NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
|
|
28579 |
3gb1   |
cing | recoord | 1-original | 7 | XPLOR/CNS | dihedral angle |
!!
!! Phi restraints: minimum deviation = 30 degrees
!! 2
assign (resid 1 and name c ) (resid 2 and name n )
(resid 2 and name ca) (resid 2 and name c ) 1.0 -105.0 40.0 2
!! 3
assign (resid 2 and name c ) (resid 3 and name n )
(resid 3 and name ca) (resid 3 and name c ) 1.0 -115.0 30.0 2
!! 4
assign (resid 3 and name c ) (resid 4 and name n )
(resid 4 and name ca) (resid 4 and name c ) 1.0 -120.0 35.0 2
!! 5
assign (resid 4 and name c ) (resid 5 and name n )
(resid 5 and name ca) (resid 5 and name c ) 1.0 -110.0 30.0 2
!! 6
assign (resid 5 and name c ) (resid 6 and name n )
(resid 6 and name ca) (resid 6 and name c ) 1.0 -120.0 30.0 2
!! 7
assign (resid 6 and name c ) (resid 7 and name n )
(resid 7 and name ca) (resid 7 and name c ) 1.0 -120.0 40.0 2
!! 8
assign (resid 7 and name c ) (resid 8 and name n )
(resid 8 and name ca) (resid 8 and name c ) 1.0 -135.0 35.0 2
!! 9
assign (resid 8 and name c ) (resid 9 and name n )
(resid 9 and name ca) (resid 9 and name c ) 1.0 -95.0 80.0 2
!! 10
assign (resid 9 and name c ) (resid 10 and name n )
(resid 10 and name ca) (resid 10 and name c ) 1.0 -70.0 30.0 2
!! 11
assign (resid 10 and name c ) (resid 11 and name n )
(resid 11 and name ca) (resid 11 and name c ) 1.0 -120.0 30.0 2
!! 12
assign (resid 11 and name c ) (resid 12 and name n )
(resid 12 and name ca) (resid 12 and name c ) 1.0 -120.0 55.0 2
!! 13
assign (resid 12 and name c ) (resid 13 and name n )
(resid 13 and name ca) (resid 13 and name c ) 1.0 -120.0 35.0 2
!! 14
! assign (resid 13 and name c ) (resid 14 and name n )
! (resid 14 and name ca) (resid 14 and name c ) 1.0 -95.0 80.0 2
!! 15
assign (resid 14 and name c ) (resid 15 and name n )
(resid 15 and name ca) (resid 15 and name c ) 1.0 -125.0 50.0 2
!! 16
assign (resid 15 and name c ) (resid 16 and name n )
(resid 16 and name ca) (resid 16 and name c ) 1.0 -120.0 55.0 2
!! 17
assign (resid 16 and name c ) (resid 17 and name n )
(resid 17 and name ca) (resid 17 and name c ) 1.0 -120.0 35.0 2
!! 18
assign (resid 17 and name c ) (resid 18 and name n )
(resid 18 and name ca) (resid 18 and name c ) 1.0 -115.0 60.0 2
!! 19
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 35.0 2
!! 20
assign (resid 19 and name c ) (resid 20 and name n )
(resid 20 and name ca) (resid 20 and name c ) 1.0 -110.0 45.0 2
!! 21
assign (resid 20 and name c ) (resid 21 and name n )
(resid 21 and name ca) (resid 21 and name c ) 1.0 -70.0 30.0 2
!! 22
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca) (resid 22 and name c ) 1.0 -115.0 60.0 2
!! 23
assign (resid 22 and name c ) (resid 23 and name n )
(resid 23 and name ca) (resid 23 and name c ) 1.0 -60.0 30.0 2
!! 24
assign (resid 23 and name c ) (resid 24 and name n )
(resid 24 and name ca) (resid 24 and name c ) 1.0 -65.0 30.0 2
!! 25
assign (resid 24 and name c ) (resid 25 and name n )
(resid 25 and name ca) (resid 25 and name c ) 1.0 -70.0 30.0 2
!! 26
assign (resid 25 and name c ) (resid 26 and name n )
