Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
2665 | 1cej RC | 4437 | cing | recoord | 1-original | 8 | XPLOR/CNS | dihedral angle |
! dihedral angle restraints X-PLOR format
!
! chi-1 22 restraints
! phi 25 restraints
! psi 33 restraints
! chi-2 5 restraints
!
! <ENERGY> <ANGLE> <RANGE> <EXPONENT>
! chi-1 restraints
assign (resid 15 and name n ) (resid 15 and name ca)
(resid 15 and name cb) (resid 15 and name cg) 1.0 -60.0 40.0 2
assign (resid 19 and name n ) (resid 19 and name ca)
(resid 19 and name cb) (resid 19 and name cg) 1.0 180.0 40.0 2
assign (resid 22 and name n ) (resid 22 and name ca)
(resid 22 and name cb) (resid 22 and name cg) 1.0 -60.0 40.0 2
assign (resid 23 and name n ) (resid 23 and name ca)
(resid 23 and name cb) (resid 23 and name cg) 1.0 60.0 40.0 2
assign (resid 30 and name n ) (resid 30 and name ca)
(resid 30 and name cb) (resid 30 and name sg) 1.0 -60.0 40.0 2
assign (resid 31 and name n ) (resid 31 and name ca)
(resid 31 and name cb) (resid 31 and name cg) 1.0 -60.0 40.0 2
assign (resid 32 and name n ) (resid 32 and name ca)
(resid 32 and name cb) (resid 32 and name cg) 1.0 -60.0 40.0 2
assign (resid 33 and name n ) (resid 33 and name ca)
(resid 33 and name cb) (resid 33 and name cg) 1.0 -60.0 40.0 2
assign (resid 34 and name n ) (resid 34 and name ca)
(resid 34 and name cb) (resid 34 and name cg) 1.0 -60.0 40.0 2
assign (resid 35 and name n ) (resid 35 and name ca)
(resid 35 and name cb) (resid 35 and name cg) 1.0 60.0 40.0 2
assign (resid 41 and name n ) (resid 41 and name ca)
(resid 41 and name cb) (resid 41 and name sg) 1.0 -60.0 40.0 2
assign (resid 42 and name n ) (resid 42 and name ca)
(resid 42 and name cb) (resid 42 and name cg1) 1.0 -60.0 40.0 2
assign (resid 49 and name n ) (resid 49 and name ca)
(resid 49 and name cb) (resid 49 and name sg) 1.0 -60.0 40.0 2
assign (resid 52 and name n ) (resid 52 and name ca)
(resid 52 and name cb) (resid 52 and name cg) 1.0 60.0 40.0 2
assign (resid 53 and name n ) (resid 53 and name ca)
(resid 53 and name cb) (resid 53 and name cg) 1.0 180.0 40.0 2
assign (resid 56 and name n ) (resid 56 and name ca)
(resid 56 and name cb) (resid 56 and name sg) 1.0 -60.0 40.0 2
assign (resid 62 and name n ) (resid 62 and name ca)
(resid 62 and name cb) (resid 62 and name sg) 1.0 180.0 40.0 2
assign (resid 74 and name n ) (resid 74 and name ca)
(resid 74 and name cb) (resid 74 and name cg1) 1.0 -60.0 40.0 2
assign (resid 76 and name n ) (resid 76 and name ca)
(resid 76 and name cb) (resid 76 and name sg) 1.0 -60.0 40.0 2
assign (resid 78 and name n ) (resid 78 and name ca)
(resid 78 and name cb) (resid 78 and name sg) 1.0 -60.0 40.0 2
assign (resid 87 and name n ) (resid 87 and name ca)
(resid 87 and name cb) (resid 87 and name cg) 1.0 -60.0 40.0 2
assign (resid 92 and name n ) (resid 92 and name ca)
(resid 92 and name cb) (resid 92 and name sg) 1.0 -60.0 40.0 2
! phi restraints
assign (resid 14 and name c ) (resid 15 and name n )
(resid 15 and name ca) (resid 15 and name c ) 1.0 60.0 50.0 2 !HN(CO)HB
assign (resid 18 and name c ) (resid 19 and name n )
(resid 19 and name ca) (resid 19 and name c ) 1.0 -120.0 50.0 2 !HNHA 8.9 Hz
assign (resid 27 and name c ) (resid 28 and name n )
(resid 28 and name ca) (resid 28 and name c ) 1.0 -120.0 70.0 2 !HNHA 7.6 Hz
assign (resid 29 and name c ) (resid 30 and name n )
(resid 30 and name ca) (resid 30 and name c ) 1.0 -78.0 50.0 2
assign (resid 31 and name c ) (resid 32 and name n )
(resid 32 and name ca) (resid 32 and name c ) 1.0 -84.0 50.0 2
