NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
16749 |
2apn   |
5963 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
!TALOS restraints
!ASP13
assign (resid 12 and name C) (resid 13 and name N) !PHI restraint
(resid 13 and name CA) (resid 13 and name C) 1.0 -60.0 30.0 2
assign (resid 13 and name N) (resid 13 and name CA) !PSI restraint
(resid 13 and name C) (resid 14 and name N) 1.0 -50.0 30.0 2
!ALA14
assign (resid 13 and name C) (resid 14 and name N) !PHI restraint
(resid 14 and name CA) (resid 14 and name C) 1.0 -60.0 30.0 2
assign (resid 14 and name N) (resid 14 and name CA) !PSI restraint
(resid 14 and name C) (resid 15 and name N) 1.0 -50.0 30.0 2
!ALA15
assign (resid 14 and name C) (resid 15 and name N) !PHI restraint
(resid 15 and name CA) (resid 15 and name C) 1.0 -60.0 30.0 2
assign (resid 15 and name N) (resid 15 and name CA) !PSI restraint
(resid 15 and name C) (resid 16 and name N) 1.0 -50.0 30.0 2
!ALA16
assign (resid 15 and name C) (resid 16 and name N) !PHI restraint
(resid 16 and name CA) (resid 16 and name C) 1.0 -60.0 30.0 2
assign (resid 16 and name N) (resid 16 and name CA) !PSI restraint
(resid 16 and name C) (resid 17 and name N) 1.0 -50.0 30.0 2
!ASN17
assign (resid 16 and name C) (resid 17 and name N) !PHI restraint
(resid 17 and name CA) (resid 17 and name C) 1.0 -60.0 30.0 2
assign (resid 17 and name N) (resid 17 and name CA) !PSI restraint
(resid 17 and name C) (resid 18 and name N) 1.0 -50.0 30.0 2
!LYS18
assign (resid 17 and name C) (resid 18 and name N) !PHI restraint
(resid 18 and name CA) (resid 18 and name C) 1.0 -60.0 30.0 2
assign (resid 18 and name N) (resid 18 and name CA) !PSI restraint
(resid 18 and name C) (resid 19 and name N) 1.0 -50.0 30.0 2
!VAL19
assign (resid 18 and name C) (resid 19 and name N) !PHI restraint
(resid 19 and name CA) (resid 19 and name C) 1.0 -60.0 30.0 2
assign (resid 19 and name N) (resid 19 and name CA) !PSI restraint
(resid 19 and name C) (resid 20 and name N) 1.0 -50.0 30.0 2
!LYS20
assign (resid 19 and name C) (resid 20 and name N) !PHI restraint
(resid 20 and name CA) (resid 20 and name C) 1.0 -60.0 30.0 2
assign (resid 20 and name N) (resid 20 and name CA) !PSI restraint
(resid 20 and name C) (resid 21 and name N) 1.0 -50.0 30.0 2
!SER21
assign (resid 20 and name C) (resid 21 and name N) !PHI restraint
(resid 21 and name CA) (resid 21 and name C) 1.0 -60.0 30.0 2
assign (resid 21 and name N) (resid 21 and name CA) !PSI restraint
(resid 21 and name C) (resid 22 and name N) 1.0 -50.0 30.0 2
!LEU22
assign (resid 21 and name C) (resid 22 and name N) !PHI restraint
(resid 22 and name CA) (resid 22 and name C) 1.0 -60.0 30.0 2
assign (resid 22 and name N) (resid 22 and name CA) !PSI restraint
(resid 22 and name C) (resid 23 and name N) 1.0 -50.0 30.0 2
!ILE23
assign (resid 22 and name C) (resid 23 and name N) !PHI restraint
(resid 23 and name CA) (resid 23 and name C) 1.0 -60.0 30.0 2
assign (resid 23 and name N) (resid 23 and name CA) !PSI restraint