(resid 26 and name ca) (resid 26 and name c ) 1.0 -60.0 30.0 2
!! 27
assign (resid 26 and name c ) (resid 27 and name n )
(resid 27 and name ca) (resid 27 and name c ) 1.0 -70.0 30.0 2
!! 28
assign (resid 27 and name c ) (resid 28 and name n )
(resid 28 and name ca) (resid 28 and name c ) 1.0 -70.0 30.0 2
!! 29
assign (resid 28 and name c ) (resid 29 and name n )
(resid 29 and name ca) (resid 29 and name c ) 1.0 -70.0 30.0 2
!! 30
assign (resid 29 and name c ) (resid 30 and name n )
(resid 30 and name ca) (resid 30 and name c ) 1.0 -70.0 35.0 2
!! 31
assign (resid 30 and name c ) (resid 31 and name n )
(resid 31 and name ca) (resid 31 and name c ) 1.0 -60.0 30.0 2
!! 32
assign (resid 31 and name c ) (resid 32 and name n )
(resid 32 and name ca) (resid 32 and name c ) 1.0 -70.0 30.0 2
!! 33
assign (resid 32 and name c ) (resid 33 and name n )
(resid 33 and name ca) (resid 33 and name c ) 1.0 -70.0 30.0 2
!! 34
assign (resid 33 and name c ) (resid 34 and name n )
(resid 34 and name ca) (resid 34 and name c ) 1.0 -70.0 30.0 2
!! 35
assign (resid 34 and name c ) (resid 35 and name n )
(resid 35 and name ca) (resid 35 and name c ) 1.0 -60.0 30.0 2
!! 36
assign (resid 35 and name c ) (resid 36 and name n )
(resid 36 and name ca) (resid 36 and name c ) 1.0 -60.0 30.0 2
!! 37
assign (resid 36 and name c ) (resid 37 and name n )
(resid 37 and name ca) (resid 37 and name c ) 1.0 -110.0 30.0 2
!! 38
assign (resid 37 and name c ) (resid 38 and name n )
(resid 38 and name ca) (resid 38 and name c ) 1.0 65.0 60.0 2
!! 39
assign (resid 38 and name c ) (resid 39 and name n )
(resid 39 and name ca) (resid 39 and name c ) 1.0 -115.0 40.0 2
!! 40
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 45.0 2
!! 42
assign (resid 41 and name c ) (resid 42 and name n )
(resid 42 and name ca) (resid 42 and name c ) 1.0 -115.0 40.0 2
!! 43
assign (resid 42 and name c ) (resid 43 and name n )
(resid 43 and name ca) (resid 43 and name c ) 1.0 -120.0 35.0 2
!! 44
assign (resid 43 and name c ) (resid 44 and name n )
(resid 44 and name ca) (resid 44 and name c ) 1.0 -120.0 45.0 2
!! 45
assign (resid 44 and name c ) (resid 45 and name n )
(resid 45 and name ca) (resid 45 and name c ) 1.0 -120.0 35.0 2
!! 46
assign (resid 45 and name c ) (resid 46 and name n )
(resid 46 and name ca) (resid 46 and name c ) 1.0 -125.0 30.0 2
!! 47
assign (resid 46 and name c ) (resid 47 and name n )
(resid 47 and name ca) (resid 47 and name c ) 1.0 -65.0 30.0 2
!! 48
assign (resid 47 and name c ) (resid 48 and name n )
(resid 48 and name ca) (resid 48 and name c ) 1.0 -70.0 30.0 2
!! 49
assign (resid 48 and name c ) (resid 49 and name n )
(resid 49 and name ca) (resid 49 and name c ) 1.0 -130.0 35.0 2
!! 50
assign (resid 49 and name c ) (resid 50 and name n )
(resid 50 and name ca) (resid 50 and name c ) 1.0 60.0 35.0 2
!! 51
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 35.0 2
!! 52
assign (resid 51 and name c ) (resid 52 and name n )
(resid 52 and name ca) (resid 52 and name c ) 1.0 -120.0 40.0 2
!! 53
assign (resid 52 and name c ) (resid 53 and name n )
