NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
5664 |
1hry   |
cing | 1-original | 11 | XPLOR/CNS | dihedral angle |
!remark phi angle constraints
!! R4
assign (resid 3 and name c ) (resid 4 and name n )
(resid 4 and name ca) (resid 4 and name c ) 1.0 -75.0 10.0 2
!! V5
assign (resid 4 and name c ) (resid 5 and name n )
(resid 5 and name ca) (resid 5 and name c ) 1.0 -88.0 10.0 2
!! K6
assign (resid 5 and name c ) (resid 6 and name n )
(resid 6 and name ca) (resid 6 and name c ) 1.0 -80.0 10.0 2
!! R7
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 30.0 2
!! P8
assign (resid 7 and name c ) (resid 8 and name n )
(resid 8 and name ca) (resid 8 and name c ) 1.0 -57.0 20.0 2
!! M9
assign (resid 8 and name c ) (resid 9 and name n )
(resid 9 and name ca) (resid 9 and name c ) 1.0 -65.0 10.0 2
!! N10
assign (resid 9 and name c ) (resid 10 and name n )
(resid 10 and name ca) (resid 10 and name c ) 1.0 -90.0 30.0 2
!! A11
assign (resid 10 and name c ) (resid 11 and name n )
(resid 11 and name ca) (resid 11 and name c ) 1.0 -40.0 10.0 2
!! F12
assign (resid 11 and name c ) (resid 12 and name n )
(resid 12 and name ca) (resid 12 and name c ) 1.0 -80.0 10.0 2
!! I13
assign (resid 12 and name c ) (resid 13 and name n )
(resid 13 and name ca) (resid 13 and name c ) 1.0 -65.0 10.0 2
!! V14
assign (resid 13 and name c ) (resid 14 and name n )
(resid 14 and name ca) (resid 14 and name c ) 1.0 -53.0 10.0 2
!! W15
assign (resid 14 and name c ) (resid 15 and name n )
(resid 15 and name ca) (resid 15 and name c ) 1.0 -55.0 10.0 2
!! S16
assign (resid 15 and name c ) (resid 16 and name n )
(resid 16 and name ca) (resid 16 and name c ) 1.0 -45.0 20.0 2
!! R17
assign (resid 16 and name c ) (resid 17 and name n )
(resid 17 and name ca) (resid 17 and name c ) 1.0 -40.0 10.0 2
!! D18
assign (resid 17 and name c ) (resid 18 and name n )
(resid 18 and name ca) (resid 18 and name c ) 1.0 -73.0 10.0 2
!! Q19
assign (resid 18 and name c ) (resid 19 and name n )
(resid 19 and name ca) (resid 19 and name c ) 1.0 -63.0 10.0 2
!! R20
assign (resid 19 and name c ) (resid 20 and name n )
(resid 20 and name ca) (resid 20 and name c ) 1.0 -48.0 10.0 2
!! R21
assign (resid 20 and name c ) (resid 21 and name n )
(resid 21 and name ca) (resid 21 and name c ) 1.0 -63.0 10.0 2
!! K22
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca) (resid 22 and name c ) 1.0 -68.0 10.0 2
!! M23
assign (resid 22 and name c ) (resid 23 and name n )
(resid 23 and name ca) (resid 23 and name c ) 1.0 -63.0 10.0 2
!! A24
assign (resid 23 and name c ) (resid 24 and name n )
(resid 24 and name ca) (resid 24 and name c ) 1.0 -70.0 10.0 2
!! L25
assign (resid 24 and name c ) (resid 25 and name n )
(resid 25 and name ca) (resid 25 and name c ) 1.0 -67.0 10.0 2
!! Q26
assign (resid 25 and name c ) (resid 26 and name n )
(resid 26 and name ca) (resid 26 and name c ) 1.0 -78.0 10.0 2
!! N27
assign (resid 26 and name c ) (resid 27 and name n )
(resid 27 and name ca) (resid 27 and name c ) 1.0 -120.0 20.0 2
!! P28
assign (resid 27 and name c ) (resid 28 and name n )
(resid 28 and name ca) (resid 28 and name c ) 1.0 -57.0 30.0 2
!! R29
assign (resid 28 and name c ) (resid 29 and name n )
(resid 29 and name ca) (resid 29 and name c ) 1.0 -120.0 15.0 2
!! N30
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 10.0 2
!! R31
assign (resid 30 and name c ) (resid 31 and name n )
(resid 31 and name ca) (resid 31 and name c ) 1.0 -75.0 10.0 2
!! S33
assign (resid 32 and name c ) (resid 33 and name n )
(resid 33 and name ca) (resid 33 and name c ) 1.0 -90.0 30.0 2
!! E34
assign (resid 33 and name c ) (resid 34 and name n )
(resid 34 and name ca) (resid 34 and name c ) 1.0 -85.0 10.0 2
