NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
2034 |
1bbo   |
cing | 1-original | 6 | XPLOR/CNS | dihedral angle |
!!Phi restraints minimum deviation = 30 degrees
!!2 tyr
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 60.0 2
!!3 ile
assign (resid 2 and name c ) (resid 3 and name n)
(resid 3 and name ca) (resid 3 and name c) 1.0 -120.0 55.0 2
!!4 cys
assign (resid 3 and name c ) (resid 4 and name n)
(resid 4 and name ca) (resid 4 and name c) 1.0 -105.0 70.0 2
!!5 glu
assign (resid 4 and name c ) (resid 5 and name n)
(resid 5 and name ca) (resid 5 and name c) 1.0 -105.0 60.0 2
!!6 glu
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 40.0 2
!!7 cys
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 60.0 2
!!9 ile
assign (resid 8 and name c ) (resid 9 and name n)
(resid 9 and name ca) (resid 9 and name c) 1.0 -60.0 135.0 2
!!10 arg
assign (resid 9 and name c ) (resid 10 and name n)
(resid 10 and name ca) (resid 10 and name c) 1.0 -110.0 55.0 2
!!11 abu
assign (resid 10 and name c ) (resid 11 and name n)
(resid 11 and name ca) (resid 11 and name c) 1.0 -95.0 70.0 2
!!12 lys
assign (resid 11 and name c ) (resid 12 and name n)
(resid 12 and name ca) (resid 12 and name c) 1.0 -105.0 70.0 2
!!13 lys
assign (resid 12 and name c ) (resid 13 and name n)
(resid 13 and name ca) (resid 13 and name c) 1.0 -95.0 50.0 2
!!14 pro
assign (resid 13 and name c ) (resid 14 and name n)
(resid 14 and name ca) (resid 14 and name c) 1.0 -85.0 40.0 2
!!15 ser
assign (resid 14 and name c ) (resid 15 and name n)
(resid 15 and name ca) (resid 15 and name c) 1.0 -100.0 75.0 2
!!16 met
assign (resid 15 and name c ) (resid 16 and name n)
(resid 16 and name ca) (resid 16 and name c) 1.0 -100.0 55.0 2
!!17 leu
assign (resid 16 and name c ) (resid 17 and name n)
(resid 17 and name ca) (resid 17 and name c) 1.0 -70.0 45.0 2
!!18 lys
assign (resid 17 and name c ) (resid 18 and name n)
(resid 18 and name ca) (resid 18 and name c) 1.0 -50.0 30.0 2
!!19 lys
assign (resid 18 and name c ) (resid 19 and name n)
(resid 19 and name ca) (resid 19 and name c) 1.0 -55.0 30.0 2
!!20 his
assign (resid 19 and name c ) (resid 20 and name n)
(resid 20 and name ca) (resid 20 and name c) 1.0 -60.0 30.0 2
!!21 ile
assign (resid 20 and name c ) (resid 21 and name n)
(resid 21 and name ca) (resid 21 and name c) 1.0 -60.0 30.0 2
!!22 arg
assign (resid 21 and name c ) (resid 22 and name n)
(resid 22 and name ca) (resid 22 and name c) 1.0 -60.0 30.0 2
!!23 thr
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 his
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 40.0 2
!!25 thr
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 50.0 2
!!26 asp
assign (resid 25 and name c ) (resid 26 and name n)
(resid 26 and name ca) (resid 26 and name c) 1.0 -115.0 60.0 2
!!27 val
assign (resid 26 and name c ) (resid 27 and name n)
(resid 27 and name ca) (resid 27 and name c) 1.0 -90.0 70.0 2
!!28 arg
assign (resid 27 and name c ) (resid 28 and name n)
(resid 28 and name ca) (resid 28 and name c) 1.0 -110.0 50.0 2
!!29 pro
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 tyr
assign (resid 29 and name c ) (resid 30 and name n)
(resid 30 and name ca) (resid 30 and name c) 1.0 -100.0 50.0 2
!!31 his
assign (resid 30 and name c ) (resid 31 and name n)
(resid 31 and name ca) (resid 31 and name c) 1.0 -115.0 30.0 2
