 30.0 2
assign (resid 27 and name N) (resid 27 and name CA)
(resid 27 and name CB) (resid 27 and name SG) 1.0 60.0 30.0 2
assign (resid 29 and name N) (resid 29 and name CA)
(resid 29 and name CB) (resid 29 and name SG) 1.0 60.0 30.0 2
assign (resid 31 and name N) (resid 31 and name CA)
(resid 31 and name CB) (resid 31 and name CG) 1.0 -60.0 30.0 2
assign (resid 35 and name N) (resid 35 and name CA)
(resid 35 and name CB) (resid 35 and name CG1) 1.0 190.0 40.0 2
assign (resid 38 and name N) (resid 38 and name CA)
(resid 38 and name CB) (resid 38 and name CG) 1.0 -60.0 30.0 2
assign (resid 39 and name N) (resid 39 and name CA)
(resid 39 and name CB) (resid 39 and name CG) 1.0 -60.0 30.0 2
assign (resid 40 and name N) (resid 40 and name CA)
(resid 40 and name CB) (resid 40 and name SG) 1.0 190.0 40.0 2
assign (resid 42 and name N) (resid 42 and name CA)
(resid 42 and name CB) (resid 42 and name CG) 1.0 -60.0 30.0 2
assign (resid 43 and name N) (resid 43 and name CA)
(resid 43 and name CB) (resid 43 and name SG) 1.0 60.0 30.0 2
assign (resid 45 and name N) (resid 45 and name CA)
(resid 45 and name CB) (resid 45 and name CG) 1.0 -60.0 30.0 2
assign (resid 46 and name N) (resid 46 and name CA)
(resid 46 and name CB) (resid 46 and name CG1) 1.0 190.0 40.0 2
assign (resid 47 and name N) (resid 47 and name CA)
(resid 47 and name CB) (resid 47 and name CG) 1.0 -60.0 30.0 2
assign (resid 48 and name N) (resid 48 and name CA)
(resid 48 and name CB) (resid 48 and name SG) 1.0 60.0 30.0 2
assign (resid 50 and name N) (resid 50 and name CA)
(resid 50 and name CB) (resid 50 and name CG) 1.0 -60.0 30.0 2
assign (resid 51 and name N) (resid 51 and name CA)
(resid 51 and name CB) (resid 51 and name SG) 1.0 -60.0 30.0 2
assign (resid 52 and name N) (resid 52 and name CA)
(resid 52 and name CB) (resid 52 and name OG) 1.0 60.0 30.0 2
assign (resid 54 and name N) (resid 54 and name CA)
(resid 54 and name CB) (resid 54 and name CG) 1.0 -60.0 30.0 2
assign (resid 55 and name N) (resid 55 and name CA)
(resid 55 and name CB) (resid 55 and name CG) 1.0 -60.0 30.0 2
assign (resid 61 and name N) (resid 61 and name CA)
(resid 61 and name CB) (resid 61 and name CG) 1.0 -60.0 30.0 2
assign (resid 63 and name N) (resid 63 and name CA)
(resid 63 and name CB) (resid 63 and name CG1) 1.0 -60.0 30.0 2
assign (resid 65 and name N) (resid 65 and name CA)
(resid 65 and name CB) (resid 65 and name CG) 1.0 -60.0 30.0 2
assign (resid 67 and name N) (resid 67 and name CA)
(resid 67 and name CB) (resid 67 and name CG) 1.0 -60.0 30.0 2
assign (resid 69 and name N) (resid 69 and name CA)
(resid 69 and name CB) (resid 69 and name CG1) 1.0 -60.0 30.0 2
assign (resid 70 and name N) (resid 70 and name CA)
(resid 70 and name CB) (resid 70 and name SG) 1.0 60.0 30.0 2
assign (resid 73 and name N) (resid 73 and name CA)
(resid 73 and name CB) (resid 73 and name SG) 1.0 -60.0 30.0 2
assign (resid 75 and name N) (resid 75 and name CA)
(resid 75 and name CB) (resid 75 and name CG) 1.0 -60.0 30.0 2
assign (resid 77 and name N) (resid 77 and name CA)
(resid 77 and name CB) (resid 77 and name CG) 1.0 -60.0 30.0 2
assign (resid 82 and name N) (resid 82 and name CA)
(resid 82 and name CB) (resid 82 and name CG) 1.0 -60.0 30.0 2
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