NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
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|
532817 |
2kds   |
cing | 1-original | 2 | XPLOR/CNS | distance | hydrogen bond | ambi |
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!! Hydrogen Bond Restraints
!!! derived from HX
!assign (resid 7 and name N) (resid 4 and name O) 3.2 1.0 0.0
!assign (resid 7 and name HN) (resid 4 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
!assign (resid 8 and name N) (resid 24 and name O) 3.2 1.0 0.0
!assign (resid 8 and name HN) (resid 24 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
assign (resid 10 and name N) (resid 22 and name O) 3.2 1.0 0.0
assign (resid 10 and name HN) (resid 22 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
assign (resid 11 and name N) (resid 55 and name O) 3.2 1.0 0.0
assign (resid 11 and name HN) (resid 55 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
assign (resid 12 and name N) (resid 20 and name O) 3.2 1.0 0.0
assign (resid 12 and name HN) (resid 20 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
assign (resid 22 and name N) (resid 10 and name O) 3.2 1.0 0.0
assign (resid 22 and name HN) (resid 10 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
assign (resid 23 and name N) (resid 36 and name O) 3.2 1.0 0.0
assign (resid 23 and name HN) (resid 36 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
assign (resid 24 and name N) (resid 8 and name O) 3.2 1.0 0.0
assign (resid 24 and name HN) (resid 8 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
assign (resid 25 and name N) (resid 34 and name O) 3.2 1.0 0.0
assign (resid 25 and name HN) (resid 34 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
!assign (resid 32 and name N) (resid 29 and name O) 3.2 1.0 0.0
!assign (resid 32 and name HN) (resid 29 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
assign (resid 33 and name N) (resid 49 and name O) 3.2 1.0 0.0
assign (resid 33 and name HN) (resid 49 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
assign (resid 34 and name N) (resid 25 and name O) 3.2 1.0 0.0
or (resid 34 and name N) (resid 26 and name O)
assign (resid 34 and name HN) (resid 25 and name O) 2.2 1.0 0.0
or (resid 34 and name HN) (resid 26 and name O)
! HX derived hbond restraint
assign (resid 35 and name N) (resid 47 and name O) 3.2 1.0 0.0
assign (resid 35 and name HN) (resid 47 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
assign (resid 36 and name N) (resid 23 and name O) 3.2 1.0 0.0
assign (resid 36 and name HN) (resid 23 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
assign (resid 37 and name N) (resid 45 and name O) 3.2 1.0 0.0
assign (resid 37 and name HN) (resid 45 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
assign (resid 47 and name N) (resid 35 and name O) 3.2 1.0 0.0
assign (resid 47 and name HN) (resid 35 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
assign (resid 49 and name N) (resid 33 and name O) 3.2 1.0 0.0
assign (resid 49 and name HN) (resid 33 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
assign (resid 51 and name N) (resid 31 and name O) 3.2 1.0 0.0
assign (resid 51 and name HN) (resid 31 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
!assign (resid 54 and name N) (resid 55 and name OE1) 3.2 1.0 0.0
! or (resid 54 and name N) (resid 55 and name OE2)
!assign (resid 54 and name HN) (resid 55 and name OE1) 2.2 1.0 0.0
! or (resid 54 and name HN) (resid 55 and name OE2)
! HX derived hbond restraint
assign (resid 57 and name N) (resid 9 and name O) 3.2 1.0 0.0
assign (resid 57 and name HN) (resid 9 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
!assign (resid 59 and name N) (resid 58 and name OD1) 3.2 1.0 0.0
! or (resid 59 and name N) (resid 58 and name OD2)
!assign (resid 59 and name HN) (resid 58 and name OD1) 2.2 1.0 0.0
! or (resid 59 and name HN) (resid 58 and name OD2)
! HX derived hbond restraint
! assign (resid 61 and name N) (resid 24 and name O) 3.2 1.0 0.0
! assign (resid 61 and name HN) (resid 24 and name O) 2.2 1.0 0.0
! HX derived hbond restraint
assign (resid 72 and name N) (resid 71 and name OE1) 3.2 1.0 0.0
or (resid 72 and name N) (resid 71 and name OE2)
or (resid 72 and name N) (resid 68 and name O)
assign (resid 72 and name HN) (resid 71 and name OE1) 2.2 1.0 0.0
or (resid 72 and name HN) (resid 71 and name OE2)
or (resid 72 and name HN) (resid 68 and name O)
! HX derived hbond restraint
assign (resid 73 and name N) (resid 69 and name O) 3.2 1.0 0.0
or (resid 73 and name N) (resid 70 and name O)
assign (resid 73 and name HN) (resid 69 and name O) 2.2 1.0 0.0
or (resid 73 and name HN) (resid 70 and name O)
! HX derived hbond restraint
assign (resid 74 and name N) (resid 71 and name O) 3.2 1.0 0.0
or (resid 74 and name N) (resid 70 and name O)
assign (resid 74 and name HN) (resid 71 and name O) 2.2 1.0 0.0
or (resid 74 and name HN) (resid 70 and name O)
! HX derived hbond restraint
assign (resid 75 and name N) (resid 72 and name O) 3.2 1.0 0.0
or (resid 75 and name N) (resid 71 and name O)
assign (resid 75 and name HN) (resid 72 and name O) 2.2 1.0 0.0
or (resid 75 and name HN) (resid 71 and name O)
! HX derived hbond restraint
assign (resid 76 and name N) (resid 72 and name O) 3.2 1.0 0.0
or (resid 76 and name N) (resid 73 and name O)
assign (resid 76 and name HN) (resid 72 and name O) 2.2 1.0 0.0
or (resid 76 and name HN) (resid 73 and name O)
! HX derived hbond restraint
assign (resid 77 and name N) (resid 73 and name O) 3.2 1.0 0.0
or (resid 77 and name N) (resid 74 and name O)
assign (resid 77 and name HN) (resid 73 and name O) 2.2 1.0 0.0
or (resid 77 and name HN) (resid 74 and name O)
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