!!32 cys
assign (resid 31 and name c ) (resid 32 and name n)
(resid 32 and name ca) (resid 32 and name c) 1.0 -60.0 30.0 2
!!33 thr
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 40.0 2
!!34 tyr
assign (resid 33 and name c ) (resid 34 and name n)
(resid 34 and name ca) (resid 34 and name c) 1.0 -110.0 60.0 2
!!35 cys
assign (resid 34 and name c ) (resid 35 and name n)
(resid 35 and name ca) (resid 35 and name c) 1.0 -70.0 30.0 2
!!36 asn
assign (resid 35 and name c ) (resid 36 and name n)
(resid 36 and name ca) (resid 36 and name c) 1.0 -120.0 40.0 2
!!37 phe
assign (resid 36 and name c ) (resid 37 and name n)
(resid 37 and name ca) (resid 37 and name c) 1.0 -75.0 30.0 2
!!38 ser
assign (resid 37 and name c ) (resid 38 and name n)
(resid 38 and name ca) (resid 38 and name c) 1.0 -115.0 50.0 2
!!39 phe
assign (resid 38 and name c ) (resid 39 and name n)
(resid 39 and name ca) (resid 39 and name c) 1.0 -100.0 35.0 2
!!40 lys
assign (resid 39 and name c ) (resid 40 and name n)
(resid 40 and name ca) (resid 40 and name c) 1.0 -90.0 65.0 2
!!41 thr
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 45.0 2
!!42 lys
assign (resid 41 and name c ) (resid 42 and name n)
(resid 42 and name ca) (resid 42 and name c) 1.0 -50.0 45.0 2
!!43 gly
assign (resid 42 and name c ) (resid 43 and name n)
(resid 43 and name ca) (resid 43 and name c) 1.0 -50.0 30.0 2
!!44 asn
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
!!45 leu
assign (resid 44 and name c ) (resid 45 and name n)
(resid 45 and name ca) (resid 45 and name c) 1.0 -60.0 30.0 2
!!46 thr
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
!!47 lys
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 35.0 2
!!48 his
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
!!49 met
assign (resid 48 and name c ) (resid 49 and name n)
(resid 49 and name ca) (resid 49 and name c) 1.0 -65.0 40.0 2
!!50 lys
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
!!51 ser
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
!!52 lys
assign (resid 51 and name c ) (resid 52 and name n)
(resid 52 and name ca) (resid 52 and name c) 1.0 -80.0 30.0 2
!!53 ala
assign (resid 52 and name c ) (resid 53 and name n)
(resid 53 and name ca) (resid 53 and name c) 1.0 -50.0 30.0 2
!!54 his
assign (resid 53 and name c ) (resid 54 and name n)
(resid 54 and name ca) (resid 54 and name c) 1.0 -110.0 75.0 2
!!55 ser
assign (resid 54 and name c ) (resid 55 and name n)
(resid 55 and name ca) (resid 55 and name c) 1.0 -125.0 50.0 2
!!56 lys
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 60.0 2
!!57 lys
assign (resid 56 and name c ) (resid 57 and name n)
(resid 57 and name ca) (resid 57 and name c) 1.0 -120.0 65.0 2
!!Psi restraints minimum deviation = 50 degrees
!!2 tyr
assign (resid 2 and name n) (resid 2 and name ca)
(resid 2 and name c) (resid 3 and name n ) 1.0 140.0 100.0 2
!!3 ile
assign (resid 3 and name n) (resid 3 and name ca)
(resid 3 and name c) (resid 4 and name n ) 1.0 135.0 50.0 2
!!4 cys
assign (resid 4 and name n) (resid 4 and name ca)
(resid 4 and name c) (resid 5 and name n) 1.0 110.0 85.0 2
!!6 glu
assign (resid 6 and name n) (resid 6 and name ca)
(resid 6 and name c) (resid 7 and name n) 1.0 25.0 130.0 2
!!10 arg
assign (resid 10 and name n) (resid 10 and name ca)
