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 |
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11476 |
1rjt   |
6038 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
!Phi (top) and psi (bottom) angles
! what the 4 numbers at the end of the assign statement mean:
! 1: energy constant
! 2: dihedral angle
! 3: allowed range around dihedral angle
! 4: exponent of the restraining function
! For 8 < J < 9: phi=-120 +/- 40
! For J > 9: phi=-120 +/- 30
! for b: phi=-120 +/- 30 psi=120 +/- 40
! for a: phi=-60 +/- 30 psi=-40 +/- 40
!!strand 1: residues 25-31
assign (resid 25 and name N ) (resid 25 and name CA )
(resid 25 and name C ) (resid 26 and name N ) 1.0 120 40 2
assign (resid 25 and name C ) (resid 26 and name N )
(resid 26 and name CA ) (resid 26 and name C ) 1.0 -120 30 2
assign (resid 26 and name N ) (resid 26 and name CA )
(resid 26 and name C ) (resid 27 and name N ) 1.0 120 40 2
assign (resid 26 and name C ) (resid 27 and name N )
(resid 27 and name CA ) (resid 27 and name C ) 1.0 -120 30 2
assign (resid 27 and name N ) (resid 27 and name CA )
(resid 27 and name C ) (resid 28 and name N ) 1.0 120 40 2
assign (resid 27 and name C ) (resid 28 and name N )
(resid 28 and name CA ) (resid 28 and name C ) 1.0 -120 30 2
assign (resid 28 and name N ) (resid 28 and name CA )
(resid 28 and name C ) (resid 29 and name N ) 1.0 120 40 2
assign (resid 28 and name C ) (resid 29 and name N )
(resid 29 and name CA ) (resid 29 and name C ) 1.0 -120 30 2
assign (resid 29 and name N ) (resid 29 and name CA )
(resid 29 and name C ) (resid 30 and name N ) 1.0 120 40 2
assign (resid 29 and name C ) (resid 30 and name N )
(resid 30 and name CA ) (resid 30 and name C ) 1.0 -120 30 2
assign (resid 30 and name N ) (resid 30 and name CA )
(resid 30 and name C ) (resid 31 and name N ) 1.0 120 40 2
assign (resid 30 and name C ) (resid 31 and name N )
(resid 31 and name CA ) (resid 31 and name C ) 1.0 -120 30 2
assign (resid 31 and name N ) (resid 31 and name CA )
(resid 31 and name C ) (resid 32 and name N ) 1.0 120 40 2
!
!!strand 2: residues 39-46
assign (resid 37 and name C ) (resid 38 and name N )
(resid 38 and name CA ) (resid 38 and name C ) 1.0 -120 30 2
assign (resid 38 and name N ) (resid 38 and name CA )
(resid 38 and name C ) (resid 39 and name N ) 1.0 120 40 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 30 2
assign (resid 39 and name N ) (resid 39 and name CA )
(resid 39 and name C ) (resid 40 and name N ) 1.0 120 40 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 30 2
assign (resid 40 and name N ) (resid 40 and name CA )
(resid 40 and name C ) (resid 41 and name N ) 1.0 120 40 2
assign (resid 40 and name C ) (resid 41 and name N )
(resid 41 and name CA ) (resid 41 and name C ) 1.0 -120 30 2
assign (resid 41 and name N ) (resid 41 and name CA )
(resid 41 and name C ) (resid 42 and name N ) 1.0 120 40 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 30 2
assign (resid 42 and name N ) (resid 42 and name CA )
(resid 42 and name C ) (resid 43 and name N ) 1.0 120 40 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 30 2
assign (resid 43 and name N ) (resid 43 and name CA )
(resid 43 and name C ) (resid 44 and name N ) 1.0 120 40 2
assign (resid 43 and name C ) (resid 44 and name N )
(resid 44 and name CA ) (resid 44 and name C ) 1.0 -120 30 2
