NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
652922 |
6jpd   |
cing | 1-original | 5 | XPLOR/CNS | dihedral angle |
! Phi/Psi Angles From 'Strong' TALOS-N Predictions (from CDIH4.tbl) and Chi:
! error margins are set to conservative default values of double the
! standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
! removed values not consistent with TALOS+ more than +/- 20 degree. add 15 degree error for the rest. remove ones with error bigger than 100
assign ( resid 1 and name C ) ( resid 2 and name N )
( resid 2 and name CA ) ( resid 2 and name C ) 1.0 -106.4 35.0 2
assign ( resid 2 and name N ) ( resid 2 and name CA )
( resid 2 and name C ) ( resid 3 and name N ) 1.0 129.8 35.0 2
assign ( resid 2 and name C ) ( resid 3 and name N )
( resid 3 and name CA ) ( resid 3 and name C ) 1.0 -73.5 66.2 2
assign ( resid 3 and name N ) ( resid 3 and name CA )
( resid 3 and name C ) ( resid 4 and name N ) 1.0 135.6 41.1 2
assign ( resid 3 and name C ) ( resid 4 and name N )
( resid 4 and name CA ) ( resid 4 and name C ) 1.0 -115.4 73.6 2
assign ( resid 5 and name C ) ( resid 6 and name N )
( resid 6 and name CA ) ( resid 6 and name C ) 1.0 -118.4 70.2 2
assign ( resid 6 and name N ) ( resid 6 and name CA )
( resid 6 and name C ) ( resid 7 and name N ) 1.0 163.9 35.0 2
assign ( resid 6 and name C ) ( resid 7 and name N )
( resid 7 and name CA ) ( resid 7 and name C ) 1.0 56.4 35.0 2
assign ( resid 7 and name N ) ( resid 7 and name CA )
( resid 7 and name C ) ( resid 8 and name N ) 1.0 41.7 35.0 2
assign ( resid 7 and name C ) ( resid 8 and name N )
( resid 8 and name CA ) ( resid 8 and name C ) 1.0 -116.4 22.3 2
assign ( resid 8 and name N ) ( resid 8 and name CA )
( resid 8 and name C ) ( resid 9 and name N ) 1.0 145.1 35.8 2
assign ( resid 8 and name C ) ( resid 9 and name N )
( resid 9 and name CA ) ( resid 9 and name C ) 1.0 -116.2 46.8 2
assign ( resid 9 and name N ) ( resid 9 and name CA )
( resid 9 and name C ) ( resid 10 and name N ) 1.0 139.6 37.0 2
assign ( resid 9 and name C ) ( resid 10 and name N )
( resid 10 and name CA ) ( resid 10 and name C ) 1.0 -114.3 35.7 2
assign ( resid 10 and name N ) ( resid 10 and name CA )
( resid 10 and name C ) ( resid 11 and name N ) 1.0 124.5 35.0 2
assign ( resid 11 and name N ) ( resid 11 and name CA )
( resid 11 and name C ) ( resid 12 and name N ) 1.0 168.8 52.2 2
assign ( resid 11 and name C ) ( resid 12 and name N )
( resid 12 and name CA ) ( resid 12 and name C ) 1.0 -101.9 75.1 2
assign ( resid 12 and name N ) ( resid 12 and name CA )
( resid 12 and name C ) ( resid 13 and name N ) 1.0 157.2 35.0 2
assign ( resid 12 and name C ) ( resid 13 and name N )
( resid 13 and name CA ) ( resid 13 and name C ) 1.0 63.6 35.0 2
assign ( resid 13 and name N ) ( resid 13 and name CA )
( resid 13 and name C ) ( resid 14 and name N ) 1.0 28.5 39.1 2
assign ( resid 13 and name C ) ( resid 14 and name N )
( resid 14 and name CA ) ( resid 14 and name C ) 1.0 -77.2 36.0 2
assign ( resid 14 and name C ) ( resid 15 and name N )
( resid 15 and name CA ) ( resid 15 and name C ) 1.0 -115.4 55.4 2
assign ( resid 15 and name N ) ( resid 15 and name CA )
( resid 15 and name C ) ( resid 16 and name N ) 1.0 128.0 53.2 2
assign ( resid 15 and name C ) ( resid 16 and name N )
( resid 16 and name CA ) ( resid 16 and name C ) 1.0 -103.3 42.5 2
assign ( resid 16 and name N ) ( resid 16 and name CA )
( resid 16 and name C ) ( resid 17 and name N ) 1.0 129.6 35.0 2
assign ( resid 17 and name N ) ( resid 17 and name CA )
( resid 17 and name C ) ( resid 18 and name N ) 1.0 134.4 48.4 2
assign ( resid 17 and name C ) ( resid 18 and name N )
( resid 18 and name CA ) ( resid 18 and name C ) 1.0 -68.8 45.4 2
assign ( resid 18 and name N ) ( resid 18 and name CA )
( resid 18 and name C ) ( resid 19 and name N ) 1.0 146.9 47.3 2
assign ( resid 18 and name C ) ( resid 19 and name N )
( resid 19 and name CA ) ( resid 19 and name C ) 1.0 -61.4 35.0 2
assign ( resid 19 and name N ) ( resid 19 and name CA )
( resid 19 and name C ) ( resid 20 and name N ) 1.0 147.4 35.0 2
assign ( resid 19 and name C ) ( resid 20 and name N )
( resid 20 and name CA ) ( resid 20 and name C ) 1.0 -64.4 35.0 2
assign ( resid 20 and name N ) ( resid 20 and name CA )
( resid 20 and name C ) ( resid 21 and name N ) 1.0 151.1 35.0 2
!!chi
!!10
assign (resid 10 and name n) (resid 10 and name ca)
(resid 10 and name cb) (resid 10 and name cg1) 1.0 -58.1 6.6 2
!!13
assign (resid 13 and name n) (resid 13 and name ca)
(resid 13 and name cb) (resid 13 and name cg) 1.0 -52.9 12.3 2
!!14
assign (resid 14 and name n) (resid 14 and name ca)
(resid 14 and name cb) (resid 14 and name cg) 1.0 -69.4 11.8 2
!!16
assign (resid 16 and name n) (resid 16 and name ca)
(resid 16 and name cb) (resid 16 and name cg) 1.0 177.9 8.0 2
!!17
assign (resid 17 and name n) (resid 17 and name ca)
(resid 17 and name cb) (resid 17 and name cg1) 1.0 -177.6 17.0 2
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