(resid 23 and name C) (resid 24 and name N) 1.0 -50.0 30.0 2
!SER24
assign (resid 23 and name C) (resid 24 and name N) !PHI restraint
(resid 24 and name CA) (resid 24 and name C) 1.0 -60.0 30.0 2
assign (resid 24 and name N) (resid 24 and name CA) !PSI restraint
(resid 24 and name C) (resid 25 and name N) 1.0 -50.0 30.0 2
!GLU25
assign (resid 24 and name C) (resid 25 and name N) !PHI restraint
(resid 25 and name CA) (resid 25 and name C) 1.0 -60.0 30.0 2
assign (resid 25 and name N) (resid 25 and name CA) !PSI restraint
(resid 25 and name C) (resid 26 and name N) 1.0 -50.0 30.0 2
!GLU26
assign (resid 25 and name C) (resid 26 and name N) !PHI restraint
(resid 26 and name CA) (resid 26 and name C) 1.0 -60.0 30.0 2
assign (resid 26 and name N) (resid 26 and name CA) !PSI restraint
(resid 26 and name C) (resid 27 and name N) 1.0 -50.0 30.0 2
!MET74
assign (resid 73 and name C) (resid 74 and name N) !PHI restraint
(resid 74 and name CA) (resid 74 and name C) 1.0 -60.0 30.0 2
assign (resid 74 and name N) (resid 74 and name CA) !PSI restraint
(resid 74 and name C) (resid 75 and name N) 1.0 -50.0 30.0 2
!SER75
assign (resid 74 and name C) (resid 75 and name N) !PHI restraint
(resid 75 and name CA) (resid 75 and name C) 1.0 -60.0 30.0 2
assign (resid 75 and name N) (resid 75 and name CA) !PSI restraint
(resid 75 and name C) (resid 76 and name N) 1.0 -50.0 30.0 2
!LEU76
assign (resid 75 and name C) (resid 76 and name N) !PHI restraint
(resid 76 and name CA) (resid 76 and name C) 1.0 -60.0 30.0 2
assign (resid 76 and name N) (resid 76 and name CA) !PSI restraint
(resid 76 and name C) (resid 77 and name N) 1.0 -50.0 30.0 2
!GLN77
assign (resid 76 and name C) (resid 77 and name N) !PHI restraint
(resid 77 and name CA) (resid 77 and name C) 1.0 -60.0 30.0 2
assign (resid 77 and name N) (resid 77 and name CA) !PSI restraint
(resid 77 and name C) (resid 78 and name N) 1.0 -50.0 30.0 2
!TYR78
assign (resid 77 and name C) (resid 78 and name N) !PHI restraint
(resid 78 and name CA) (resid 78 and name C) 1.0 -60.0 30.0 2
assign (resid 78 and name N) (resid 78 and name CA) !PSI restraint
(resid 78 and name C) (resid 79 and name N) 1.0 -50.0 30.0 2
!LEU79
assign (resid 78 and name C) (resid 79 and name N) !PHI restraint
(resid 79 and name CA) (resid 79 and name C) 1.0 -60.0 30.0 2
assign (resid 79 and name N) (resid 79 and name CA) !PSI restraint
(resid 79 and name C) (resid 80 and name N) 1.0 -50.0 30.0 2
!LEU60
assign (resid 59 and name C) (resid 60 and name N) !PHI restraint
(resid 60 and name CA) (resid 60 and name C) 1.0 -105.0 45.0 2
assign (resid 60 and name N) (resid 60 and name CA) !PSI restraint
(resid 60 and name C) (resid 61 and name N) 1.0 135.0 45.0 2
!THR61
assign (resid 60 and name C) (resid 61 and name N) !PHI restraint
(resid 61 and name CA) (resid 61 and name C) 1.0 -105.0 45.0 2
assign (resid 61 and name N) (resid 61 and name CA) !PSI restraint
(resid 61 and name C) (resid 62 and name N) 1.0 135.0 45.0 2
!ILE62
assign (resid 61 and name C) (resid 62 and name N) !PHI restraint
