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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521802 |
2le3   |
17690 | cing | 1-original | 4 | XPLOR/CNS | dihedral angle |
! experimental Chi1 rotamers
! note Phe10 is averaged
assign (resid 12 and name N)
(resid 12 and name CA)
(resid 12 and name CB)
(resid 12 and name CG) 1.00 180.000 30.000 2
assign (resid 25 and name N)
(resid 25 and name CA)
(resid 25 and name CB)
(resid 25 and name CG) 1.00 -60.000 60.000 2
assign (resid 28 and name N)
(resid 28 and name CA)
(resid 28 and name CB)
(resid 28 and name CG) 1.00 -60.000 30.000 2
assign (resid 30 and name N)
(resid 30 and name CA)
(resid 30 and name CB)
(resid 30 and name CG) 1.00 -60.000 60.000 2
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 30.000 2
assign (resid 33 and name N)
(resid 33 and name CA)
(resid 33 and name CB)
(resid 33 and name CG) 1.00 -60.000 60.000 2
assign (resid 37 and name N)
(resid 37 and name CA)
(resid 37 and name CB)
(resid 37 and name CG) 1.00 -60.000 60.000 2
! empirical, immerse F10/F12 rings
assign (resid 10 and name CA)
(resid 10 and name CB)
(resid 10 and name CG)
(resid 10 and name CD1) 1.00 0.000 30.000 2
assign (resid 12 and name CA)
(resid 12 and name CB)
(resid 12 and name CG)
(resid 12 and name CD1) 1.00 0.000 30.000 2
! talos+ predictions, 2 stddev range
assign (resid 7 and name c) (resid 8 and name n)
(resid 8 and name ca) (resid 8 and name c) 1.0 -91.0 40.0 2
assign (resid 8 and name n) (resid 8 and name ca)
(resid 8 and name c) (resid 9 and name n) 1.0 123.0 42.0 2
assign (resid 8 and name c) (resid 9 and name n)
(resid 9 and name ca) (resid 9 and name c) 1.0 -97.0 26.0 2
assign (resid 9 and name n) (resid 9 and name ca)
(resid 9 and name c) (resid 10 and name n) 1.0 -28.0 30.0 2
assign (resid 9 and name c) (resid 10 and name n)
(resid 10 and name ca) (resid 10 and name c) 1.0 -134.0 30.0 2
assign (resid 10 and name n) (resid 10 and name ca)
(resid 10 and name c) (resid 11 and name n) 1.0 147.0 20.0 2
assign (resid 10 and name c) (resid 11 and name n)
(resid 11 and name ca) (resid 11 and name c) 1.0 -133.3 50.5 2
assign (resid 11 and name n) (resid 11 and name ca)
(resid 11 and name c) (resid 12 and name n) 1.0 130.6 22.7 2
assign (resid 11 and name c) (resid 12 and name n)
(resid 12 and name ca) (resid 12 and name c) 1.0 -121.3 20.9 2
assign (resid 12 and name n) (resid 12 and name ca)
(resid 12 and name c) (resid 13 and name n) 1.0 129.0 16.4 2
assign (resid 12 and name c) (resid 13 and name n)
(resid 13 and name ca) (resid 13 and name c) 1.0 -111.4 30.3 2
assign (resid 13 and name n) (resid 13 and name ca)
(resid 13 and name c) (resid 14 and name n) 1.0 127.4 23.5 2
assign (resid 13 and name c) (resid 14 and name n)
(resid 14 and name ca) (resid 14 and name c) 1.0 -111.2 13.7 2
assign (resid 14 and name n) (resid 14 and name ca)
(resid 14 and name c) (resid 15 and name n) 1.0 121.1 21.7 2
assign (resid 14 and name c) (resid 15 and name n)
(resid 15 and name ca) (resid 15 and name c) 1.0 -93.0 42.0 2
assign (resid 15 and name n) (resid 15 and name ca)
(resid 15 and name c) (resid 16 and name n) 1.0 138.0 48.0 2
assign (resid 15 and name c) (resid 16 and name n)
(resid 16 and name ca) (resid 16 and name c) 1.0 -59.0 22.0 2
assign (resid 16 and name n) (resid 16 and name ca)
(resid 16 and name c) (resid 17 and name n) 1.0 -27.0 20.0 2
assign (resid 16 and name c) (resid 17 and name n)
(resid 17 and name ca) (resid 17 and name c) 1.0 -86.0 34.0 2
assign (resid 17 and name n) (resid 17 and name ca)
(resid 17 and name c) (resid 18 and name n) 1.0 -8.0 20.0 2
! G18 talos+ prediction is wrong
!assign (resid 17 and name c) (resid 18 and name n)
! (resid 18 and name ca) (resid 18 and name c) 1.0 70.0 22.0 2
!assign (resid 18 and name n) (resid 18 and name ca)
! (resid 18 and name c) (resid 19 and name n) 1.0 38.0 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 -133.0 26.0 2
assign (resid 19 and name n) (resid 19 and name ca)
(resid 19 and name c) (resid 20 and name n) 1.0 162.0 12.0 2
assign (resid 19 and name c) (resid 20 and name n)
(resid 20 and name ca) (resid 20 and name c) 1.0 -128.8 31.1 2
assign (resid 20 and name n) (resid 20 and name ca)
(resid 20 and name c) (resid 21 and name n) 1.0 123.0 16.7 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 27.9 2
assign (resid 21 and name n) (resid 21 and name ca)
(resid 21 and name c) (resid 22 and name n) 1.0 130.8 30.0 2
assign (resid 21 and name c) (resid 22 and name n)
