NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
6511 1j5n 4869 cing 1-original 5 XPLOR/CNS distance hydrogen bond simple



!Helix 1:
!!assi (resid 25 and name HN) (resid 21 and name O) 2.500 0.700 0.500 !L25HN appears to be h-bonded to D77OD instead
!assign (resid 21 and name O) (resid 25 and name HN) 2.00 0.30 0.20   !L25HN appears to be h-bonded to D77OD instead
!assign (resid 21 and name O) (resid 25 and name N) 2.90 0.20 0.30    !L25HN appears to be h-bonded to D77OD instead
!!assi (resid 26 and name HN) (resid 22 and name O) 2.500 0.700 0.500 !S26HN appears to be h-bonded to M29SD instead
!assign (resid 22 and name O) (resid 26 and name HN) 2.00 0.30 0.20   !S26HN appears to be h-bonded to M29SD instead
!assign (resid 22 and name O) (resid 26 and name N) 2.90 0.20 0.30    !S26HN appears to be h-bonded to M29SD instead
!assi (resid 29 and name HN) (resid 26 and name O) 2.500 0.700 0.500  !M29HN appears to be h-bonded to S26CO instead of L25CO
                                                                      !structure calculations could not support h-bond to L25
assign (resid 26 and name O) (resid 29 and name HN) 2.00 0.30 0.20    !M29HN appears to be h-bonded to S26CO instead of L25CO
                                                                      !structure calculations could not support h-bond to L25
assign (resid 26 and name O) (resid 29 and name N) 2.90 0.20 0.30     !M29HN appears to be h-bonded to S26CO instead of L25CO
                                                                      !structure calculations could not support h-bond to L25
!assi (resid 30 and name HN) (resid 26 and name O) 2.500 0.700 0.500  !OK
assign (resid 26 and name O) (resid 30 and name HN) 2.00 0.30 0.20    !OK
assign (resid 26 and name O) (resid 30 and name N) 2.90 0.20 0.30     !OK
!assi (resid 31 and name HN) (resid 27 and name O) 2.500 0.700 0.500  !OK
assign (resid 27 and name O) (resid 31 and name HN) 2.00 0.30 0.20    !OK
assign (resid 27 and name O) (resid 31 and name N) 2.90 0.20 0.30     !OK
!assi (resid 32 and name HN) (resid 28 and name O) 2.500 0.700 0.500  !OK
assign (resid 28 and name O) (resid 32 and name HN) 2.00 0.30 0.20    !OK
assign (resid 28 and name O) (resid 32 and name N) 2.90 0.20 0.30     !OK
!assi (resid 33 and name HN) (resid 29 and name O) 2.500 0.700 0.500  !OK
assign (resid 29 and name O) (resid 33 and name HN) 2.00 0.30 0.20    !OK
assign (resid 29 and name O) (resid 33 and name N) 2.90 0.20 0.30     !OK
!assi (resid 36 and name HN) (resid 32 and name O) 2.500 0.700 0.500  !OK
assign (resid 32 and name O) (resid 36 and name HN) 2.00 0.30 0.20    !OK
assign (resid 32 and name O) (resid 36 and name N) 2.90 0.20 0.30     !OK
!assi (resid 39 and name HN) (resid 35 and name O) 2.500 0.700 0.500  !OK
assign (resid 35 and name O) (resid 39 and name HN) 2.00 0.30 0.20    !OK
assign (resid 35 and name O) (resid 39 and name N) 2.90 0.20 0.30     !OK
!assi (resid 43 and name HN) (resid 39 and name O) 2.500 0.700 0.500  !OK
assign (resid 39 and name O) (resid 43 and name HN) 2.00 0.30 0.20    !OK
assign (resid 39 and name O) (resid 43 and name N) 2.90 0.20 0.30     !OK


!Helix 2:
!assi (resid 55 and name HN) (resid 51 and name O) 2.500 0.700 0.500 !OK
assign (resid 51 and name O) (resid 55 and name HN) 2.00 0.30 0.20   !OK
assign (resid 51 and name O) (resid 55 and name N) 2.90 0.20 0.30    !OK
