NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
|
|
2416 |
1bvm   |
cing | recoord | 1-original | 3 | XPLOR/CNS | dihedral angle |
!****************************
!Dihedral angle constraints *
!****************************
!
!!
!! Phi restraints: minimum deviation = 30 degrees
!----------------------------------------------------------------------
!!chi
!----------------------------------------------------------------------
!! Q4
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 30.0 2
!! M8
assign (resid 8 and name n) (resid 8 and name ca)
(resid 8 and name cb) (resid 8 and name cg) 1.0 -60.0 30.0 2
!! I9
assign (resid 9 and name n) (resid 9 and name ca)
(resid 9 and name cb) (resid 9 and name cg1) 1.0 -60.0 30.0 2
!! K10
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 30.0 2
!! C11
assign (resid 11 and name n) (resid 11 and name ca)
(resid 11 and name cb) (resid 11 and name sg) 1.0 180.0 20.0 2
!! K12
assign (resid 12 and name n) (resid 12 and name ca)
(resid 12 and name cb) (resid 12 and name cg) 1.0 -60.0 30.0 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 30.0 2
!! S15
assign (resid 15 and name n) (resid 15 and name ca)
(resid 15 and name cb) (resid 15 and name og) 1.0 60.0 30.0 2
!! E17
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 30.0 2
!! Y28
assign (resid 28 and name n) (resid 28 and name ca)
(resid 28 and name cb) (resid 28 and name cg) 1.0 -60.0 30.0 2
!! C29
assign (resid 29 and name n) (resid 29 and name ca)
(resid 29 and name cb) (resid 29 and name sg) 1.0 -60.0 30.0 2
!! T36
assign (resid 36 and name n) (resid 36 and name ca)
(resid 36 and name cb) (resid 36 and name og1) 1.0 -60.0 30.0 2
!! V38
assign (resid 38 and name n) (resid 38 and name ca)
(resid 38 and name cb) (resid 36 and name cg1) 1.0 -60.0 30.0 2
!! L41
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
!! R43
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 30.0 2
!! C44
assign (resid 44 and name n) (resid 44 and name ca)
(resid 44 and name cb) (resid 44 and name sg) 1.0 -60.0 30.0 2
!! C45
assign (resid 45 and name n) (resid 45 and name ca)
(resid 45 and name cb) (resid 45 and name sg) 1.0 -60.0 30.0 2
!! Q46
assign (resid 46 and name n) (resid 46 and name ca)
(resid 46 and name cb) (resid 46 and name cg) 1.0 180.0 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 30.0 2
!! H48
assign (resid 48 and name n) (resid 48 and name ca)
(resid 48 and name cb) (resid 48 and name cg) 1.0 180.0 20.0 2
!! D49
assign (resid 49 and name n) (resid 49 and name ca)
(resid 49 and name cb) (resid 49 and name cg) 1.0 -60.0 30.0 2
!! N50
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 30.0 2
!! C51
assign (resid 51 and name n) (resid 51 and name ca)
(resid 51 and name cb) (resid 51 and name sg) 1.0 180.0 20.0 2
!! Y52
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 30.0 2
!! K53
assign (resid 53 and name n) (resid 53 and name ca)
(resid 53 and name cb) (resid 53 and name cg) 1.0 -60.0 30.0 2
!! Q54
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 30.0 2
!! K56
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 30.0 2
!! C61
assign (resid 61 and name n) (resid 61 and name ca)
(resid 61 and name cb) (resid 61 and name sg) 1.0 -60.0 30.0 2
!! L64
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 30.0 2
!! N71
assign (resid 71 and name n) (resid 71 and name ca)
(resid 71 and name cb) (resid 71 and name cg) 1.0 180.0 20.0 2
!! C77