(resid 53 and name ca) (resid 53 and name c ) 1.0 -120.0 40.0 2
!! 54
assign (resid 53 and name c ) (resid 54 and name n )
(resid 54 and name ca) (resid 54 and name c ) 1.0 -120.0 35.0 2
!! 55
assign (resid 54 and name c ) (resid 55 and name n )
(resid 55 and name ca) (resid 55 and name c ) 1.0 -120.0 30.0 2
!! 56
assign (resid 55 and name c ) (resid 56 and name n )
(resid 56 and name ca) (resid 56 and name c ) 1.0 -110.0 50.0 2
!!psi restraints
!!2
assign (resid 2 and name n) (resid 2 and name ca)
(resid 2 and name c) (resid 3 and name n) 1.0 145.0 50.0 2
!!3
assign (resid 3 and name n) (resid 3 and name ca)
(resid 3 and name c) (resid 4 and name n) 1.0 160.0 50.0 2
!!4
assign (resid 4 and name n) (resid 4 and name ca)
(resid 4 and name c) (resid 5 and name n) 1.0 165.0 50.0 2
!!5
assign (resid 5 and name n) (resid 5 and name ca)
(resid 5 and name c) (resid 6 and name n) 1.0 130.0 55.0 2
!!6
assign (resid 6 and name n) (resid 6 and name ca)
(resid 6 and name c) (resid 7 and name n) 1.0 125.0 60.0 2
!!7
assign (resid 7 and name n) (resid 7 and name ca)
(resid 7 and name c) (resid 8 and name n) 1.0 120.0 65.0 2
!!8
assign (resid 8 and name n) (resid 8 and name ca)
(resid 8 and name c) (resid 9 and name n) 1.0 65.0 50.0 2
!!9
!!10
assign (resid 10 and name n) (resid 10 and name ca)
(resid 10 and name c) (resid 11 and name n) 1.0 -30.0 50.0 2
!!11
assign (resid 11 and name n) (resid 11 and name ca)
(resid 11 and name c) (resid 12 and name n) 1.0 -25.0 50.0 2
!!12
assign (resid 12 and name n) (resid 12 and name ca)
(resid 12 and name c) (resid 13 and name n) 1.0 120.0 75.0 2
!!13
assign (resid 13 and name n) (resid 13 and name ca)
(resid 13 and name c) (resid 14 and name n) 1.0 170.0 50.0 2
!!14
assign (resid 14 and name n) (resid 14 and name ca)
(resid 14 and name c) (resid 15 and name n) 1.0 180.0 50.0 2
!!15
assign (resid 15 and name n) (resid 15 and name ca)
(resid 15 and name c) (resid 16 and name n) 1.0 140.0 115.0 2
!!16
assign (resid 16 and name n) (resid 16 and name ca)
(resid 16 and name c) (resid 17 and name n) 1.0 110.0 85.0 2
!!17
assign (resid 17 and name n) (resid 17 and name ca)
(resid 17 and name c) (resid 18 and name n) 1.0 160.0 50.0 2
!!18
assign (resid 18 and name n) (resid 18 and name ca)
(resid 18 and name c) (resid 19 and name n) 1.0 130.0 55.0 2
!!19
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 65.0 2
!!20
assign (resid 20 and name n) (resid 20 and name ca)
(resid 20 and name c) (resid 21 and name n) 1.0 190.0 65.0 2
!!21
assign (resid 21 and name n) (resid 21 and name ca)
(resid 21 and name c) (resid 22 and name n) 1.0 -20.0 50.0 2
!!22
!!23
assign (resid 23 and name n) (resid 23 and name ca)
(resid 23 and name c) (resid 24 and name n) 1.0 -40.0 50.0 2
!!24
assign (resid 24 and name n) (resid 24 and name ca)
(resid 24 and name c) (resid 25 and name n) 1.0 -40.0 50.0 2
!!25
assign (resid 25 and name n) (resid 25 and name ca)
(resid 25 and name c) (resid 26 and name n) 1.0 -40.0 50.0 2
!!26
assign (resid 26 and name n) (resid 26 and name ca)