!! I35
assign (resid 34 and name c ) (resid 35 and name n )
(resid 35 and name ca) (resid 35 and name c ) 1.0 -50.0 10.0 2
!! S36
assign (resid 35 and name c ) (resid 36 and name n )
(resid 36 and name ca) (resid 36 and name c ) 1.0 -70.0 20.0 2
!! K37
assign (resid 36 and name c ) (resid 37 and name n )
(resid 37 and name ca) (resid 37 and name c ) 1.0 -63.0 10.0 2
!! Q38
assign (resid 37 and name c ) (resid 38 and name n )
(resid 38 and name ca) (resid 38 and name c ) 1.0 -68.0 10.0 2
!! L39
assign (resid 38 and name c ) (resid 39 and name n )
(resid 39 and name ca) (resid 39 and name c ) 1.0 -60.0 10.0 2
!! G40
assign (resid 39 and name c ) (resid 40 and name n )
(resid 40 and name ca) (resid 40 and name c ) 1.0 -58.0 10.0 2
!! Y41
assign (resid 40 and name c ) (resid 41 and name n )
(resid 41 and name ca) (resid 41 and name c ) 1.0 -60.0 10.0 2
!! Q42
assign (resid 41 and name c ) (resid 42 and name n )
(resid 42 and name ca) (resid 42 and name c ) 1.0 -65.0 10.0 2
!! W43
assign (resid 42 and name c ) (resid 43 and name n )
(resid 43 and name ca) (resid 43 and name c ) 1.0 -70.0 20.0 2
!! K44
assign (resid 43 and name c ) (resid 44 and name n )
(resid 44 and name ca) (resid 44 and name c ) 1.0 -65.0 10.0 2
!! M45
assign (resid 44 and name c ) (resid 45 and name n )
(resid 45 and name ca) (resid 45 and name c ) 1.0 -148.0 10.0 2
!! L46
assign (resid 45 and name c ) (resid 46 and name n )
(resid 46 and name ca) (resid 46 and name c ) 1.0 -65.0 20.0 2
!! T47
assign (resid 46 and name c ) (resid 47 and name n )
(resid 47 and name ca) (resid 47 and name c ) 1.0 -75.0 10.0 2
!! E48
assign (resid 47 and name c ) (resid 48 and name n )
(resid 48 and name ca) (resid 48 and name c ) 1.0 -50.0 20.0 2
!! A49
assign (resid 48 and name c ) (resid 49 and name n )
(resid 49 and name ca) (resid 49 and name c ) 1.0 -63.0 10.0 2
!! E50
assign (resid 49 and name c ) (resid 50 and name n )
(resid 50 and name ca) (resid 50 and name c ) 1.0 -90.0 20.0 2
!! K51
assign (resid 50 and name c ) (resid 51 and name n )
(resid 51 and name ca) (resid 51 and name c ) 1.0 -75.0 10.0 2
!! W52
assign (resid 51 and name c ) (resid 52 and name n )
(resid 52 and name ca) (resid 52 and name c ) 1.0 -43.0 10.0 2
!! P53
assign (resid 52 and name c ) (resid 53 and name n )
(resid 53 and name ca) (resid 53 and name c ) 1.0 -57.0 30.0 2
!! F54
assign (resid 53 and name c ) (resid 54 and name n )
(resid 54 and name ca) (resid 54 and name c ) 1.0 -75.0 20.0 2
!! F55
assign (resid 54 and name c ) (resid 55 and name n )
(resid 55 and name ca) (resid 55 and name c ) 1.0 -75.0 15.0 2
!! D56
assign (resid 55 and name c ) (resid 56 and name n )
(resid 56 and name ca) (resid 56 and name c ) 1.0 -55.0 10.0 2
!! E57
assign (resid 56 and name c ) (resid 57 and name n )
(resid 57 and name ca) (resid 57 and name c ) 1.0 -63.0 10.0 2
!! A58
assign (resid 57 and name c ) (resid 58 and name n )
(resid 58 and name ca) (resid 58 and name c ) 1.0 -55.0 10.0 2
!! Q59
assign (resid 58 and name c ) (resid 59 and name n )
(resid 59 and name ca) (resid 59 and name c ) 1.0 -70.0 10.0 2
!! K60
assign (resid 59 and name c ) (resid 60 and name n )
(resid 60 and name ca) (resid 60 and name c ) 1.0 -63.0 10.0 2
!! L61
assign (resid 60 and name c ) (resid 61 and name n )
(resid 61 and name ca) (resid 61 and name c ) 1.0 -40.0 20.0 2
!! Q62
assign (resid 61 and name c ) (resid 62 and name n )
(resid 62 and name ca) (resid 62 and name c ) 1.0 -63.0 10.0 2
!! A63
assign (resid 62 and name c ) (resid 63 and name n )
(resid 63 and name ca) (resid 63 and name c ) 1.0 -60.0 10.0 2
!! M64
assign (resid 63 and name c ) (resid 64 and name n )