(resid 62 and name CA) (resid 62 and name C) 1.0 -105.0 45.0 2
assign (resid 62 and name N) (resid 62 and name CA) !PSI restraint
(resid 62 and name C) (resid 63 and name N) 1.0 135.0 45.0 2
!GLU63
assign (resid 62 and name C) (resid 63 and name N) !PHI restraint
(resid 63 and name CA) (resid 63 and name C) 1.0 -105.0 45.0 2
assign (resid 63 and name N) (resid 63 and name CA) !PSI restraint
(resid 63 and name C) (resid 64 and name N) 1.0 135.0 45.0 2
!GLN68
assign (resid 67 and name C) (resid 68 and name N) !PHI restraint
(resid 68 and name CA) (resid 68 and name C) 1.0 -105.0 45.0 2
assign (resid 68 and name N) (resid 68 and name CA) !PSI restraint
(resid 68 and name C) (resid 69 and name N) 1.0 135.0 45.0 2
!LEU69
assign (resid 68 and name C) (resid 69 and name N) !PHI restraint
(resid 69 and name CA) (resid 69 and name C) 1.0 -105.0 45.0 2
assign (resid 69 and name N) (resid 69 and name CA) !PSI restraint
(resid 69 and name C) (resid 70 and name N) 1.0 135.0 45.0 2
!VAL70
assign (resid 69 and name C) (resid 70 and name N) !PHI restraint
(resid 70 and name CA) (resid 70 and name C) 1.0 -105.0 45.0 2
assign (resid 70 and name N) (resid 70 and name CA) !PSI restraint
(resid 70 and name C) (resid 71 and name N) 1.0 135.0 45.0 2
!ILE71
assign (resid 70 and name C) (resid 71 and name N) !PHI restraint
(resid 71 and name CA) (resid 71 and name C) 1.0 -105.0 45.0 2
assign (resid 71 and name N) (resid 71 and name CA) !PSI restraint
(resid 71 and name C) (resid 72 and name N) 1.0 135.0 45.0 2
!LEU33
assign (resid 32 and name C) (resid 33 and name N) !PHI restraint
(resid 33 and name CA) (resid 33 and name C) 1.0 -105.0 45.0 2
assign (resid 33 and name N) (resid 33 and name CA) !PSI restraint
(resid 33 and name C) (resid 34 and name N) 1.0 135.0 45.0 2
!ARG34
assign (resid 33 and name C) (resid 34 and name N) !PHI restraint
(resid 34 and name CA) (resid 34 and name C) 1.0 -105.0 45.0 2
assign (resid 34 and name N) (resid 34 and name CA) !PSI restraint
(resid 34 and name C) (resid 35 and name N) 1.0 135.0 45.0 2
!VAL35
assign (resid 34 and name C) (resid 35 and name N) !PHI restraint
(resid 35 and name CA) (resid 35 and name C) 1.0 -105.0 45.0 2
assign (resid 35 and name N) (resid 35 and name CA) !PSI restraint
(resid 35 and name C) (resid 36 and name N) 1.0 135.0 45.0 2
!TYR36
assign (resid 35 and name C) (resid 36 and name N) !PHI restraint
(resid 36 and name CA) (resid 36 and name C) 1.0 -105.0 45.0 2
assign (resid 36 and name N) (resid 36 and name CA) !PSI restraint
(resid 36 and name C) (resid 37 and name N) 1.0 135.0 45.0 2
!ILE37
assign (resid 36 and name C) (resid 37 and name N) !PHI restraint
(resid 37 and name CA) (resid 37 and name C) 1.0 -105.0 45.0 2
assign (resid 37 and name N) (resid 37 and name CA) !PSI restraint
(resid 37 and name C) (resid 38 and name N) 1.0 135.0 45.0 2
!GLY48
assign (resid 47 and name C) (resid 48 and name N) !PHI restraint
(resid 48 and name CA) (resid 48 and name C) 1.0 -105.0 45.0 2
assign (resid 48 and name N) (resid 48 and name CA) !PSI restraint