assign (resid 77 and name n) (resid 77 and name ca)
(resid 77 and name cb) (resid 77 and name sg) 1.0 180.0 20.0 2
!! N80
assign (resid 80 and name n) (resid 80 and name ca)
(resid 80 and name cb) (resid 80 and name cg) 1.0 -60.0 30.0 2
!! E81
assign (resid 81 and name n) (resid 81 and name ca)
(resid 81 and name cb) (resid 81 and name cg) 1.0 -60.0 30.0 2
!! I82
assign (resid 82 and name n) (resid 82 and name ca)
(resid 82 and name cb) (resid 82 and name cg1) 1.0 -60.0 30.0 2
!! T83
assign (resid 83 and name n) (resid 83 and name ca)
(resid 83 and name cb) (resid 83 and name og1) 1.0 -60.0 30.0 2
!! S86
assign (resid 86 and name n) (resid 86 and name ca)
(resid 86 and name cb) (resid 86 and name og) 1.0 60.0 30.0 2
!! E87
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 30.0 2
!! N88
assign (resid 88 and name n) (resid 88 and name ca)
(resid 88 and name cb) (resid 88 and name cg) 1.0 -60.0 30.0 2
!! F94
assign (resid 94 and name n) (resid 94 and name ca)
(resid 94 and name cb) (resid 94 and name cg) 1.0 180.0 20.0 2
!! I95
assign (resid 95 and name n) (resid 95 and name ca)
(resid 95 and name cb) (resid 95 and name cg1) 1.0 -60.0 30.0 2
!! N97
assign (resid 97 and name n) (resid 97 and name ca)
(resid 97 and name cb) (resid 97 and name cg) 1.0 -60.0 30.0 2
!! C98
assign (resid 98 and name n) (resid 98 and name ca)
(resid 98 and name cb) (resid 98 and name sg) 1.0 -60.0 30.0 2
!! D99
assign (resid 99 and name n) (resid 99 and name ca)
(resid 99 and name cb) (resid 99 and name cg) 1.0 -60.0 30.0 2
!! R100
assign (resid 100 and name n) (resid 100 and name ca)
(resid 100 and name cb) (resid 100 and name cg) 1.0 180.0 20.0 2
!! N101
assign (resid 101 and name n) (resid 101 and name ca)
(resid 101 and name cb) (resid 101 and name cg) 1.0 -60.0 30.0 2
!! I104
assign (resid 104 and name n) (resid 104 and name ca)
(resid 104 and name cb) (resid 104 and name cg1) 1.0 -60.0 30.0 2
!! C105
assign (resid 105 and name n) (resid 105 and name ca)
(resid 105 and name cb) (resid 105 and name sg) 1.0 180.0 20.0 2
!! F106
assign (resid 106 and name n) (resid 106 and name ca)
(resid 106 and name cb) (resid 106 and name cg) 1.0 -60.0 30.0 2
!! K108
assign (resid 108 and name n) (resid 108 and name ca)
(resid 108 and name cb) (resid 108 and name cg) 1.0 -60.0 30.0 2
!! V109
assign (resid 109 and name n) (resid 109 and name ca)
(resid 109 and name cb) (resid 109 and name cg1) 1.0 -60.0 30.0 2
!! Y111
assign (resid 111 and name n) (resid 111 and name ca)
(resid 111 and name cb) (resid 111 and name cg) 1.0 180.0 20.0 2
!! N112
assign (resid 112 and name n) (resid 112 and name ca)
(resid 112 and name cb) (resid 112 and name cg) 1.0 -60.0 30.0 2
!! H115
assign (resid 115 and name n) (resid 115 and name ca)
(resid 115 and name cb) (resid 115 and name cg) 1.0 -60.0 30.0 2
!! N117
assign (resid 117 and name n) (resid 117 and name ca)
(resid 117 and name cb) (resid 117 and name cg) 1.0 -60.0 30.0 2
!! D119
assign (resid 119 and name n) (resid 119 and name ca)
(resid 119 and name cb) (resid 119 and name cg) 1.0 180.0 20.0 2
!! K120
assign (resid 120 and name n) (resid 120 and name ca)
(resid 120 and name cb) (resid 120 and name cg) 1.0 -60.0 30.0 2
!! N122
assign (resid 122 and name n) (resid 122 and name ca)
(resid 122 and name cb) (resid 122 and name cg) 1.0 -60.0 30.0 2
!! C123
assign (resid 123 and name n) (resid 123 and name ca)
(resid 123 and name cb) (resid 123 and name sg) 1.0 -60.0 30.0 2