!assi (resid 56 and name HN) (resid 52 and name O) 2.500 0.700 0.500 !OK
assign (resid 52 and name O) (resid 56 and name HN) 2.00 0.30 0.20   !OK
assign (resid 52 and name O) (resid 56 and name N) 2.90 0.20 0.30    !OK
!assi (resid 57 and name HN) (resid 53 and name O) 2.500 0.700 0.500 !may be correct, but K53 extended along DNA so few
                                                                     !    short-range restraints
assign (resid 53 and name O) (resid 57 and name HN) 2.00 0.30 0.20   !may be correct, but K53 extended along DNA so few
                                                                     !    short-range restraints
assign (resid 53 and name O) (resid 57 and name N) 2.90 0.20 0.30    !may be correct, but K53 extended along DNA so few
                                                                     !    short-range restraints
!assi (resid 58 and name HN) (resid 54 and name O) 2.500 0.700 0.500 !few restraints but looks OK
assign (resid 54 and name O) (resid 58 and name HN) 2.00 0.30 0.20   !few restraints but looks OK
assign (resid 54 and name O) (resid 58 and name N) 2.90 0.20 0.30    !few restraints but looks OK
!assi (resid 59 and name HN) (resid 55 and name O) 2.500 0.700 0.500 !OK
assign (resid 55 and name O) (resid 59 and name HN) 2.00 0.30 0.20   !OK
assign (resid 55 and name O) (resid 59 and name N) 2.90 0.20 0.30    !OK
!assi (resid 60 and name HN) (resid 56 and name O) 2.500 0.700 0.500 !OK
assign (resid 56 and name O) (resid 60 and name HN) 2.00 0.30 0.20   !OK
assign (resid 56 and name O) (resid 60 and name N) 2.90 0.20 0.30    !OK
!assi (resid 61 and name HN) (resid 57 and name O) 2.500 0.700 0.500 !57HO or 58HO (probably 57)
assign (resid 57 and name O) (resid 61 and name HN) 2.00 0.30 0.20   !57HO or 58HO (probably 57)
assign (resid 57 and name O) (resid 61 and name N) 2.90 0.20 0.30    !57HO or 58HO (probably 57)
!assi (resid 62 and name HN) (resid 58 and name O) 2.500 0.700 0.500 !58HO or 59HO (probably 58)
assign (resid 58 and name O) (resid 62 and name HN) 2.00 0.30 0.20   !58HO or 59HO (probably 58)
assign (resid 58 and name O) (resid 62 and name N) 2.90 0.20 0.30    !58HO or 59HO (probably 58)


!Helix 3:
!assi (resid 66 and name HN) (resid 63 and name O) 2.500 0.700 0.500 !removed because cannot be well fit by
                                                                     !    structures--63 instead of 62
assign (resid 63 and name O) (resid 66 and name HN) 2.00 0.30 0.20   !63HN instead of 62  or maybe 63OG?1
assign (resid 63 and name O) (resid 66 and name N) 2.90 0.20 0.30    !63HN instead of 62  or maybe 63OG?1
!assi (resid 67 and name HN) (resid 63 and name O) 2.500 0.700 0.500 !63 or 64 (probably 63)
assign (resid 63 and name O) (resid 67 and name HN) 2.00 0.30 0.20   !63 or 64 (probably 63)
assign (resid 63 and name O) (resid 67 and name N) 2.90 0.20 0.30    !63 or 64 (probably 63)
!assi (resid 68 and name HN) (resid 64 and name O) 2.500 0.700 0.500 !64 or 65 (probably 64)
assign (resid 64 and name O) (resid 68 and name HN) 2.00 0.30 0.20   !64 or 65 (probably 64)
assign (resid 64 and name O) (resid 68 and name N) 2.90 0.20 0.30    !64 or 65 (probably 64)
!assi (resid 70 and name HN) (resid 66 and name O) 2.500 0.700 0.500 !66 or 67 (probably 66)
! K67O added to next two restraints based on structures
assign ((resid 66 and name O) or (resid 67 and name O)) (resid 70 and name HN) 2.00 0.30 0.20   !66 or 67 (probably 66)