(resid 48 and name C) (resid 49 and name N) 1.0 135.0 45.0 2
!PHE49
assign (resid 48 and name C) (resid 49 and name N) !PHI restraint
(resid 49 and name CA) (resid 49 and name C) 1.0 -105.0 45.0 2
assign (resid 49 and name N) (resid 49 and name CA) !PSI restraint
(resid 49 and name C) (resid 50 and name N) 1.0 135.0 45.0 2
!THR50
assign (resid 49 and name C) (resid 50 and name N) !PHI restraint
(resid 50 and name CA) (resid 50 and name C) 1.0 -105.0 45.0 2
assign (resid 50 and name N) (resid 50 and name CA) !PSI restraint
(resid 50 and name C) (resid 51 and name N) 1.0 135.0 45.0 2
!PHE51
assign (resid 50 and name C) (resid 51 and name N) !PHI restraint
(resid 51 and name CA) (resid 51 and name C) 1.0 -105.0 45.0 2
assign (resid 51 and name N) (resid 51 and name CA) !PSI restraint
(resid 51 and name C) (resid 52 and name N) 1.0 135.0 45.0 2
!LEU9
assign (resid 8 and name C) (resid 9 and name N) !PHI restraint
(resid 9 and name CA) (resid 9 and name C) 1.0 -105.0 45.0 2
assign (resid 9 and name N) (resid 9 and name CA) !PSI restraint
(resid 9 and name C) (resid 10 and name N) 1.0 135.0 45.0 2
!THR10
assign (resid 9 and name C) (resid 10 and name N) !PHI restraint
(resid 10 and name CA) (resid 10 and name C) 1.0 -105.0 45.0 2
assign (resid 10 and name N) (resid 10 and name CA) !PSI restraint
(resid 10 and name C) (resid 11 and name N) 1.0 135.0 45.0 2
!PHE11
assign (resid 10 and name C) (resid 11 and name N) !PHI restraint
(resid 11 and name CA) (resid 11 and name C) 1.0 -105.0 45.0 2
assign (resid 11 and name N) (resid 11 and name CA) !PSI restraint
(resid 11 and name C) (resid 12 and name N) 1.0 135.0 45.0 2
!THR83
assign (resid 82 and name C) (resid 83 and name N) !PHI restraint
(resid 83 and name CA) (resid 83 and name C) 1.0 -105.0 45.0 2
assign (resid 83 and name N) (resid 83 and name CA) !PSI restraint
(resid 83 and name C) (resid 84 and name N) 1.0 135.0 45.0 2
!VAL84
assign (resid 83 and name C) (resid 84 and name N) !PHI restraint
(resid 84 and name CA) (resid 84 and name C) 1.0 -105.0 45.0 2
assign (resid 84 and name N) (resid 84 and name CA) !PSI restraint
(resid 84 and name C) (resid 85 and name N) 1.0 135.0 45.0 2
!ASP85
assign (resid 84 and name C) (resid 85 and name N) !PHI restraint
(resid 85 and name CA) (resid 85 and name C) 1.0 -105.0 45.0 2
assign (resid 85 and name N) (resid 85 and name CA) !PSI restraint
(resid 85 and name C) (resid 86 and name N) 1.0 135.0 45.0 2
!TYR86
assign (resid 85 and name C) (resid 86 and name N) !PHI restraint
(resid 86 and name CA) (resid 86 and name C) 1.0 -105.0 45.0 2
assign (resid 86 and name N) (resid 86 and name CA) !PSI restraint
(resid 86 and name C) (resid 87 and name N) 1.0 135.0 45.0 2
!THR87
assign (resid 86 and name C) (resid 87 and name N) !PHI restraint
(resid 87 and name CA) (resid 87 and name C) 1.0 -105.0 45.0 2
assign (resid 87 and name N) (resid 87 and name CA) !PSI restraint
(resid 87 and name C) (resid 88 and name N) 1.0 135.0 45.0 2
!SER93