(resid 64 and name ca) (resid 64 and name c ) 1.0 -65.0 10.0 2
!! H65
assign (resid 64 and name c ) (resid 65 and name n )
(resid 65 and name ca) (resid 65 and name c ) 1.0 -63.0 10.0 2
!! R66
assign (resid 65 and name c ) (resid 66 and name n )
(resid 66 and name ca) (resid 66 and name c ) 1.0 -65.0 10.0 2
!! E67
assign (resid 66 and name c ) (resid 67 and name n )
(resid 67 and name ca) (resid 67 and name c ) 1.0 -75.0 10.0 2
!! K68
assign (resid 67 and name c ) (resid 68 and name n )
(resid 68 and name ca) (resid 68 and name c ) 1.0 -83.0 10.0 2
!! Y69
assign (resid 68 and name c ) (resid 69 and name n )
(resid 69 and name ca) (resid 69 and name c ) 1.0 -130.0 20.0 2
!! P70
assign (resid 69 and name c ) (resid 70 and name n )
(resid 70 and name ca) (resid 70 and name c ) 1.0 -60.0 30.0 2
!! N71
assign (resid 70 and name c ) (resid 71 and name n )
(resid 71 and name ca) (resid 71 and name c ) 1.0 -60.0 60.0 2
!! Y72
assign (resid 71 and name c ) (resid 72 and name n )
(resid 72 and name ca) (resid 72 and name c ) 1.0 -60.0 30.0 2
!! K73
assign (resid 72 and name c ) (resid 73 and name n )
(resid 73 and name ca) (resid 73 and name c ) 1.0 -120.0 20.0 2
!! Y74
assign (resid 73 and name c ) (resid 74 and name n )
(resid 74 and name ca) (resid 74 and name c ) 1.0 -60.0 20.0 2
!! R75
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 20.0 2
!psi restraints
!!D3
assign (resid 3 and name n ) (resid 3 and name ca )
(resid 3 and name c) (resid 4 and name n ) 1.0 -100.0 20.0 2
!!r4
assign (resid 4 and name n ) (resid 4 and name ca )
(resid 4 and name c) (resid 5 and name n ) 1.0 100.0 40.0 2
!!v5
assign (resid 5 and name n ) (resid 5 and name ca )
(resid 5 and name c) (resid 6 and name n ) 1.0 160.0 30.0 2
!!k6
assign (resid 6 and name n ) (resid 6 and name ca )
(resid 6 and name c) (resid 7 and name n ) 1.0 150.0 30.0 2
!!Y69
assign (resid 69 and name n ) (resid 69 and name ca )
(resid 69 and name c) (resid 70 and name n ) 1.0 70.0 30.0 2
!!P70
assign (resid 70 and name n ) (resid 70 and name ca )
(resid 70 and name c) (resid 71 and name n ) 1.0 -60.0 30.0 2
!!N71
assign (resid 71 and name n ) (resid 71 and name ca )
(resid 71 and name c) (resid 72 and name n ) 1.0 0.0 30.0 2
!!Y72
assign (resid 72 and name n ) (resid 72 and name ca )
(resid 72 and name c) (resid 73 and name n ) 1.0 90.0 30.0 2
!!K73
assign (resid 73 and name n ) (resid 73 and name ca )
(resid 73 and name c) (resid 74 and name n ) 1.0 160.0 35.0 2
!!Y74
assign (resid 74 and name n ) (resid 74 and name ca )
(resid 74 and name c) (resid 75 and name n ) 1.0 145.0 35.0 2
!chi1 restraints
!!R4
assign (resid 4 and name n) (resid 4 and name ca)
(resid 4 and name cb) (resid 4 and name cg) 1.0 -60.0 20.0 2
!!V5
assign (resid 5 and name n) (resid 5 and name ca)
(resid 5 and name cb) (resid 5 and name cg1) 1.0 180.0 20.0 2
!!K6
!!R7
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
!!M9
assign (resid 9 and name n) (resid 9 and name ca)
(resid 9 and name cb) (resid 9 and name cg) 1.0 -60.0 20.0 2
!!N10
assign (resid 10 and name n) (resid 10 and name ca)
(resid 10 and name cb) (resid 10 and name cg) 1.0 -60.0 20.0 2
!!F12
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 20.0 2
!!I13
assign (resid 13 and name n) (resid 13 and name ca)
(resid 13 and name cb) (resid 13 and name cg1) 1.0 -60.0 20.0 2
!!V14
assign (resid 14 and name n) (resid 14 and name ca)
(resid 14 and name cb) (resid 14 and name cg1) 1.0 180.0 20.0 2
!!W15
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 20.0 2
!!S16
assign (resid 16 and name n) (resid 16 and name ca)
(resid 16 and name cb) (resid 16 and name og) 1.0 180.0 20.0 2
!!R17
assign (resid 17 and name n) (resid 17 and name ca)