assign ((resid 66 and name O) or (resid 67 and name O)) (resid 70 and name N) 2.90 0.20 0.30    !66 or 67 (probably 66)
!assi (resid 71 and name HN) (resid 67 and name O) 2.500 0.700 0.500 !OK
assign (resid 67 and name O) (resid 71 and name HN) 2.00 0.30 0.20   !OK
assign (resid 67 and name O) (resid 71 and name N) 2.90 0.20 0.30    !OK
!assi (resid 73 and name HN) (resid 69 and name O) 2.500 0.700 0.500 !69 or 68 (probably 69)
assign (resid 69 and name O) (resid 73 and name HN) 2.00 0.30 0.20   !69 or 68 (probably 69)
assign (resid 69 and name O) (resid 73 and name N) 2.90 0.20 0.30    !69 or 68 (probably 69)
!assi (resid 74 and name HN) (resid 70 and name O) 2.500 0.700 0.500 !OK
assign (resid 70 and name O) (resid 74 and name HN) 2.00 0.30 0.20   !OK
assign (resid 70 and name O) (resid 74 and name N) 2.90 0.20 0.30    !OK
!assi (resid 75 and name HN) (resid 71 and name O) 2.500 0.700 0.500 !OK
assign (resid 71 and name O) (resid 75 and name HN) 2.00 0.30 0.20   !OK
assign (resid 71 and name O) (resid 75 and name N) 2.90 0.20 0.30    !OK
!assi (resid 76 and name HN) (resid 72 and name O) 2.500 0.700 0.500 !OK
assign (resid 72 and name O) (resid 76 and name HN) 2.00 0.30 0.20   !OK
assign (resid 72 and name O) (resid 76 and name N) 2.90 0.20 0.30    !OK
!assi (resid 77 and name HN) (resid 73 and name O) 2.500 0.700 0.500 !OK
assign (resid 73 and name O) (resid 77 and name HN) 2.00 0.30 0.20   !OK
assign (resid 73 and name O) (resid 77 and name N) 2.90 0.20 0.30    !OK
!assi (resid 78 and name HN) (resid 74 and name O) 2.500 0.700 0.500 !OK
assign (resid 74 and name O) (resid 78 and name HN) 2.00 0.30 0.20   !OK
assign (resid 74 and name O) (resid 78 and name N) 2.90 0.20 0.30    !OK


!Extra A-helix restraints (not supported by deuterium exchange experiment:

!assi (resid 34 and name HN) (resid 30 and name O) 2.500 0.700 0.500 !may also be to F31HO if exists
assign (resid 30 and name O) (resid 34 and name HN) 2.00 0.30 0.20   !may also be to F31HO if exists
assign (resid 30 and name O) (resid 34 and name N) 2.90 0.20 0.30    !may also be to F31HO if exists
!assi (resid 35 and name HN) (resid 31 and name O) 2.500 0.700 0.500 !looks OK
assign (resid 31 and name O) (resid 35 and name HN) 2.00 0.30 0.20   !looks OK
assign (resid 31 and name O) (resid 35 and name N) 2.90 0.20 0.30    !looks OK
!!assi (resid 37 and name HN) (resid 33 and name O) 2.500 0.700 0.500 !few restraints--probably no h-bond
!assign (resid 33 and name O) (resid 37 and name HN) 2.00 0.30 0.20   !few restraints--probably no h-bond
!assign (resid 33 and name O) (resid 37 and name N) 2.90 0.20 0.30    !few restraints--probably no h-bond
!assi (resid 38 and name HN) (resid 34 and name O) 2.500 0.700 0.500 !may exist but no n+3 connectivity (n+4 instead)
assign (resid 34 and name O) (resid 38 and name HN) 2.00 0.30 0.20   !may exist but no n+3 connectivity (n+4 instead)
assign (resid 34 and name O) (resid 38 and name N) 2.90 0.20 0.30    !may exist but no n+3 connectivity (n+4 instead)
!assi (resid 39 and name HN) (resid 35 and name O) 2.500 0.700 0.500 !looks OK
assign (resid 35 and name O) (resid 39 and name HN) 2.00 0.30 0.20   !looks OK
assign (resid 35 and name O) (resid 39 and name N) 2.90 0.20 0.30    !looks OK
!assi (resid 40 and name HN) (resid 36 and name O) 2.500 0.700 0.500 !looks OK
assign (resid 36 and name O) (resid 40 and name HN) 2.00 0.30 0.20   !looks OK