(resid 22 and name ca) (resid 22 and name c) 1.0 -114.8 25.3 2
assign (resid 22 and name n) (resid 22 and name ca)
(resid 22 and name c) (resid 23 and name n) 1.0 131.8 28.2 2
assign (resid 22 and name c) (resid 23 and name n)
(resid 23 and name ca) (resid 23 and name c) 1.0 -131.1 26.9 2
assign (resid 23 and name n) (resid 23 and name ca)
(resid 23 and name c) (resid 24 and name n) 1.0 141.7 30.9 2
assign (resid 23 and name c) (resid 24 and name n)
(resid 24 and name ca) (resid 24 and name c) 1.0 -81.4 19.4 2
assign (resid 24 and name n) (resid 24 and name ca)
(resid 24 and name c) (resid 25 and name n) 1.0 165.1 22.7 2
assign (resid 24 and name c) (resid 25 and name n)
(resid 25 and name ca) (resid 25 and name c) 1.0 -59.8 8.9 2
assign (resid 25 and name n) (resid 25 and name ca)
(resid 25 and name c) (resid 26 and name n) 1.0 -37.4 9.9 2
assign (resid 25 and name c) (resid 26 and name n)
(resid 26 and name ca) (resid 26 and name c) 1.0 -71.2 13.9 2
assign (resid 26 and name n) (resid 26 and name ca)
(resid 26 and name c) (resid 27 and name n) 1.0 -37.8 16.1 2
assign (resid 26 and name c) (resid 27 and name n)
(resid 27 and name ca) (resid 27 and name c) 1.0 -64.5 6.2 2
assign (resid 27 and name n) (resid 27 and name ca)
(resid 27 and name c) (resid 28 and name n) 1.0 -39.6 12.6 2
assign (resid 27 and name c) (resid 28 and name n)
(resid 28 and name ca) (resid 28 and name c) 1.0 -66.7 8.6 2
assign (resid 28 and name n) (resid 28 and name ca)
(resid 28 and name c) (resid 29 and name n) 1.0 -38.2 12.1 2
assign (resid 28 and name c) (resid 29 and name n)
(resid 29 and name ca) (resid 29 and name c) 1.0 -61.0 8.0 2
assign (resid 29 and name n) (resid 29 and name ca)
(resid 29 and name c) (resid 30 and name n) 1.0 -43.0 10.0 2
assign (resid 29 and name c) (resid 30 and name n)
(resid 30 and name ca) (resid 30 and name c) 1.0 -64.5 8.5 2
assign (resid 30 and name n) (resid 30 and name ca)
(resid 30 and name c) (resid 31 and name n) 1.0 -38.8 11.1 2
assign (resid 30 and name c) (resid 31 and name n)
(resid 31 and name ca) (resid 31 and name c) 1.0 -64.7 10.3 2
assign (resid 31 and name n) (resid 31 and name ca)
(resid 31 and name c) (resid 32 and name n) 1.0 -43.0 11.7 2
assign (resid 31 and name c) (resid 32 and name n)
(resid 32 and name ca) (resid 32 and name c) 1.0 -62.7 9.8 2
assign (resid 32 and name n) (resid 32 and name ca)
(resid 32 and name c) (resid 33 and name n) 1.0 -42.4 11.8 2
assign (resid 32 and name c) (resid 33 and name n)
(resid 33 and name ca) (resid 33 and name c) 1.0 -60.7 15.6 2
assign (resid 33 and name n) (resid 33 and name ca)
(resid 33 and name c) (resid 34 and name n) 1.0 -39.1 7.9 2
assign (resid 33 and name c) (resid 34 and name n)
(resid 34 and name ca) (resid 34 and name c) 1.0 -69.0 23.6 2
assign (resid 34 and name n) (resid 34 and name ca)
(resid 34 and name c) (resid 35 and name n) 1.0 -34.1 16.8 2
assign (resid 34 and name c) (resid 35 and name n)
(resid 35 and name ca) (resid 35 and name c) 1.0 -65.8 18.7 2
assign (resid 35 and name n) (resid 35 and name ca)
(resid 35 and name c) (resid 36 and name n) 1.0 -41.1 16.8 2
assign (resid 35 and name c) (resid 36 and name n)
(resid 36 and name ca) (resid 36 and name c) 1.0 -67.0 20.0 2
assign (resid 36 and name n) (resid 36 and name ca)
(resid 36 and name c) (resid 37 and name n) 1.0 -36.0 16.0 2
assign (resid 36 and name c) (resid 37 and name n)
(resid 37 and name ca) (resid 37 and name c) 1.0 -88.0 34.0 2
assign (resid 37 and name n) (resid 37 and name ca)
(resid 37 and name c) (resid 38 and name n) 1.0 -12.0 28.0 2
assign (resid 37 and name c) (resid 38 and name n)
(resid 38 and name ca) (resid 38 and name c) 1.0 -80.0 46.0 2
assign (resid 38 and name n) (resid 38 and name ca)
(resid 38 and name c) (resid 39 and name n) 1.0 -22.0 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 -102.0 34.0 2
assign (resid 39 and name n) (resid 39 and name ca)
(resid 39 and name c) (resid 40 and name n) 1.0 3.0 38.0 2
assign (resid 39 and name c) (resid 40 and name n)
(resid 40 and name ca) (resid 40 and name c) 1.0 -62.0 152.0 2
assign (resid 40 and name n) (resid 40 and name ca)
(resid 40 and name c) (resid 41 and name n) 1.0 142.0 78.0 2
assign (resid 40 and name c) (resid 41 and name n)
(resid 41 and name ca) (resid 41 and name c) 1.0 -80.0 18.0 2
assign (resid 41 and name n) (resid 41 and name ca)
(resid 41 and name c) (resid 42 and name n) 1.0 123.0 42.0 2
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