(resid 26 and name c) (resid 27 and name n) 1.0 -45.0 50.0 2
!!27
assign (resid 27 and name n) (resid 27 and name ca)
(resid 27 and name c) (resid 28 and name n) 1.0 -45.0 50.0 2
!!28
assign (resid 28 and name n) (resid 28 and name ca)
(resid 28 and name c) (resid 29 and name n) 1.0 -40.0 50.0 2
!!29
assign (resid 29 and name n) (resid 29 and name ca)
(resid 29 and name c) (resid 30 and name n) 1.0 -45.0 50.0 2
!!30
assign (resid 30 and name n) (resid 30 and name ca)
(resid 30 and name c) (resid 31 and name n) 1.0 -35.0 50.0 2
!!31
assign (resid 31 and name n) (resid 31 and name ca)
(resid 31 and name c) (resid 32 and name n) 1.0 -35.0 50.0 2
!!32
assign (resid 32 and name n) (resid 32 and name ca)
(resid 32 and name c) (resid 33 and name n) 1.0 -40.0 50.0 2
!!33
assign (resid 33 and name n) (resid 33 and name ca)
(resid 33 and name c) (resid 34 and name n) 1.0 -40.0 50.0 2
!!34
assign (resid 34 and name n) (resid 34 and name ca)
(resid 34 and name c) (resid 35 and name n) 1.0 -45.0 50.0 2
!!35
assign (resid 35 and name n) (resid 35 and name ca)
(resid 35 and name c) (resid 36 and name n) 1.0 -40.0 50.0 2
!!36
assign (resid 36 and name n) (resid 36 and name ca)
(resid 36 and name c) (resid 37 and name n) 1.0 -30.0 60.0 2
!!37
assign (resid 37 and name n) (resid 37 and name ca)
(resid 37 and name c) (resid 38 and name n) 1.0 -10.0 50.0 2
!!38
assign (resid 38 and name n) (resid 38 and name ca)
(resid 38 and name c) (resid 39 and name n) 1.0 15.0 50.0 2
!!39
!!42
assign (resid 42 and name n) (resid 42 and name ca)
(resid 42 and name c) (resid 43 and name n) 1.0 155.0 50.0 2
!!43
assign (resid 43 and name n) (resid 43 and name ca)
(resid 43 and name c) (resid 44 and name n) 1.0 155.0 50.0 2
!!44
assign (resid 44 and name n) (resid 44 and name ca)
(resid 44 and name c) (resid 45 and name n) 1.0 160.0 50.0 2
!!45
assign (resid 45 and name n) (resid 45 and name ca)
(resid 45 and name c) (resid 46 and name n) 1.0 120.0 50.0 2
!!46
assign (resid 46 and name n) (resid 46 and name ca)
(resid 46 and name c) (resid 47 and name n) 1.0 70.0 50.0 2
!!47
assign (resid 47 and name n) (resid 47 and name ca)
(resid 47 and name c) (resid 48 and name n) 1.0 -45.0 50.0 2
!!48
assign (resid 48 and name n) (resid 48 and name ca)
(resid 48 and name c) (resid 49 and name n) 1.0 -40.0 50.0 2
!!49
assign (resid 49 and name n) (resid 49 and name ca)
(resid 49 and name c) (resid 50 and name n) 1.0 0.0 60.0 2
!!50
assign (resid 50 and name n) (resid 50 and name ca)
(resid 50 and name c) (resid 51 and name n) 1.0 15.0 60.0 2
!!51
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 65.0 2
!!52
assign (resid 52 and name n) (resid 52 and name ca)
(resid 52 and name c) (resid 53 and name n) 1.0 160.0 50.0 2
!!53
assign (resid 53 and name n) (resid 53 and name ca)
(resid 53 and name c) (resid 54 and name n) 1.0 170.0 50.0 2
!!54
assign (resid 54 and name n) (resid 54 and name ca)
(resid 54 and name c) (resid 55 and name n) 1.0 145.0 50.0 2
!!55
assign (resid 55 and name n) (resid 55 and name ca)
(resid 55 and name c) (resid 56 and name n) 1.0 130.0 55.0 2
!!