assign (resid 36 and name O) (resid 40 and name N) 2.90 0.20 0.30    !looks OK
!assi (resid 41 and name HN) (resid 37 and name O) 2.500 0.700 0.500 !looks OK
assign (resid 37 and name O) (resid 41 and name HN) 2.00 0.30 0.20   !looks OK
assign (resid 37 and name O) (resid 41 and name N) 2.90 0.20 0.30    !looks OK
!assi (resid 42 and name HN) (resid 38 and name O) 2.500 0.700 0.500 !looks OK
assign (resid 38 and name O) (resid 42 and name HN) 2.00 0.30 0.20   !looks OK
assign (resid 38 and name O) (resid 42 and name N) 2.90 0.20 0.30    !looks OK


!assi (resid 51 and name HN) (resid 47 and name O) 2.500 0.700 0.500 !looks OK
assign (resid 47 and name O) (resid 51 and name HN) 2.00 0.30 0.20   !looks OK
assign (resid 47 and name O) (resid 51 and name N) 2.90 0.20 0.30    !looks OK
!assi (resid 52 and name HN) (resid 48 and name O) 2.500 0.700 0.500 !looks OK
assign (resid 48 and name O) (resid 52 and name HN) 2.00 0.30 0.20   !looks OK
assign (resid 48 and name O) (resid 52 and name N) 2.90 0.20 0.30    !looks OK
!!assi (resid 53 and name HN) (resid 49 and name O) 2.500 0.700 0.500 !few restraints--no evidence for h-bond
!assign (resid 49 and name O) (resid 53 and name HN) 2.00 0.30 0.20   !few restraints--no evidence for h-bond
!assign (resid 49 and name O) (resid 53 and name N) 2.90 0.20 0.30    !few restraints--no evidence for h-bond
!assi (resid 54 and name HN) (resid 50 and name O) 2.500 0.700 0.500 !50HO or 49HO (probably 50?)
assign (resid 50 and name O) (resid 54 and name HN) 2.00 0.30 0.20   !50HO or 49HO (probably 50?)
assign (resid 50 and name O) (resid 54 and name N) 2.90 0.20 0.30    !50HO or 49HO (probably 50?)


!assi (resid 72 and name HN) (resid 68 and name O) 2.500 0.700 0.500 !A72HN may not actually be h-bonded (to 68 or 67?)
assign (resid 68 and name O) (resid 72 and name HN) 2.00 0.30 0.20   !A72HN may not actually be h-bonded (to 68 or 67?)
assign (resid 68 and name O) (resid 72 and name N) 2.90 0.20 0.30    !A72HN may not actually be h-bonded (to 68 or 67?)
!assi (resid 79 and name HN) (resid 75 and name O) 2.500 0.700 0.500  !probably OK but only a few restraints
assign (resid 75 and name O) (resid 79 and name HN) 2.00 0.30 0.20    !probably OK but only a few restraints
assign (resid 75 and name O) (resid 79 and name N) 2.90 0.20 0.30     !probably OK but only a few restraints
!!assi (resid 80 and name HN) (resid 76 and name O) 2.500 0.700 0.500  !may be OK but more n+2 restraints than n+3
!assign (resid 76 and name O) (resid 80 and name HN) 2.00 0.30 0.20    !may be OK but more n+2 restraints than n+3
!assign (resid 76 and name O) (resid 80 and name N) 2.90 0.20 0.30     !may be OK but more n+2 restraints than n+3
!assi (resid 81 and name HN) (resid 77 and name O) 2.500 0.700 0.500  !looks OK
assign (resid 77 and name O) (resid 81 and name HN) 2.00 0.30 0.20    !looks OK
assign (resid 77 and name O) (resid 81 and name N) 2.90 0.20 0.30     !looks OK
!assi (resid 82 and name HN) (resid 78 and name O) 2.500 0.700 0.500  !may be OK but as many n+2 restraints as n+3
assign (resid 78 and name O) (resid 82 and name HN) 2.00 0.30 0.20    !may be OK but as many n+2 restraints as n+3
assign (resid 78 and name O) (resid 82 and name N) 2.90 0.20 0.30     !may be OK but as many n+2 restraints as n+3
!assi (resid 83 and name HN) (resid 79 and name O) 2.500 0.700 0.500  !probably OK but only a few restraints.