(resid 17 and name cb) (resid 17 and name cg) 1.0 -60.0 20.0 2
!!D18
assign (resid 18 and name n) (resid 18 and name ca)
(resid 18 and name cb) (resid 18 and name cg) 1.0 -60.0 20.0 2
!!Q19
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 20.0 2
!!R20
!!R21
assign (resid 21 and name n) (resid 21 and name ca)
(resid 21 and name cb) (resid 21 and name cg) 1.0 180.0 20.0 2
!!K22
assign (resid 22 and name n) (resid 22 and name ca)
(resid 22 and name cb) (resid 22 and name cg) 1.0 180.0 20.0 2
!!M23
assign (resid 23 and name n) (resid 23 and name ca)
(resid 23 and name cb) (resid 23 and name cg) 1.0 180.0 20.0 2
!!L25
assign (resid 25 and name n) (resid 25 and name ca)
(resid 25 and name cb) (resid 25 and name cg) 1.0 -60.0 20.0 2
!!E26
assign (resid 26 and name n) (resid 26 and name ca)
(resid 26 and name cb) (resid 26 and name cg) 1.0 -60.0 20.0 2
!!N27
assign (resid 27 and name n) (resid 27 and name ca)
(resid 27 and name cb) (resid 27 and name cg) 1.0 -60.0 20.0 2
!!R29
assign (resid 29 and name n) (resid 29 and name ca)
(resid 29 and name cb) (resid 29 and name cg) 1.0 -60.0 30.0 2
!!M30
assign (resid 30 and name n) (resid 30 and name ca)
(resid 30 and name cb) (resid 30 and name cg) 1.0 -60.0 20.0 2
!!R31
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 20.0 2
!!S33
assign (resid 33 and name n) (resid 33 and name ca)
(resid 33 and name cb) (resid 33 and name og) 1.0 -60.0 30.0 2
!!R34
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 20.0 2
!!I35
assign (resid 35 and name n) (resid 35 and name ca)
(resid 35 and name cb) (resid 35 and name cg1) 1.0 180.0 20.0 2
!!S36
assign (resid 36 and name n) (resid 36 and name ca)
(resid 36 and name cb) (resid 36 and name og) 1.0 -60.0 20.0 2
!!K37
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 20.0 2
!!Q38
assign (resid 38 and name n) (resid 38 and name ca)
(resid 38 and name cb) (resid 38 and name cg) 1.0 -60.0 20.0 2
!!L39
assign (resid 39 and name n) (resid 39 and name ca)
(resid 39 and name cb) (resid 39 and name cg) 1.0 -60.0 20.0 2
!!Y41
assign (resid 41 and name n) (resid 41 and name ca)
(resid 41 and name cb) (resid 41 and name cg) 1.0 180.0 20.0 2
!!Q42
assign (resid 42 and name n) (resid 42 and name ca)
(resid 42 and name cb) (resid 42 and name cg) 1.0 -60.0 20.0 2
!!W43
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
!!K44
assign (resid 44 and name n) (resid 44 and name ca)
(resid 44 and name cb) (resid 44 and name cg) 1.0 -60.0 20.0 2
!!M45
assign (resid 45 and name n) (resid 45 and name ca)
(resid 45 and name cb) (resid 45 and name cg) 1.0 -60.0 20.0 2
!!L46
assign (resid 46 and name n) (resid 46 and name ca)
(resid 46 and name cb) (resid 46 and name cg) 1.0 -60.0 20.0 2
!!T47
assign (resid 47 and name n) (resid 47 and name ca)
(resid 47 and name cb) (resid 47 and name og1) 1.0 60.0 20.0 2
!!Q48
assign (resid 48 and name n) (resid 48 and name ca)
(resid 48 and name cb) (resid 48 and name cg) 1.0 -60.0 20.0 2
!!E50
assign (resid 50 and name n) (resid 50 and name ca)
(resid 50 and name cb) (resid 50 and name cg) 1.0 -60.0 20.0 2
!!K51
assign (resid 51 and name n) (resid 51 and name ca)
(resid 51 and name cb) (resid 51 and name cg) 1.0 -60.0 20.0 2
!!W52
assign (resid 52 and name n) (resid 52 and name ca)
(resid 52 and name cb) (resid 52 and name cg) 1.0 180.0 20.0 2
!!F54
assign (resid 54 and name n) (resid 54 and name ca)
(resid 54 and name cb) (resid 54 and name cg) 1.0 60.0 20.0 2
!!F55
assign (resid 55 and name n) (resid 55 and name ca)
(resid 55 and name cb) (resid 55 and name cg) 1.0 -60.0 30.0 2
!!Q56
assign (resid 56 and name n) (resid 56 and name ca)
(resid 56 and name cb) (resid 56 and name cg) 1.0 -60.0 20.0 2
!!E57