(resid 10 and name c) (resid 11 and name n) 1.0 135.0 80.0 2
!!11 abu
assign (resid 11 and name n) (resid 11 and name ca)
(resid 11 and name c) (resid 12 and name n) 1.0 155.0 90.0 2
!!12 lys
assign (resid 12 and name n) (resid 12 and name ca)
(resid 12 and name c) (resid 13 and name n) 1.0 -40.0 50.0 2
!!13 lys
assign (resid 13 and name n) (resid 13 and name ca)
(resid 13 and name c) (resid 14 and name n) 1.0 160.0 60.0 2
!!14 pro
assign (resid 14 and name n) (resid 14 and name ca)
(resid 14 and name c) (resid 15 and name n) 1.0 -30.0 50.0 2
!!15 ser
assign (resid 15 and name n) (resid 15 and name ca)
(resid 15 and name c) (resid 16 and name n) 1.0 -30.0 50.0 2
!!16 met
assign (resid 16 and name n) (resid 16 and name ca)
(resid 16 and name c) (resid 17 and name n) 1.0 -20.0 85.0 2
!!17 leu
assign (resid 17 and name n) (resid 17 and name ca)
(resid 17 and name c) (resid 18 and name n) 1.0 -65.0 50.0 2
!!18 lys
assign (resid 18 and name n) (resid 18 and name ca)
(resid 18 and name c) (resid 19 and name n) 1.0 -50.0 50.0 2
!!19 lys
assign (resid 19 and name n) (resid 19 and name ca)
(resid 19 and name c) (resid 20 and name n) 1.0 -50.0 50.0 2
!!20 his
assign (resid 20 and name n) (resid 20 and name ca)
(resid 20 and name c) (resid 21 and name n) 1.0 -40.0 50.0 2
!!21 ile
assign (resid 21 and name n) (resid 21 and name ca)
(resid 21 and name c) (resid 22 and name n) 1.0 -40.0 55.0 2
!!22 arg
assign (resid 22 and name n) (resid 22 and name ca)
(resid 22 and name c) (resid 23 and name n) 1.0 -40.0 50.0 2
!!23 thr
assign (resid 23 and name n) (resid 23 and name ca)
(resid 23 and name c) (resid 24 and name n) 1.0 -30.0 50.0 2
!!24 his
assign (resid 24 and name n) (resid 24 and name ca)
(resid 24 and name c) (resid 25 and name n) 1.0 -30.0 50.0 2
!!25 thr
assign (resid 25 and name n) (resid 25 and name ca)
(resid 25 and name c) (resid 26 and name n) 1.0 -30.0 90.0 2
!!26 asp
assign (resid 26 and name n) (resid 26 and name ca)
(resid 26 and name c) (resid 27 and name n) 1.0 -10.0 100.0 2
!!27 val
assign (resid 27 and name n) (resid 27 and name ca)
(resid 27 and name c) (resid 28 and name n) 1.0 80.0 90.0 2
!!28 arg
assign (resid 28 and name n) (resid 28 and name ca)
(resid 28 and name c) (resid 29 and name n) 1.0 80.0 50.0 2
!!29 pro
assign (resid 29 and name n) (resid 29 and name ca)
(resid 29 and name c) (resid 30 and name n) 1.0 -15.0 50.0 2
!!30 tyr
assign (resid 30 and name n) (resid 30 and name ca)
(resid 30 and name c) (resid 31 and name n) 1.0 110.0 50.0 2
!!31 his
assign (resid 31 and name n) (resid 31 and name ca)
(resid 31 and name c) (resid 32 and name n) 1.0 135.0 50.0 2
!!32 cys
assign (resid 32 and name n) (resid 32 and name ca)
(resid 32 and name c) (resid 33 and name n) 1.0 -155.0 130.0 2
!!33 thr
assign (resid 33 and name n) (resid 33 and name ca)
(resid 33 and name c) (resid 34 and name n) 1.0 20.0 85.0 2
!!34 tyr
assign (resid 34 and name n) (resid 34 and name ca)
(resid 34 and name c) (resid 35 and name n) 1.0 -90.0 90.0 2
!!35 cys
assign (resid 35 and name n) (resid 35 and name ca)
(resid 35 and name c) (resid 36 and name n) 1.0 -95.0 120.0 2
!!37 phe
assign (resid 37 and name n) (resid 37 and name ca)
(resid 37 and name c) (resid 38 and name n) 1.0 105.0 70.0 2
!!38 ser
assign (resid 38 and name n) (resid 38 and name ca)
(resid 38 and name c) (resid 39 and name n) 1.0 135.0 130.0 2