assign (resid 32 and name c ) (resid 33 and name n )
(resid 33 and name ca) (resid 33 and name c ) 1.0 60.0 50.0 2 !HN(CO)HB
assign (resid 33 and name c ) (resid 34 and name n )
(resid 34 and name ca) (resid 34 and name c ) 1.0 -120.0 50.0 2 !HNHA 8.2 Hz
assign (resid 34 and name c ) (resid 35 and name n )
(resid 35 and name ca) (resid 35 and name c ) 1.0 -120.0 50.0 2 !HNHA 8.45 Hz
assign (resid 36 and name c ) (resid 37 and name n )
(resid 37 and name ca) (resid 37 and name c ) 1.0 -120.0 50.0 2 !HNHA 8.6 Hz
assign (resid 38 and name c ) (resid 39 and name n )
(resid 39 and name ca) (resid 39 and name c ) 1.0 -120.0 50.0 2 !HNHA 8.6 Hz
assign (resid 39 and name c ) (resid 40 and name n )
(resid 40 and name ca) (resid 40 and name c ) 1.0 -120.0 50.0 2 !HNHA 8.3 Hz
assign (resid 40 and name c ) (resid 41 and name n )
(resid 41 and name ca) (resid 41 and name c ) 1.0 -120.0 50.0 2 !HNHA 8.8 Hz
assign (resid 41 and name c ) (resid 42 and name n )
(resid 42 and name ca) (resid 42 and name c ) 1.0 -120.0 50.0 2 !HNHA 8.5 Hz
assign (resid 49 and name c ) (resid 50 and name n )
(resid 50 and name ca) (resid 50 and name c ) 1.0 -75.0 50.0 2
assign (resid 50 and name c ) (resid 51 and name n )
(resid 51 and name ca) (resid 51 and name c ) 1.0 -120.0 50.0 2 !HNHA 8.5 Hz
assign (resid 52 and name c ) (resid 53 and name n )
(resid 53 and name ca) (resid 53 and name c ) 1.0 60.0 50.0 2 !HN(CO)HB
assign (resid 55 and name c ) (resid 56 and name n )
(resid 56 and name ca) (resid 56 and name c ) 1.0 -60.0 50.0 2 !HNHA 5.0 Hz
assign (resid 58 and name c ) (resid 59 and name n )
(resid 59 and name ca) (resid 59 and name c ) 1.0 -120.0 50.0 2 !HNHA 8.8 Hz
assign (resid 59 and name c ) (resid 60 and name n )
(resid 60 and name ca) (resid 60 and name c ) 1.0 -120.0 50.0 2 !HNHA 8.2 Hz
assign (resid 60 and name c ) (resid 61 and name n )
(resid 61 and name ca) (resid 61 and name c ) 1.0 -120.0 50.0 2 !HNHA 8.1 Hz
assign (resid 61 and name c ) (resid 62 and name n )
(resid 62 and name ca) (resid 62 and name c ) 1.0 -150.0 70.0 2 !HNHA 7.9 Hz
assign (resid 62 and name c ) (resid 63 and name n )
(resid 63 and name ca) (resid 63 and name c ) 1.0 -120.0 50.0 2 !HNHA 8.7 Hz
assign (resid 73 and name c ) (resid 74 and name n )
(resid 74 and name ca) (resid 74 and name c ) 1.0 -120.0 50.0 2
assign (resid 74 and name c ) (resid 75 and name n )
(resid 75 and name ca) (resid 75 and name c ) 1.0 -120.0 50.0 2 !HNHA 9.15 Hz
assign (resid 76 and name c ) (resid 77 and name n )
(resid 77 and name ca) (resid 77 and name c ) 1.0 -120.0 50.0 2 !HNHA 8.2 Hz
! psi restraints
assign (resid 15 and name n ) (resid 15 and name ca)
(resid 15 and name c ) (resid 16 and name n ) 1.0 50.0 50.0 2
assign (resid 19 and name n ) (resid 19 and name ca)
(resid 19 and name c ) (resid 20 and name n ) 1.0 120.0 75.0 2
assign (resid 25 and name n ) (resid 25 and name ca)
(resid 25 and name c ) (resid 26 and name n ) 1.0 120.0 75.0 2
assign (resid 27 and name n ) (resid 27 and name ca)
(resid 27 and name c ) (resid 28 and name n ) 1.0 120.0 75.0 2
assign (resid 28 and name n ) (resid 28 and name ca)
(resid 28 and name c ) (resid 29 and name n ) 1.0 120.0 75.0 2
assign (resid 29 and name n ) (resid 29 and name ca)
(resid 29 and name c ) (resid 30 and name n ) 1.0 120.0 60.0 2
assign (resid 30 and name n ) (resid 30 and name ca)
(resid 30 and name c ) (resid 31 and name n ) 1.0 125.0 75.0 2
assign (resid 31 and name n ) (resid 31 and name ca)
(resid 31 and name c ) (resid 32 and name n ) 1.0 120.0 75.0 2