assign (resid 57 and name n) (resid 57 and name ca)
(resid 57 and name cb) (resid 57 and name cg) 1.0 180.0 20.0 2
!!Q59
assign (resid 59 and name n) (resid 59 and name ca)
(resid 59 and name cb) (resid 59 and name cg) 1.0 -60.0 20.0 2
!!K60
assign (resid 60 and name n) (resid 60 and name ca)
(resid 60 and name cb) (resid 60 and name cg) 1.0 60.0 20.0 2
!!L61
assign (resid 61 and name n) (resid 61 and name ca)
(resid 61 and name cb) (resid 61 and name cg) 1.0 -60.0 20.0 2
!!Q62
!!M64
assign (resid 64 and name n) (resid 64 and name ca)
(resid 64 and name cb) (resid 64 and name cg) 1.0 -60.0 20.0 2
!!H65
assign (resid 65 and name n) (resid 65 and name ca)
(resid 65 and name cb) (resid 65 and name cg) 1.0 -60.0 20.0 2
!!R66
!!K67
assign (resid 67 and name n) (resid 67 and name ca)
(resid 67 and name cb) (resid 67 and name cg) 1.0 -60.0 20.0 2
!!R68
assign (resid 68 and name n) (resid 68 and name ca)
(resid 68 and name cb) (resid 68 and name cg) 1.0 -60.0 20.0 2
!!Y69
assign (resid 69 and name n) (resid 69 and name ca)
(resid 69 and name cb) (resid 69 and name cg) 1.0 -60.0 20.0 2
!!N71
assign (resid 71 and name n) (resid 71 and name ca)
(resid 71 and name cb) (resid 71 and name cg) 1.0 -60.0 20.0 2
!!Y72
assign (resid 72 and name n) (resid 72 and name ca)
(resid 72 and name cb) (resid 72 and name cg) 1.0 180.0 20.0 2
!!K73
assign (resid 73 and name n) (resid 73 and name ca)
(resid 73 and name cb) (resid 73 and name cg) 1.0 -60.0 20.0 2
!!Y74
assign (resid 74 and name n) (resid 74 and name ca)
(resid 74 and name cb) (resid 74 and name cg) 1.0 -60.0 20.0 2
!!R75
!chi2 restraints aromatics
!!F12
assign (resid 12 and name ca) (resid 12 and name cb)
(resid 12 and name cg) (resid 12 and name cd1) 1.0 90.0 20.0 2
!!W15
assign (resid 15 and name ca) (resid 15 and name cb)
(resid 15 and name cg) (resid 15 and name cd1) 1.0 -50.0 20.0 2
!!Y41
assign (resid 41 and name ca) (resid 41 and name cb)
(resid 41 and name cg) (resid 41 and name cd1) 1.0 90.0 20.0 2
!!W52
assign (resid 52 and name ca) (resid 52 and name cb)
(resid 52 and name cg) (resid 52 and name cd1) 1.0 60.0 20.0 2
!!F54
assign (resid 54 and name ca) (resid 54 and name cb)
(resid 54 and name cg) (resid 54 and name cd1) 1.0 90.0 20.0 2
!!F55
assign (resid 55 and name ca) (resid 55 and name cb)
(resid 55 and name cg) (resid 55 and name cd1) 1.0 90.0 20.0 2
!!H65
assign (resid 65 and name ca) (resid 65 and name cb)
(resid 65 and name cg) (resid 65 and name nd1) 1.0 180.0 30.0 2
!!Y69
assign (resid 69 and name ca) (resid 69 and name cb)
(resid 69 and name cg) (resid 69 and name cd1) 1.0 90.0 30.0 2
!!Y72
assign (resid 72 and name ca) (resid 72 and name cb)
(resid 72 and name cg) (resid 72 and name cd1) 1.0 90.0 30.0 2
!!Y74
assign (resid 74 and name ca) (resid 74 and name cb)
(resid 74 and name cg) (resid 74 and name cd1) 1.0 90.0 30.0 2
!chi2 restraints on aliphatics
!!I13
assign (resid 13 and name ca) (resid 13 and name cb)
(resid 13 and name cg1) (resid 13 and name cd1) 1.0 180.0 20.0 2
!!L25
assign (resid 25 and name ca) (resid 25 and name cb)
(resid 25 and name cg) (resid 25 and name cd1) 1.0 180.0 20.0 2
!!I35
assign (resid 35 and name ca) (resid 35 and name cb)
(resid 35 and name cg1) (resid 35 and name cd1) 1.0 -60.0 20.0 2
!!L39
assign (resid 39 and name ca) (resid 39 and name cb)
(resid 39 and name cg) (resid 39 and name cd1) 1.0 180.0 20.0 2
!!L46
assign (resid 46 and name ca) (resid 46 and name cb)
(resid 46 and name cg) (resid 46 and name cd1) 1.0 180.0 20.0 2
!!L61
assign (resid 61 and name ca) (resid 61 and name cb)
(resid 61 and name cg) (resid 61 and name cd1) 1.0 -60.0 20.0 2
!DNA torsions
!dihedral restraints on epsilon, zeta, alpha and beta.