!!39 phe
assign (resid 39 and name n) (resid 39 and name ca)
(resid 39 and name c) (resid 40 and name n) 1.0 170.0 65.0 2
!!40 lys
assign (resid 40 and name n) (resid 40 and name ca)
(resid 40 and name c) (resid 41 and name n) 1.0 -40.0 85.0 2
!!41 thr
assign (resid 41 and name n) (resid 41 and name ca)
(resid 41 and name c) (resid 42 and name n) 1.0 170.0 50.0 2
!!42 lys
assign (resid 42 and name n) (resid 42 and name ca)
(resid 42 and name c) (resid 43 and name n) 1.0 -65.0 60.0 2
!!44 asn
assign (resid 44 and name n) (resid 44 and name ca)
(resid 44 and name c) (resid 45 and name n) 1.0 -65.0 60.0 2
!!45 leu
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
!!46 thr
assign (resid 46 and name n) (resid 46 and name ca)
(resid 46 and name c) (resid 47 and name n) 1.0 -50.0 50.0 2
!!48 his
assign (resid 48 and name n) (resid 48 and name ca)
(resid 48 and name c) (resid 49 and name n) 1.0 -55.0 60.0 2
!!49 met
assign (resid 49 and name n) (resid 49 and name ca)
(resid 49 and name c) (resid 50 and name n) 1.0 -10.0 50.0 2
!!50 lys
assign (resid 50 and name n) (resid 50 and name ca)
(resid 50 and name c) (resid 51 and name n) 1.0 -60.0 70.0 2
!!53 his
assign (resid 53 and name n) (resid 53 and name ca)
(resid 53 and name c) (resid 54 and name n) 1.0 -90.0 50.0 2
!!54 his
assign (resid 54 and name n) (resid 54 and name ca)
(resid 54 and name c) (resid 55 and name n) 1.0 60.0 50.0 2
!!56 lys
!!chi restraints minimum deviation = 20 degrees
!5, 12, 16, 22 need checking
!!2 tyr
assign (resid 2 and name n ) (resid 2 and name ca)
(resid 2 and name cb) (resid 2 and name cg) 1.0 -55.0 25.0 2
!!3 ile
assign (resid 3 and name n ) (resid 3 and name ca)
(resid 3 and name cb) (resid 3 and name cg1) 1.0 -60.0 20.0 2
!!4 cys
assign (resid 4 and name n ) (resid 4 and name ca)
(resid 4 and name cb) (resid 4 and name sg) 1.0 175.0 25.0 2
!!5 glu
assign (resid 5 and name n ) (resid 5 and name ca)
(resid 5 and name cb) (resid 5 and name cg) 1.0 -55.0 25.0 2
!!6 glu
assign (resid 6 and name n ) (resid 6 and name ca)
(resid 6 and name cb) (resid 6 and name cg) 1.0 -175.0 25.0 2
!!7 cys
assign (resid 7 and name n ) (resid 7 and name ca)
(resid 7 and name cb) (resid 7 and name sg) 1.0 -55.0 30.0 2
!!9 ile
assign (resid 9 and name n ) (resid 9 and name ca)
(resid 9 and name cb) (resid 9 and name cg1) 1.0 -175.0 30.0 2
!!10 arg
assign (resid 10 and name n ) (resid 10 and name ca)
(resid 10 and name cb) (resid 10 and name cg) 1.0 180.0 20.0 2
!!11 abu
assign (resid 11 and name n ) (resid 11 and name ca)
(resid 11 and name cb) (resid 11 and name cg) 1.0 -60.0 25.0 2
!!12 lys
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
!!13 lys
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
!!14 pro
assign (resid 14 and name n ) (resid 14 and name ca)
(resid 14 and name cb) (resid 14 and name cg) 1.0 0.0 30.0 2
!!15 ser
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 25.0 2
!!16 met
assign (resid 16 and name n ) (resid 16 and name ca)
(resid 16 and name cb) (resid 16 and name cg) 1.0 -60.0 20.0 2
!!17 leu
assign (resid 17 and name n ) (resid 17 and name ca)
(resid 17 and name cb) (resid 17 and name cg) 1.0 180.0 20.0 2
!!20 his
assign (resid 20 and name n ) (resid 20 and name ca)
(resid 20 and name cb) (resid 20 and name cg) 1.0 175.0 30.0 2
!!21 ile