assign (resid 92 and name C) (resid 93 and name N) !PHI restraint
(resid 93 and name CA) (resid 93 and name C) 1.0 -105.0 45.0 2
assign (resid 93 and name N) (resid 93 and name CA) !PSI restraint
(resid 93 and name C) (resid 94 and name N) 1.0 135.0 45.0 2
!ARG94
assign (resid 93 and name C) (resid 94 and name N) !PHI restraint
(resid 94 and name CA) (resid 94 and name C) 1.0 -105.0 45.0 2
assign (resid 94 and name N) (resid 94 and name CA) !PSI restraint
(resid 94 and name C) (resid 95 and name N) 1.0 135.0 45.0 2
!PHE95
assign (resid 94 and name C) (resid 95 and name N) !PHI restraint
(resid 95 and name CA) (resid 95 and name C) 1.0 -105.0 45.0 2
assign (resid 95 and name N) (resid 95 and name CA) !PSI restraint
(resid 95 and name C) (resid 96 and name N) 1.0 135.0 45.0 2
!THR96
assign (resid 95 and name C) (resid 96 and name N) !PHI restraint
(resid 96 and name CA) (resid 96 and name C) 1.0 -105.0 45.0 2
assign (resid 96 and name N) (resid 96 and name CA) !PSI restraint
(resid 96 and name C) (resid 97 and name N) 1.0 135.0 45.0 2
!VAL97
assign (resid 96 and name C) (resid 97 and name N) !PHI restraint
(resid 97 and name CA) (resid 97 and name C) 1.0 -105.0 45.0 2
assign (resid 97 and name N) (resid 97 and name CA) !PSI restraint
(resid 97 and name C) (resid 98 and name N) 1.0 135.0 45.0 2
!added061505
!assign ( resid 29 and name n ) ( resid 29 and name ca )
!( resid 29 and name c ) ( resid 30 and name n ) 1.0 -12 78 2
!assign ( resid 31 and name c ) ( resid 32 and name n )
!( resid 32 and name ca ) ( resid 32 and name c ) 1.0 -116 45 2
assign ( resid 47 and name c ) ( resid 48 and name n )
( resid 48 and name ca ) ( resid 48 and name c ) 1.0 -127 96 2
!assign ( resid 55 and name c ) ( resid 56 and name n )
!( resid 56 and name ca ) ( resid 56 and name c ) 1.0 -118 63 2
assign ( resid 56 and name n ) ( resid 56 and name ca )
( resid 56 and name c ) ( resid 57 and name n ) 1.0 127 57 2
assign ( resid 56 and name c ) ( resid 57 and name n )
( resid 57 and name ca ) ( resid 57 and name c ) 1.0 -125 75 2
!assign ( resid 80 and name c ) ( resid 81 and name n )
!( resid 81 and name ca ) ( resid 81 and name c ) 1.0 -130 54 2
!change 80 as turn 2
assign (resid 79 and name C) (resid 80 and name N) !PHI restraint
(resid 80 and name CA) (resid 80 and name C) 1.0 -60.0 40.0 2
assign (resid 80 and name N) (resid 80 and name CA) !PSI restraint
(resid 80 and name C) (resid 81 and name N) 1.0 120.0 40.0 2
!add 31 as turn
!assign (resid 30 and name C) (resid 31 and name N) !PHI restraint
!(resid 31 and name CA) (resid 31 and name C) 1.0 -65.0 55.0 2
!assign (resid 31 and name N) (resid 31 and name CA) !PSI restraint
!(resid 31 and name C) (resid 32 and name N) 1.0 0.0 30.0 2
!add 31 as beta
assign (resid 30 and name C) (resid 31 and name N) !PHI restraint
(resid 31 and name CA) (resid 31 and name C) 1.0 -105.0 45.0 2
assign (resid 31 and name N) (resid 31 and name CA) !PSI restraint
(resid 31 and name C) (resid 32 and name N) 1.0 135.0 45.0 2
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