assign (resid 201 and name c4') (resid 201 and name c3')
(resid 201 and name o3') (resid 202 and name p ) 1.0 -180.0 50.0 2
assign (resid 201 and name c3') (resid 201 and name o3')
(resid 202 and name p ) (resid 202 and name o5') 1.0 -85.0 50.0 2
assign (resid 201 and name o3') (resid 202 and name p )
(resid 202 and name o5') (resid 202 and name c5') 1.0 -60.0 50.0 2
assign (resid 202 and name p ) (resid 202 and name o5')
(resid 202 and name c5') (resid 202 and name c4') 1.0 180.0 50.0 2
assign (resid 202 and name c4') (resid 202 and name c3')
(resid 202 and name o3') (resid 203 and name p ) 1.0 -180.0 50.0 2
assign (resid 202 and name c3') (resid 202 and name o3')
(resid 203 and name p ) (resid 203 and name o5') 1.0 -85.0 50.0 2
assign (resid 202 and name o3') (resid 203 and name p )
(resid 203 and name o5') (resid 203 and name c5') 1.0 -60.0 50.0 2
assign (resid 203 and name p ) (resid 203 and name o5')
(resid 203 and name c5') (resid 203 and name c4') 1.0 180.0 50.0 2
assign (resid 203 and name c4') (resid 203 and name c3')
(resid 203 and name o3') (resid 204 and name p ) 1.0 -180.0 50.0 2
assign (resid 203 and name c3') (resid 203 and name o3')
(resid 204 and name p ) (resid 204 and name o5') 1.0 -85.0 50.0 2
assign (resid 203 and name o3') (resid 204 and name p )
(resid 204 and name o5') (resid 204 and name c5') 1.0 -60.0 50.0 2
assign (resid 204 and name p ) (resid 204 and name o5')
(resid 204 and name c5') (resid 204 and name c4') 1.0 180.0 50.0 2
assign (resid 204 and name c4') (resid 204 and name c3')
(resid 204 and name o3') (resid 205 and name p ) 1.0 -180.0 50.0 2
assign (resid 204 and name c3') (resid 204 and name o3')
(resid 205 and name p ) (resid 205 and name o5') 1.0 -85.0 50.0 2
assign (resid 204 and name o3') (resid 205 and name p )
(resid 205 and name o5') (resid 205 and name c5') 1.0 -60.0 50.0 2
assign (resid 205 and name p ) (resid 205 and name o5')
(resid 205 and name c5') (resid 205 and name c4') 1.0 180.0 50.0 2
assign (resid 205 and name c4') (resid 205 and name c3')
(resid 205 and name o3') (resid 206 and name p ) 1.0 -180.0 50.0 2
assign (resid 205 and name c3') (resid 205 and name o3')
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assign (resid 205 and name o3') (resid 206 and name p )
(resid 206 and name o5') (resid 206 and name c5') 1.0 -60.0 50.0 2
assign (resid 206 and name p ) (resid 206 and name o5')
(resid 206 and name c5') (resid 206 and name c4') 1.0 180.0 50.0 2
assign (resid 206 and name c4') (resid 206 and name c3')
(resid 206 and name o3') (resid 207 and name p ) 1.0 -180.0 50.0 2
assign (resid 206 and name c3') (resid 206 and name o3')
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assign (resid 206 and name o3') (resid 207 and name p )
(resid 207 and name o5') (resid 207 and name c5') 1.0 -60.0 50.0 2
assign (resid 207 and name p ) (resid 207 and name o5')
(resid 207 and name c5') (resid 207 and name c4') 1.0 180.0 50.0 2
assign (resid 207 and name c4') (resid 207 and name c3')
(resid 207 and name o3') (resid 208 and name p ) 1.0 -180.0 50.0 2
assign (resid 207 and name c3') (resid 207 and name o3')
(resid 208 and name p ) (resid 208 and name o5') 1.0 -85.0 50.0 2
assign (resid 207 and name o3') (resid 208 and name p )
(resid 208 and name o5') (resid 208 and name c5') 1.0 -60.0 50.0 2
assign (resid 208 and name p ) (resid 208 and name o5')
(resid 208 and name c5') (resid 208 and name c4') 1.0 180.0 50.0 2
assign (resid 209 and name c4') (resid 209 and name c3')
(resid 209 and name o3') (resid 210 and name p ) 1.0 -180.0 50.0 2
assign (resid 209 and name c3') (resid 209 and name o3')