!---------------------------------------------------------------------------
!! N6
assign (resid 5 and name c ) (resid 6 and name n )
(resid 6 and name ca) (resid 6 and name c ) 1.0 -60.0 30.0 2
!! M8
assign (resid 7 and name c ) (resid 8 and name n )
(resid 8 and name ca) (resid 8 and name c ) 1.0 -60.0 30.0 2
!! I9
assign (resid 8 and name c ) (resid 9 and name n )
(resid 9 and name ca) (resid 9 and name c ) 1.0 -60.0 30.0 2
!! K10
assign (resid 9 and name c ) (resid 10 and name n )
(resid 10 and name ca) (resid 10 and name c ) 1.0 -60.0 30.0 2
!! C11
assign (resid 10 and name c ) (resid 11 and name n )
(resid 11 and name ca) (resid 11 and name c ) 1.0 -60.0 30.0 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 -135.0 40.0 2
!! D40
assign (resid 39 and name c ) (resid 40 and name n )
(resid 40 and name ca) (resid 40 and name c ) 1.0 -60.0 30.0 2
!! L41
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 30.0 2
!! D42
assign (resid 41 and name c ) (resid 42 and name n )
(resid 42 and name ca) (resid 42 and name c ) 1.0 -60.0 30.0 2
!! R43
assign (resid 42 and name c ) (resid 43 and name n )
(resid 43 and name ca) (resid 43 and name c ) 1.0 -60.0 30.0 2
!! C44
assign (resid 43 and name c ) (resid 44 and name n )
(resid 44 and name ca) (resid 44 and name c ) 1.0 -60.0 30.0 2
!! C45
assign (resid 44 and name c ) (resid 45 and name n )
(resid 45 and name ca) (resid 45 and name c ) 1.0 -65.0 30.0 2
!! Q46
assign (resid 45 and name c ) (resid 46 and name n )
(resid 46 and name ca) (resid 46 and name c ) 1.0 -60.0 30.0 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 -60.0 30.0 2
!! H48
assign (resid 47 and name c ) (resid 48 and name n )
(resid 48 and name ca) (resid 48 and name c ) 1.0 -60.0 30.0 2
!! D49
assign (resid 48 and name c ) (resid 49 and name n )
(resid 49 and name ca) (resid 49 and name c ) 1.0 -60.0 30.0 2
!! N50
assign (resid 49 and name c ) (resid 50 and name n )
(resid 50 and name ca) (resid 50 and name c ) 1.0 -65.0 30.0 2
!! C51
assign (resid 50 and name c ) (resid 51 and name n )
(resid 51 and name ca) (resid 51 and name c ) 1.0 -65.0 30.0 2
!! Y52
assign (resid 51 and name c ) (resid 52 and name n )
(resid 52 and name ca) (resid 52 and name c ) 1.0 -60.0 30.0 2
!! K53
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 30.0 2
!! Q54
assign (resid 53 and name c ) (resid 54 and name n )
(resid 54 and name ca) (resid 54 and name c ) 1.0 -65.0 30.0 2
!! A55
assign (resid 54 and name c ) (resid 55 and name n )
(resid 55 and name ca) (resid 55 and name c ) 1.0 -60.0 30.0 2
!! K57
assign (resid 56 and name c ) (resid 57 and name n )
(resid 57 and name ca) (resid 57 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 -70.0 30.0 2
!! C77
assign (resid 76 and name c ) (resid 77 and name n )
(resid 77 and name ca) (resid 77 and name c ) 1.0 -135.0 40.0 2
!! E81
assign (resid 80 and name c ) (resid 81 and name n )
(resid 81 and name ca) (resid 81 and name c ) 1.0 -135.0 40.0 2
!! T83
assign (resid 82 and name c ) (resid 83 and name n )
(resid 83 and name ca) (resid 83 and name c ) 1.0 -135.0 40.0 2
!! E87
assign (resid 86 and name c ) (resid 87 and name n )
(resid 87 and name ca) (resid 87 and name c ) 1.0 -70.0 30.0 2
!! N88
assign (resid 87 and name c ) (resid 88 and name n )
(resid 88 and name ca) (resid 88 and name c ) 1.0 -70.0 30.0 2
!! A93
assign (resid 92 and name c ) (resid 93 and name n )
(resid 93 and name ca) (resid 93 and name c ) 1.0 -60.0 30.0 2