!!chi
!!1
!!2
assign (resid 2 and name n) (resid 2 and name ca)
(resid 2 and name cb) (resid 2 and name og1) 1.0 -60.0 30.0 2
!!3
assign (resid 3 and name n) (resid 3 and name ca)
(resid 3 and name cb) (resid 3 and name cg) 1.0 -60.0 20.0 2
!!4
assign (resid 4 and name n) (resid 4 and name ca)
(resid 4 and name cb) (resid 4 and name cg) 1.0 180.0 30.0 2
!!5
assign (resid 5 and name n) (resid 5 and name ca)
(resid 5 and name cb) (resid 5 and name cg) 1.0 180.0 30.0 2
!!6
assign (resid 6 and name n) (resid 6 and name ca)
(resid 6 and name cb) (resid 6 and name cg1) 1.0 -60.0 30.0 2
!!7
assign (resid 7 and name n) (resid 7 and name ca)
(resid 7 and name cb) (resid 7 and name cg) 1.0 -60.0 20.0 2
!!8
!!10
!!11
!!12
assign (resid 12 and name n) (resid 12 and name ca)
(resid 12 and name cb) (resid 12 and name cg) 1.0 180.0 30.0 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 -60.0 20.0 2
!!15
!!16
assign (resid 16 and name n) (resid 16 and name ca)
(resid 16 and name cb) (resid 16 and name og1) 1.0 180.0 20.0 2
!!17
assign (resid 17 and name n) (resid 17 and name ca)
(resid 17 and name cb) (resid 17 and name og1) 1.0 60.0 20.0 2
!!18
assign (resid 18 and name n) (resid 18 and name ca)
(resid 18 and name cb) (resid 18 and name og1) 1.0 180.0 20.0 2
!!19
assign (resid 19 and name n) (resid 19 and name ca)
(resid 19 and name cb) (resid 19 and name cg) 1.0 -120.0 90.0 2
!!21
assign (resid 21 and name n) (resid 21 and name ca)
(resid 21 and name cb) (resid 21 and name cg1) 1.0 -60.0 20.0 2
!!22
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 30.0 2
!!25
!!27
!!28
!!29
assign (resid 29 and name n) (resid 29 and name ca)
(resid 29 and name cb) (resid 29 and name cg1) 1.0 185.0 30.0 2
!!30
assign (resid 30 and name n) (resid 30 and name ca)
(resid 30 and name cb) (resid 30 and name cg) 1.0 -75.0 30.0 2
!!31
!!32
!!33
assign (resid 33 and name n) (resid 33 and name ca)
(resid 33 and name cb) (resid 33 and name cg) 1.0 180.0 30.0 2
!!35
!!36
assign (resid 36 and name n) (resid 36 and name ca)
(resid 36 and name cb) (resid 36 and name cg) 1.0 -70.0 30.0 2
!!37
assign (resid 37 and name n) (resid 37 and name ca)
(resid 37 and name cb) (resid 37 and name cg) 1.0 -60.0 30.0 2
!!39
assign (resid 39 and name n) (resid 39 and name ca)
(resid 39 and name cb) (resid 39 and name cg1) 1.0 180.0 30.0 2
!!40
!!42
assign (resid 42 and name n) (resid 42 and name ca)
(resid 42 and name cb) (resid 42 and name cg) 1.0 -65.0 30.0 2
!!43
assign (resid 43 and name n) (resid 43 and name ca)
(resid 43 and name cb) (resid 43 and name cg) 1.0 -60.0 20.0 2
!!44
assign (resid 44 and name n) (resid 44 and name ca)