assign (resid 32 and name n ) (resid 32 and name ca)
(resid 32 and name c ) (resid 33 and name n ) 1.0 174.0 50.0 2
assign (resid 33 and name n ) (resid 33 and name ca)
(resid 33 and name c ) (resid 34 and name n ) 1.0 60.0 50.0 2
assign (resid 34 and name n ) (resid 34 and name ca)
(resid 34 and name c ) (resid 35 and name n ) 1.0 159.0 50.0 2
assign (resid 35 and name n ) (resid 35 and name ca)
(resid 35 and name c ) (resid 36 and name n ) 1.0 156.0 50.0 2
assign (resid 36 and name n ) (resid 36 and name ca)
(resid 36 and name c ) (resid 37 and name n ) 1.0 120.0 60.0 2
assign (resid 37 and name n ) (resid 37 and name ca)
(resid 37 and name c ) (resid 38 and name n ) 1.0 120.0 60.0 2
assign (resid 40 and name n ) (resid 40 and name ca)
(resid 40 and name c ) (resid 41 and name n ) 1.0 120.0 60.0 2
assign (resid 41 and name n ) (resid 41 and name ca)
(resid 41 and name c ) (resid 42 and name n ) 1.0 120.0 60.0 2
assign (resid 42 and name n ) (resid 42 and name ca)
(resid 42 and name c ) (resid 43 and name n ) 1.0 120.0 60.0 2
assign (resid 43 and name n ) (resid 43 and name ca)
(resid 43 and name c ) (resid 44 and name n ) 1.0 120.0 60.0 2
assign (resid 45 and name n ) (resid 45 and name ca)
(resid 45 and name c ) (resid 46 and name n ) 1.0 -60.0 50.0 2 !HNHB
assign (resid 51 and name n ) (resid 51 and name ca)
(resid 51 and name c ) (resid 52 and name n ) 1.0 120.0 75.0 2
assign (resid 53 and name n ) (resid 53 and name ca)
(resid 53 and name c ) (resid 54 and name n ) 1.0 50.0 50.0 2
assign (resid 58 and name n ) (resid 58 and name ca)
(resid 58 and name c ) (resid 59 and name n ) 1.0 -60.0 50.0 2 !HNHB
assign (resid 59 and name n ) (resid 59 and name ca)
(resid 59 and name c ) (resid 60 and name n ) 1.0 33.0 50.0 2
assign (resid 60 and name n ) (resid 60 and name ca)
(resid 60 and name c ) (resid 61 and name n ) 1.0 162.0 50.0 2
assign (resid 61 and name n ) (resid 61 and name ca)
(resid 61 and name c ) (resid 62 and name n ) 1.0 120.0 60.0 2
assign (resid 62 and name n ) (resid 62 and name ca)
(resid 62 and name c ) (resid 63 and name n ) 1.0 120.0 60.0 2
assign (resid 63 and name n ) (resid 63 and name ca)
(resid 63 and name c ) (resid 64 and name n ) 1.0 165.0 50.0 2
assign (resid 74 and name n ) (resid 74 and name ca)
(resid 74 and name c ) (resid 75 and name n ) 1.0 120.0 60.0 2
assign (resid 75 and name n ) (resid 75 and name ca)
(resid 75 and name c ) (resid 76 and name n ) 1.0 120.0 60.0 2
assign (resid 76 and name n ) (resid 76 and name ca)
(resid 76 and name c ) (resid 77 and name n ) 1.0 120.0 60.0 2
assign (resid 78 and name n ) (resid 78 and name ca)
(resid 78 and name c ) (resid 79 and name n ) 1.0 120.0 60.0 2
assign (resid 83 and name n ) (resid 83 and name ca)
(resid 83 and name c ) (resid 84 and name n ) 1.0 120.0 60.0 2
assign (resid 92 and name n ) (resid 92 and name ca)
(resid 92 and name c ) (resid 93 and name n ) 1.0 120.0 75.0 2
! chi-2 restraints
assign (resid 2 and name ca) (resid 2 and name cb)
(resid 2 and name cg1) (resid 2 and name cd1) 1.0 -60.0 40.0 2 !LRCH
assign (resid 31 and name ca) (resid 31 and name cb)
(resid 31 and name cg) (resid 31 and name cd1) 1.0 180.0 40.0 2 !LRCH
assign (resid 32 and name ca) (resid 32 and name cb)
(resid 32 and name cg) (resid 32 and name cd1) 1.0 180.0 40.0 2 !LRCH
assign (resid 74 and name ca) (resid 74 and name cb)
(resid 74 and name cg1) (resid 74 and name cd1) 1.0 -60.0 40.0 2 !LRCH
assign (resid 90 and name ca) (resid 90 and name cb)
(resid 90 and name cg1) (resid 90 and name cd1) 1.0 180.0 40.0 2 !LRCH