(resid 210 and name p ) (resid 210 and name o5') 1.0 -85.0 50.0 2
assign (resid 209 and name o3') (resid 210 and name p )
(resid 210 and name o5') (resid 210 and name c5') 1.0 -60.0 50.0 2
assign (resid 210 and name p ) (resid 210 and name o5')
(resid 210 and name c5') (resid 210 and name c4') 1.0 180.0 50.0 2
assign (resid 210 and name c4') (resid 210 and name c3')
(resid 210 and name o3') (resid 211 and name p ) 1.0 -180.0 50.0 2
assign (resid 210 and name c3') (resid 210 and name o3')
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assign (resid 210 and name o3') (resid 211 and name p )
(resid 211 and name o5') (resid 211 and name c5') 1.0 -60.0 50.0 2
assign (resid 211 and name p ) (resid 211 and name o5')
(resid 211 and name c5') (resid 211 and name c4') 1.0 180.0 50.0 2
assign (resid 211 and name c4') (resid 211 and name c3')
(resid 211 and name o3') (resid 212 and name p ) 1.0 -180.0 50.0 2
assign (resid 211 and name c3') (resid 211 and name o3')
(resid 212 and name p ) (resid 212 and name o5') 1.0 -85.0 50.0 2
assign (resid 211 and name o3') (resid 212 and name p )
(resid 212 and name o5') (resid 212 and name c5') 1.0 -60.0 50.0 2
assign (resid 212 and name p ) (resid 212 and name o5')
(resid 212 and name c5') (resid 212 and name c4') 1.0 180.0 50.0 2
assign (resid 212 and name c4') (resid 212 and name c3')
(resid 212 and name o3') (resid 213 and name p ) 1.0 -180.0 50.0 2
assign (resid 212 and name c3') (resid 212 and name o3')
(resid 213 and name p ) (resid 213 and name o5') 1.0 -85.0 50.0 2
assign (resid 212 and name o3') (resid 213 and name p )
(resid 213 and name o5') (resid 213 and name c5') 1.0 -60.0 50.0 2
assign (resid 213 and name p ) (resid 213 and name o5')
(resid 213 and name c5') (resid 213 and name c4') 1.0 180.0 50.0 2
assign (resid 213 and name c4') (resid 213 and name c3')
(resid 213 and name o3') (resid 214 and name p ) 1.0 -180.0 50.0 2
assign (resid 213 and name c3') (resid 213 and name o3')
(resid 214 and name p ) (resid 214 and name o5') 1.0 -85.0 50.0 2
assign (resid 213 and name o3') (resid 214 and name p )
(resid 214 and name o5') (resid 214 and name c5') 1.0 -60.0 50.0 2
assign (resid 214 and name p ) (resid 214 and name o5')
(resid 214 and name c5') (resid 214 and name c4') 1.0 180.0 50.0 2
assign (resid 214 and name c4') (resid 214 and name c3')
(resid 214 and name o3') (resid 215 and name p ) 1.0 -180.0 50.0 2
assign (resid 214 and name c3') (resid 214 and name o3')
(resid 215 and name p ) (resid 215 and name o5') 1.0 -85.0 50.0 2
assign (resid 214 and name o3') (resid 215 and name p )
(resid 215 and name o5') (resid 215 and name c5') 1.0 -60.0 50.0 2
assign (resid 215 and name p ) (resid 215 and name o5')
(resid 215 and name c5') (resid 215 and name c4') 1.0 180.0 50.0 2
assign (resid 215 and name c4') (resid 215 and name c3')
(resid 215 and name o3') (resid 216 and name p ) 1.0 -180.0 50.0 2
assign (resid 215 and name c3') (resid 215 and name o3')
(resid 216 and name p ) (resid 216 and name o5') 1.0 -85.0 50.0 2
assign (resid 215 and name o3') (resid 216 and name p )
(resid 216 and name o5') (resid 216 and name c5') 1.0 -60.0 50.0 2
assign (resid 216 and name p ) (resid 216 and name o5')
(resid 216 and name c5') (resid 216 and name c4') 1.0 180.0 50.0 2
!dihedral restraints on delta 90 +/- 50
assign (resid 201 and name c5') (resid 201 and name c4')
(resid 201 and name c3') (resid 201 and name o3') 1.0 90.0 80.0 2
assign (resid 202 and name c5') (resid 202 and name c4')
(resid 202 and name c3') (resid 202 and name o3') 1.0 90.0 50.0 2
assign (resid 203 and name c5') (resid 203 and name c4')
(resid 203 and name c3') (resid 203 and name o3') 1.0 90.0 50.0 2