!! F94
assign (resid 93 and name c ) (resid 94 and name n )
(resid 94 and name ca) (resid 94 and name c ) 1.0 -65.0 30.0 2
!! I95
assign (resid 94 and name c ) (resid 95 and name n )
(resid 95 and name ca) (resid 95 and name c ) 1.0 -65.0 30.0 2
!! C96
assign (resid 95 and name c ) (resid 96 and name n )
(resid 96 and name ca) (resid 96 and name c ) 1.0 -65.0 30.0 2
!! C98
assign (resid 97 and name c ) (resid 98 and name n )
(resid 98 and name ca) (resid 98 and name c ) 1.0 -60.0 30.0 2
!! D99
assign (resid 98 and name c ) (resid 99 and name n )
(resid 99 and name ca) (resid 99 and name c ) 1.0 -60.0 30.0 2
!! R100
assign (resid 99 and name c ) (resid 100 and name n )
(resid 100 and name ca) (resid 100 and name c ) 1.0 -60.0 30.0 2
!! N101
assign (resid 100 and name c ) (resid 101 and name n )
(resid 101 and name ca) (resid 101 and name c ) 1.0 -60.0 30.0 2
!! A102
assign (resid 101 and name c ) (resid 102 and name n )
(resid 102 and name ca) (resid 102 and name c ) 1.0 -70.0 30.0 2
!! A103
assign (resid 102 and name c ) (resid 103 and name n )
(resid 103 and name ca) (resid 103 and name c ) 1.0 -60.0 30.0 2
!! I104
assign (resid 103 and name c ) (resid 104 and name n )
(resid 104 and name ca) (resid 104 and name c ) 1.0 -60.0 30.0 2
!! C105
assign (resid 104 and name c ) (resid 105 and name n )
(resid 105 and name ca) (resid 105 and name c ) 1.0 -60.0 30.0 2
!! F106
assign (resid 105 and name c ) (resid 106 and name n )
(resid 106 and name ca) (resid 106 and name c ) 1.0 -60.0 30.0 2
!! S107
assign (resid 106 and name c ) (resid 107 and name n )
(resid 107 and name ca) (resid 107 and name c ) 1.0 -60.0 30.0 2
!! K108
assign (resid 107 and name c ) (resid 108 and name n )
(resid 108 and name ca) (resid 108 and name c ) 1.0 -135.0 40.0 2
!! V109
assign (resid 108 and name c ) (resid 109 and name n )
(resid 109 and name ca) (resid 109 and name c ) 1.0 -135.0 40.0 2
!! N113
assign (resid 112 and name c ) (resid 113 and name n )
(resid 113 and name ca) (resid 113 and name c ) 1.0 -60.0 30.0 2
!! E114
assign (resid 113 and name c ) (resid 114 and name n )
(resid 114 and name ca) (resid 114 and name c ) 1.0 -65.0 30.0 2
!! K116
assign (resid 115 and name c ) (resid 116 and name n )
(resid 116 and name ca) (resid 116 and name c ) 1.0 -70.0 30.0 2
!! D119
assign (resid 118 and name c ) (resid 119 and name n )
(resid 119 and name ca) (resid 119 and name c ) 1.0 -65.0 30.0 2
!! K120
assign (resid 119 and name c ) (resid 120 and name n )
(resid 120 and name ca) (resid 120 and name c ) 1.0 -65.0 30.0 2
!! K121
assign (resid 120 and name c ) (resid 121 and name n )
(resid 121 and name ca) (resid 121 and name c ) 1.0 -65.0 30.0 2
!! N122
assign (resid 121 and name c ) (resid 122 and name n )
(resid 122 and name ca) (resid 122 and name c ) 1.0 -135.0 40.0 2
!! C123
assign (resid 122 and name c ) (resid 123 and name n )
(resid 123 and name ca) (resid 123 and name c ) 1.0 -135.0 40.0 2
!------------------
!Intraresidue
!--------------------
!! I9
assign (resid 9 and name ca) (resid 9 and name cb)
(resid 9 and name cg1) (resid 9 and name cd1) 1.0 180.0 20.0 2
!! F94
assign (resid 94 and name ca) (resid 94 and name cb)
(resid 94 and name cg) (resid 94 and name cd1) 1.0 -90.0 35.0 2
!! Y111
assign (resid 111 and name ca) (resid 111 and name cb)
(resid 111 and name cg) (resid 111 and name cd1) 1.0 -90.0 35.0 2
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