                                                                      !    83HN could also h-bond with R80CO
assign (resid 79 and name O) (resid 83 and name HN) 2.00 0.30 0.20    !probably OK but only a few restraints.
                                                                      !    83HN could also h-bond with R80CO
assign (resid 79 and name O) (resid 83 and name N) 2.90 0.20 0.30     !probably OK but only a few restraints.
                                                                      !    83HN could also h-bond with R80CO
!!assi (resid 84 and name HN) (resid 80 and name O) 2.500 0.700 0.500  !only a few restraints. could also hbond to Y81CO
!assign (resid 80 and name O) (resid 84 and name HN) 2.00 0.30 0.20    !only a few restraints. could also hbond to Y81CO
!assign (resid 80 and name O) (resid 84 and name N) 2.90 0.20 0.30     !only a few restraints. could also hbond to Y81CO
!assi (resid 85 and name HN) (resid 81 and name O) 2.500 0.700 0.500  !looks OK
assign (resid 81 and name O) (resid 85 and name HN) 2.00 0.30 0.20    !looks OK
assign (resid 81 and name O) (resid 85 and name N) 2.90 0.20 0.30     !looks OK
!assi (resid 86 and name HN) (resid 82 and name O) 2.500 0.700 0.500  !looks OK
assign (resid 82 and name O) (resid 86 and name HN) 2.00 0.30 0.20    !looks OK
assign (resid 82 and name O) (resid 86 and name N) 2.90 0.20 0.30     !looks OK
!assi (resid 87 and name HN) (resid 83 and name O) 2.500 0.700 0.500  !may be OK but as many n+2 restraints as n+3 (6 tot)
assign (resid 83 and name O) (resid 87 and name HN) 2.00 0.30 0.20    !may be OK but as many n+2 restraints as n+3 (6 tot)
assign (resid 83 and name O) (resid 87 and name N) 2.90 0.20 0.30     !may be OK but as many n+2 restraints as n+3 (6 tot)
!assi (resid 88 and name HN) (resid 84 and name O) 2.500 0.700 0.500  !looks OK
assign (resid 84 and name O) (resid 88 and name HN) 2.00 0.30 0.20    !looks OK
assign (resid 84 and name O) (resid 88 and name N) 2.90 0.20 0.30     !looks OK
!assi (resid 89 and name HN) (resid 85 and name O) 2.500 0.700 0.500  !looks OK
assign (resid 85 and name O) (resid 89 and name HN) 2.00 0.30 0.20    !looks OK
assign (resid 85 and name O) (resid 89 and name N) 2.90 0.20 0.30     !looks OK
!assi (resid 90 and name HN) (resid 86 and name O) 2.500 0.700 0.500  !looks OK
assign (resid 86 and name O) (resid 90 and name HN) 2.00 0.30 0.20    !looks OK
assign (resid 86 and name O) (resid 90 and name N) 2.90 0.20 0.30     !looks OK
!assi (resid 91 and name HN) (resid 87 and name O) 2.500 0.700 0.500  !looks OK
assign (resid 87 and name O) (resid 91 and name HN) 2.00 0.30 0.20    !looks OK
assign (resid 87 and name O) (resid 91 and name N) 2.90 0.20 0.30     !looks OK
!assi (resid 92 and name HN) (resid 88 and name O) 2.500 0.700 0.500  !looks OK
assign (resid 88 and name O) (resid 92 and name HN) 2.00 0.30 0.20    !looks OK
assign (resid 88 and name O) (resid 92 and name N) 2.90 0.20 0.30     !looks OK
!assi (resid 93 and name HN) (resid 89 and name O) 2.500 0.700 0.500  !looks OK
assign (resid 89 and name O) (resid 93 and name HN) 2.00 0.30 0.20    !looks OK
assign (resid 89 and name O) (resid 93 and name N) 2.90 0.20 0.30     !looks OK








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