assign (resid 204 and name c5') (resid 204 and name c4')
(resid 204 and name c3') (resid 204 and name o3') 1.0 90.0 50.0 2
assign (resid 205 and name c5') (resid 205 and name c4')
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assign (resid 206 and name c5') (resid 206 and name c4')
(resid 206 and name c3') (resid 206 and name o3') 1.0 90.0 50.0 2
assign (resid 207 and name c5') (resid 207 and name c4')
(resid 207 and name c3') (resid 207 and name o3') 1.0 90.0 80.0 2
assign (resid 208 and name c5') (resid 208 and name c4')
(resid 208 and name c3') (resid 208 and name o3') 1.0 90.0 50.0 2
assign (resid 209 and name c5') (resid 209 and name c4')
(resid 209 and name c3') (resid 209 and name o3') 1.0 90.0 80.0 2
assign (resid 210 and name c5') (resid 210 and name c4')
(resid 210 and name c3') (resid 210 and name o3') 1.0 90.0 50.0 2
assign (resid 211 and name c5') (resid 211 and name c4')
(resid 211 and name c3') (resid 211 and name o3') 1.0 90.0 50.0 2
assign (resid 212 and name c5') (resid 212 and name c4')
(resid 212 and name c3') (resid 212 and name o3') 1.0 90.0 50.0 2
assign (resid 213 and name c5') (resid 213 and name c4')
(resid 213 and name c3') (resid 213 and name o3') 1.0 90.0 80.0 2
assign (resid 214 and name c5') (resid 214 and name c4')
(resid 214 and name c3') (resid 214 and name o3') 1.0 90.0 50.0 2
assign (resid 215 and name c5') (resid 215 and name c4')
(resid 215 and name c3') (resid 215 and name o3') 1.0 90.0 50.0 2
assign (resid 216 and name c5') (resid 216 and name c4')
(resid 216 and name c3') (resid 216 and name o3') 1.0 90.0 50.0 2
!constraints on gamma: 60 +/-35
assign (resid 201 and name o5') (resid 201 and name c5')
(resid 201 and name c4') (resid 201 and name c3') 1.0 60.0 35.0 2
assign (resid 202 and name o5') (resid 202 and name c5')
(resid 202 and name c4') (resid 202 and name c3') 1.0 60.0 35.0 2
assign (resid 203 and name o5') (resid 203 and name c5')
(resid 203 and name c4') (resid 203 and name c3') 1.0 60.0 35.0 2
assign (resid 204 and name o5') (resid 204 and name c5')
(resid 204 and name c4') (resid 204 and name c3') 1.0 60.0 35.0 2
assign (resid 205 and name o5') (resid 205 and name c5')
(resid 205 and name c4') (resid 205 and name c3') 1.0 60.0 35.0 2
assign (resid 206 and name o5') (resid 206 and name c5')
(resid 206 and name c4') (resid 206 and name c3') 1.0 60.0 35.0 2
assign (resid 207 and name o5') (resid 207 and name c5')
(resid 207 and name c4') (resid 207 and name c3') 1.0 60.0 35.0 2
assign (resid 208 and name o5') (resid 208 and name c5')
(resid 208 and name c4') (resid 208 and name c3') 1.0 60.0 35.0 2
assign (resid 209 and name o5') (resid 209 and name c5')
(resid 209 and name c4') (resid 209 and name c3') 1.0 60.0 35.0 2
assign (resid 210 and name o5') (resid 210 and name c5')
(resid 210 and name c4') (resid 210 and name c3') 1.0 60.0 35.0 2
assign (resid 211 and name o5') (resid 211 and name c5')
(resid 211 and name c4') (resid 211 and name c3') 1.0 60.0 35.0 2
assign (resid 212 and name o5') (resid 212 and name c5')
(resid 212 and name c4') (resid 212 and name c3') 1.0 60.0 35.0 2
assign (resid 213 and name o5') (resid 213 and name c5')
(resid 213 and name c4') (resid 213 and name c3') 1.0 60.0 35.0 2
assign (resid 214 and name o5') (resid 214 and name c5')
(resid 214 and name c4') (resid 214 and name c3') 1.0 60.0 35.0 2
assign (resid 215 and name o5') (resid 215 and name c5')
(resid 215 and name c4') (resid 215 and name c3') 1.0 60.0 35.0 2
assign (resid 216 and name o5') (resid 216 and name c5')
(resid 216 and name c4') (resid 216 and name c3') 1.0 60.0 35.0 2
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