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 |
|
|
599093 |
2n8h   |
26674 | cing | 1-original | 1 | XPLOR/CNS | dihedral angle |
! Phi/Psi Angles From 'Strong' TALOS-N Predictions:
! error margins are set to conservative default values of double the
! standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
assign (resid 4 and name C ) (resid 5 and name N )
(resid 5 and name CA ) (resid 5 and name C ) 1.0 -72.8 21.9 2
assign (resid 6 and name C ) (resid 7 and name N )
(resid 7 and name CA ) (resid 7 and name C ) 1.0 92.7 20.0 2
assign (resid 7 and name N ) (resid 7 and name CA )
(resid 7 and name C ) (resid 8 and name N ) 1.0 -7.7 20.0 2
assign (resid 7 and name C ) (resid 8 and name N )
(resid 8 and name CA ) (resid 8 and name C ) 1.0 -75.0 24.9 2
assign (resid 8 and name N ) (resid 8 and name CA )
(resid 8 and name C ) (resid 9 and name N ) 1.0 132.7 20.0 2
assign (resid 8 and name C ) (resid 9 and name N )
(resid 9 and name CA ) (resid 9 and name C ) 1.0 -87.7 24.7 2
assign (resid 9 and name N ) (resid 9 and name CA )
(resid 9 and name C ) (resid 10 and name N ) 1.0 129.5 20.0 2
assign (resid 15 and name C ) (resid 16 and name N )
(resid 16 and name CA ) (resid 16 and name C ) 1.0 -88.3 43.9 2
assign (resid 16 and name N ) (resid 16 and name CA )
(resid 16 and name C ) (resid 17 and name N ) 1.0 131.9 39.0 2
assign (resid 16 and name C ) (resid 17 and name N )
(resid 17 and name CA ) (resid 17 and name C ) 1.0 -85.9 23.8 2
assign (resid 17 and name N ) (resid 17 and name CA )
(resid 17 and name C ) (resid 18 and name N ) 1.0 111.1 26.1 2
assign (resid 18 and name N ) (resid 18 and name CA )
(resid 18 and name C ) (resid 19 and name N ) 1.0 -20.7 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 -89.2 20.0 2
assign (resid 19 and name N ) (resid 19 and name CA )
(resid 19 and name C ) (resid 20 and name N ) 1.0 -7.6 20.0 2
assign (resid 21 and name N ) (resid 21 and name CA )
(resid 21 and name C ) (resid 22 and name N ) 1.0 140.0 25.8 2
assign (resid 21 and name C ) (resid 22 and name N )
(resid 22 and name CA ) (resid 22 and name C ) 1.0 -81.8 32.2 2
assign (resid 22 and name N ) (resid 22 and name CA )
(resid 22 and name C ) (resid 23 and name N ) 1.0 129.4 28.0 2
assign (resid 22 and name C ) (resid 23 and name N )
(resid 23 and name CA ) (resid 23 and name C ) 1.0 -80.4 21.5 2
assign (resid 23 and name N ) (resid 23 and name CA )
(resid 23 and name C ) (resid 24 and name N ) 1.0 114.5 22.4 2
assign (resid 23 and name C ) (resid 24 and name N )
(resid 24 and name CA ) (resid 24 and name C ) 1.0 -69.3 20.0 2
assign (resid 24 and name N ) (resid 24 and name CA )
(resid 24 and name C ) (resid 25 and name N ) 1.0 -27.4 20.0 2
assign (resid 24 and name C ) (resid 25 and name N )
(resid 25 and name CA ) (resid 25 and name C ) 1.0 -73.6 20.4 2
assign (resid 25 and name N ) (resid 25 and name CA )
(resid 25 and name C ) (resid 26 and name N ) 1.0 -40.0 20.0 2
assign (resid 26 and name N ) (resid 26 and name CA )
(resid 26 and name C ) (resid 27 and name N ) 1.0 -8.1 20.0 2
assign (resid 28 and name N ) (resid 28 and name CA )
(resid 28 and name C ) (resid 29 and name N ) 1.0 154.4 20.0 2
assign (resid 30 and name N ) (resid 30 and name CA )
(resid 30 and name C ) (resid 31 and name N ) 1.0 151.1 28.4 2
assign (resid 30 and name C ) (resid 31 and name N )
(resid 31 and name CA ) (resid 31 and name C ) 1.0 -67.9 20.3 2
assign (resid 31 and name N ) (resid 31 and name CA )
(resid 31 and name C ) (resid 32 and name N ) 1.0 134.8 24.5 2
! Phi/Psi Angles From 'Generous' TALOS-N Predictions:
! error margins are set to default values of triple the standard
! deviation observed in TALOS-N capped at a minimum of +/-20 degree.
assign (resid 1 and name C ) (resid 2 and name N )
(resid 2 and name CA ) (resid 2 and name C ) 1.0 -66.1 30.0 2
assign (resid 2 and name N ) (resid 2 and name CA )
(resid 2 and name C ) (resid 3 and name N ) 1.0 137.8 30.9 2
assign (resid 2 and name C ) (resid 3 and name N )
(resid 3 and name CA ) (resid 3 and name C ) 1.0 -116.3 55.0 2
assign (resid 3 and name N ) (resid 3 and name CA )
(resid 3 and name C ) (resid 4 and name N ) 1.0 140.5 47.2 2
assign (resid 28 and name C ) (resid 29 and name N )
(resid 29 and name CA ) (resid 29 and name C ) 1.0 -79.9 33.5 2
assign (resid 29 and name N ) (resid 29 and name CA )
(resid 29 and name C ) (resid 30 and name N ) 1.0 119.7 66.5 2
! From 3Jna
assign (resid 2 and name C ) (resid 3 and name N )
(resid 3 and name CA ) (resid 3 and name C ) 1.0 -120 40 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 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 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 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 40 2
! CHI1
assign (resid 5 and name N ) (resid 5 and name CA)
(resid 5 and name CB) (resid 5 and name CG) 1.0 -60 60 2
assign (resid 14 and name N ) (resid 14 and name CA)
(resid 14 and name CB) (resid 14 and name CG) 1.0 -60 60 2
assign (resid 17 and name N ) (resid 17 and name CA)
(resid 17 and name CB) (resid 17 and name SG) 1.0 -60 60 2
assign (resid 18 and name N ) (resid 18 and name CA)
(resid 18 and name CB) (resid 18 and name SG) 1.0 -60 60 2
assign (resid 22 and name N ) (resid 22 and name CA)
(resid 22 and name CB) (resid 22 and name SG) 1.0 -60 60 2
assign (resid 23 and name N ) (resid 23 and name CA)
(resid 23 and name CB) (resid 23 and name CG) 1.0 -60 60 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 60 2
assign (resid 30 and name N ) (resid 30 and name CA)
(resid 30 and name CB) (resid 30 and name CG) 1.0 -60 60 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 60 2
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