(resid 44 and name cb) (resid 44 and name og1) 1.0 65.0 25.0 2
!!45
assign (resid 45 and name n) (resid 45 and name ca)
(resid 45 and name cb) (resid 45 and name cg) 1.0 180.0 20.0 2
!!46
assign (resid 46 and name n) (resid 46 and name ca)
(resid 46 and name cb) (resid 46 and name cg) 1.0 190.0 30.0 2
!!47
assign (resid 47 and name n) (resid 47 and name ca)
(resid 47 and name cb) (resid 47 and name cg) 1.0 175.0 25.0 2
!!49
assign (resid 49 and name n) (resid 49 and name ca)
(resid 49 and name cb) (resid 49 and name og1) 1.0 60.0 30.0 2
!!50
assign (resid 50 and name n) (resid 50 and name ca)
(resid 50 and name cb) (resid 50 and name cg) 1.0 -75.0 30.0 2
!!51
assign (resid 51 and name n) (resid 51 and name ca)
(resid 51 and name cb) (resid 51 and name og1) 1.0 -60.0 30.0 2
!!52
assign (resid 52 and name n) (resid 52 and name ca)
(resid 52 and name cb) (resid 52 and name cg) 1.0 -75.0 40.0 2
!!53
!!54
assign (resid 54 and name n) (resid 54 and name ca)
(resid 54 and name cb) (resid 54 and name cg1) 1.0 65.0 30.0 2
!!55
assign (resid 55 and name n) (resid 55 and name ca)
(resid 55 and name cb) (resid 55 and name og1) 1.0 -60.0 20.0 2
!!56
!chi2: aromatics
assign (resid 3 and name ca) (resid 3 and name cb)
(resid 3 and name cg) (resid 3 and name cd1) 1.0 90.0 35.0 2
assign (resid 30 and name ca) (resid 30 and name cb)
(resid 30 and name cg) (resid 30 and name cd1) 1.0 -90.0 70.0 2
assign (resid 33 and name ca) (resid 33 and name cb)
(resid 33 and name cg) (resid 33 and name cd1) 1.0 -90.0 35.0 2
assign (resid 43 and name ca) (resid 43 and name cb)
(resid 43 and name cg) (resid 43 and name cd1) 1.0 90.0 35.0 2
assign (resid 45 and name ca) (resid 45 and name cb)
(resid 45 and name cg) (resid 45 and name cd1) 1.0 -90.0 35.0 2
assign (resid 52 and name ca) (resid 52 and name cb)
(resid 52 and name cg) (resid 52 and name cd1) 1.0 -90.0 35.0 2
!chi2 leucine
assign (resid 12 and name ca) (resid 12 and name cb)
(resid 12 and name cg) (resid 12 and name cd1) 1.0 60.0 40.0 2
assign (resid 5 and name ca) (resid 5 and name cb)
(resid 5 and name cg) (resid 5 and name cd1) 1.0 60.0 30.0 2
assign (resid 7 and name ca) (resid 7 and name cb)
(resid 7 and name cg) (resid 7 and name cd1) 1.0 180.0 30.0 2
!chi2 glu
assign (resid 27 and name ca) (resid 27 and name cb)
(resid 27 and name cg) (resid 27 and name cd) 1.0 180.0 40.0 2
!chi2 ile
assign (resid 6 and name ca) (resid 6 and name cb)
(resid 6 and name cg1) (resid 6 and name cd) 1.0 180.0 40.0 2
!chi2 asp
assign (resid 46 and name ca) (resid 46 and name cb)
(resid 46 and name cg) (resid 46 and name od1) 1.0 0.0 30.0 2
Contact the webmaster for help, if required. Thursday, July 4, 2024 7:51:04 AM GMT (wattos1)