assign (resid 44 and name N ) (resid 44 and name CA )
(resid 44 and name C ) (resid 45 and name N ) 1.0 120 40 2
assign (resid 44 and name C ) (resid 45 and name N )
(resid 45 and name CA ) (resid 45 and name C ) 1.0 -120 30 2
assign (resid 45 and name N ) (resid 45 and name CA )
(resid 45 and name C ) (resid 46 and name N ) 1.0 120 40 2
assign (resid 45 and name C ) (resid 46 and name N )
(resid 46 and name CA ) (resid 46 and name C ) 1.0 -120 30 2
!!strand 3: residues 51-54
assign (resid 50 and name C ) (resid 51 and name N )
(resid 51 and name CA ) (resid 51 and name C ) 1.0 -120 30 2
assign (resid 51 and name N ) (resid 51 and name CA )
(resid 51 and name C ) (resid 52 and name N ) 1.0 120 40 2
assign (resid 51 and name C ) (resid 52 and name N )
(resid 52 and name CA ) (resid 52 and name C ) 1.0 -120 30 2
assign (resid 52 and name N ) (resid 52 and name CA )
(resid 52 and name C ) (resid 53 and name N ) 1.0 120 40 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 30 2
assign (resid 53 and name N ) (resid 53 and name CA )
(resid 53 and name C ) (resid 54 and name N ) 1.0 120 40 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 30 2
!
!Phi (top) and psi (bottom) angles for a-helix
!helix 61-70
assign (resid 60 and name C ) (resid 61 and name N )
(resid 61 and name CA ) (resid 61 and name C ) 1.0 -60 30 2
assign (resid 61 and name N ) (resid 61 and name CA )
(resid 61 and name C ) (resid 62 and name N ) 1.0 -40 40 2
assign (resid 61 and name C ) (resid 62 and name N )
(resid 62 and name CA ) (resid 62 and name C ) 1.0 -60 30 2
assign (resid 62 and name N ) (resid 62 and name CA )
(resid 62 and name C ) (resid 63 and name N ) 1.0 -40 40 2
assign (resid 62 and name C ) (resid 63 and name N )
(resid 63 and name CA ) (resid 63 and name C ) 1.0 -60 30 2
assign (resid 63 and name N ) (resid 63 and name CA )
(resid 63 and name C ) (resid 64 and name N ) 1.0 -40 40 2
assign (resid 63 and name C ) (resid 64 and name N )
(resid 64 and name CA ) (resid 64 and name C ) 1.0 -60 30 2
assign (resid 64 and name N ) (resid 64 and name CA )
(resid 64 and name C ) (resid 65 and name N ) 1.0 -40 40 2
assign (resid 64 and name C ) (resid 65 and name N )
(resid 65 and name CA ) (resid 65 and name C ) 1.0 -60 30 2
assign (resid 65 and name N ) (resid 65 and name CA )
(resid 65 and name C ) (resid 66 and name N ) 1.0 -40 40 2
assign (resid 65 and name C ) (resid 66 and name N )
(resid 66 and name CA ) (resid 66 and name C ) 1.0 -60 30 2
assign (resid 66 and name N ) (resid 66 and name CA )
(resid 66 and name C ) (resid 67 and name N ) 1.0 -40 40 2
assign (resid 66 and name C ) (resid 67 and name N )
(resid 67 and name CA ) (resid 67 and name C ) 1.0 -60 30 2
assign (resid 67 and name N ) (resid 67 and name CA )
(resid 67 and name C ) (resid 68 and name N ) 1.0 -40 40 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 30 2
assign (resid 68 and name N ) (resid 68 and name CA )
(resid 68 and name C ) (resid 69 and name N ) 1.0 -40 40 2
assign (resid 68 and name C ) (resid 69 and name N )
(resid 69 and name CA ) (resid 69 and name C ) 1.0 -60 30 2
assign (resid 69 and name N ) (resid 69 and name CA )
(resid 69 and name C ) (resid 70 and name N ) 1.0 -40 40 2
assign (resid 69 and name C ) (resid 70 and name N )
(resid 70 and name CA ) (resid 70 and name C ) 1.0 -60 30
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