assign (resid 21 and name n ) (resid 21 and name ca)
(resid 21 and name cb) (resid 21 and name cg1) 1.0 180.0 30.0 2
!!22 arg
assign (resid 22 and name n ) (resid 22 and name ca)
(resid 22 and name cb) (resid 22 and name cg) 1.0 -55.0 25.0 2
!!23 thr
assign (resid 23 and name n ) (resid 23 and name ca)
(resid 23 and name cb) (resid 23 and name og1) 1.0 -60.0 20.0 2
!!24 his
assign (resid 24 and name n ) (resid 24 and name ca)
(resid 24 and name cb) (resid 24 and name cg) 1.0 -60.0 30.0 2
!!25 thr
assign (resid 25 and name n ) (resid 25 and name ca)
(resid 25 and name cb) (resid 25 and name og1) 1.0 60.0 30.0 2
!!26 asp
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
!!27 val
assign (resid 27 and name n ) (resid 27 and name ca)
(resid 27 and name cb) (resid 27 and name cg1) 1.0 60.0 30.0 2
!!28 arg
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 20.0 2
!!29 pro
assign (resid 29 and name n ) (resid 29 and name ca)
(resid 29 and name cb) (resid 29 and name cg) 1.0 0.0 30.0 2
!!30 tyr
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
!!31 his
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 30.0 2
!!32 cys
assign (resid 32 and name n ) (resid 32 and name ca)
(resid 32 and name cb) (resid 32 and name sg) 1.0 175.0 25.0 2
!!33 thr
assign (resid 33 and name n ) (resid 33 and name ca)
(resid 33 and name cb) (resid 33 and name og1) 1.0 -60.0 25.0 2
!!34 tyr
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
!!35 cys
assign (resid 35 and name n ) (resid 35 and name ca)
(resid 35 and name cb) (resid 35 and name sg) 1.0 -60.0 25.0 2
!!36 asn
assign (resid 36 and name n ) (resid 36 and name ca)
(resid 36 and name cb) (resid 36 and name cg) 1.0 180.0 25.0 2
!!37 phe
assign (resid 37 and name n ) (resid 37 and name ca)
(resid 37 and name cb) (resid 37 and name cg) 1.0 180.0 35.0 2
!!38 ser
assign (resid 38 and name n ) (resid 38 and name ca)
(resid 38 and name cb) (resid 38 and name og) 1.0 180.0 25.0 2
!!39 phe
assign (resid 39 and name n ) (resid 39 and name ca)
(resid 39 and name cb) (resid 39 and name cg) 1.0 -55.0 25.0 2
!!40 lys
assign (resid 40 and name n ) (resid 40 and name ca)
(resid 40 and name cb) (resid 40 and name cg) 1.0 180.0 25.0 2
!!41 thr
assign (resid 41 and name n ) (resid 41 and name ca)
(resid 41 and name cb) (resid 41 and name og1) 1.0 55.0 25.0 2
!!42 lys
assign (resid 42 and name n ) (resid 42 and name ca)
(resid 42 and name cb) (resid 42 and name cg) 1.0 180.0 20.0 2
!!44 asn
assign (resid 44 and name n ) (resid 44 and name ca)
(resid 44 and name cb) (resid 44 and name cg) 1.0 -55.0 25.0 2
!!45 leu
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 thr
assign (resid 46 and name n ) (resid 46 and name ca)
(resid 46 and name cb) (resid 46 and name og1) 1.0 -65.0 25.0 2
!!48 his
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 25.0 2
!!49 met
assign (resid 49 and name n ) (resid 49 and name ca)
(resid 49 and name cb) (resid 49 and name cg) 1.0 -55.0 25.0 2
!!50 lys
assign (resid 50 and name n ) (resid 50 and name ca)
(resid 50 and name cb) (resid 50 and name cg) 1.0 180.0 30.0 2
!!54 his
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
!!56 lys
assign (resid 56 and name n ) (resid 56 and name ca)
(resid 56 and name cb) (resid 56 and name cg) 1.0 -55.0 25.0 2
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