Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
2569 | 1c3t RC | 4663 | cing | recoord | 1-original | 1 | XPLOR/CNS | dihedral angle |
!____________________________________________
!
! backbone (phi) angle restraints
!_____________________________________________
!restraints from alpha and beta carbon chemical shift data
{sheet I}
! {PHI}
!assign ( residue 1 and name C )
! ( residue 2 and name N )
! ( residue 2 and name CA)
! ( residue 2 and name C )
! 1.0 -120.0 30.0 2
! {PHI}
!assign ( residue 2 and name C )
! ( residue 3 and name N )
! ( residue 3 and name CA)
! ( residue 3 and name C )
! 1.0 -120.0 30.0 2
! {PHI}
!assign ( residue 3 and name C )
! ( residue 4 and name N )
! ( residue 4 and name CA)
! ( residue 4 and name C )
! 1.0 -120.0 30.0 2
! {PHI}
!assign ( residue 4 and name C )
! ( residue 5 and name N )
! ( residue 5 and name CA)
! ( residue 5 and name C )
! 1.0 -120.0 30.0 2
! {PHI}
!assign ( residue 5 and name C )
! ( residue 6 and name N )
! ( residue 6 and name CA)
! ( residue 6 and name C )
! 1.0 -120.0 30.0 2
! {PHI}
!assign ( residue 6 and name C )
! ( residue 7 and name N )
! ( residue 7 and name CA)
! ( residue 7 and name C )
! 1.0 -120.0 30.0 2
{sheet II}
{PHI}
!assign ( residue 12 and name C )
! ( residue 13 and name N )
! ( residue 13 and name CA)
! ( residue 13 and name C )
! 1.0 -120.0 30.0 2
{PHI}
assign ( residue 13 and name C )
( residue 14 and name N )
( residue 14 and name CA)
( residue 14 and name C )
1.0 -120.0 30.0 2
{PHI}
!assign ( residue 14 and name C )
! ( residue 15 and name N )
! ( residue 15 and name CA)
! ( residue 15 and name C )
! 1.0 -120.0 30.0 2
{PHI}
assign ( residue 15 and name C )
( residue 16 and name N )
( residue 16 and name CA)
( residue 16 and name C )
1.0 -120.0 30.0 2
{PHI}
assign ( residue 16 and name C )
( residue 17 and name N )
( residue 17 and name CA)
( residue 17 and name C )
1.0 -120.0 30.0 2
{helix I}
{PHI}
!assign ( residue 22 and name C )
! ( residue 23 and name N )
! ( residue 23 and name CA)
! ( residue 23 and name C )
! 1.0 -63.0 30.0 2
{PHI}
assign ( residue 23 and name C )
( residue 24 and name N )
( residue 24 and name CA)
( residue 24 and name C )
1.0 -63.0 30.0 2
{PHI}
assign ( residue 24 and name C )
( residue 25 and name N )
( residue 25 and name CA)
( residue 25 and name C )
1.0 -63.0 30.0 2
{PHI}
assign ( residue 25 and name C )
( residue 26 and name N )
( residue 26 and name CA)
( residue 26 and name C )
1.0 -63.0 30.0 2
{PHI}
assign ( residue 26 and name C )
( residue 27 and name N )
( residue 27 and name CA)
( residue 27 and name C )
1.0 -63.0 30.0 2
{PHI}
assign ( residue 27 and name C )
( residue 28 and name N )
( residue 28 and name CA)
( residue 28 and name C )
1.0 -63.0 30.0 2
{PHI}
assign ( residue 28 and name C )
( residue 29 and name N )
( residue 29 and name CA)
( residue 29 and name C )
1.0 -63.0 30.0 2
{PHI}
assign ( residue 29 and name C )
( residue 30 and name N )
( residue 30 and name CA)
( residue 30 and name C )
1.0 -63.0 30.0 2
{PHI}
!assign ( residue 30 and name C )
! ( residue 31 and name N )
! ( residue 31 and name CA)
! ( residue 31 and name C )
! 1.0 -63.0 30.0 2
!restraints from hnha data
! extended structure or beta sheet with J = 10.0
assi (resid 2 and name C) (resid 3 and name N)
(resid 3 and name CA) (resid 3 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 10.4
assi (resid 3 and name C) (resid 4 and name N)
(resid 4 and name CA) (resid 4 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 10.2
assi (resid 4 and name C) (resid 5 and name N)
(resid 5 and name CA) (resid 5 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 9.7
assi (resid 5 and name C) (resid 6 and name N)
(resid 6 and name CA) (resid 6 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 8.9
assi (resid 6 and name C) (resid 7 and name N)
(resid 7 and name CA) (resid 7 and name C) 1 -120.0 30.0 2
! alpha helix with J = 4.5
assi (resid 7 and name C) (resid 8 and name N)
(resid 8 and name CA) (resid 8 and name C) 1 -60.0 30.0 2
! extended structure or beta sheet with J = 9.4
assi (resid 8 and name C) (resid 9 and name N)
(resid 9 and name CA) (resid 9 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 10.1
assi (resid 11 and name C) (resid 12 and name N)
(resid 12 and name CA) (resid 12 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 9.9
assi (resid 12 and name C) (resid 13 and name N)
(resid 13 and name CA) (resid 13 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 10.1
assi (resid 14 and name C) (resid 15 and name N)
(resid 15 and name CA) (resid 15 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 8.7
assi (resid 17 and name C) (resid 18 and name N)
(resid 18 and name CA) (resid 18 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 8.4
assi (resid 21 and name C) (resid 22 and name N)
(resid 22 and name CA) (resid 22 and name C) 1 -120.0 30.0 2
! alpha helix with J = 3.8
assi (resid 22 and name C) (resid 23 and name N)
(resid 23 and name CA) (resid 23 and name C) 1 -60.0 30.0 2
! alpha helix with J = 4.2
assi (resid 30 and name C) (resid 31 and name N)
(resid 31 and name CA) (resid 31 and name C) 1 -60.0 30.0 2
! alpha helix with J = 3.5
assi (resid 31 and name C) (resid 32 and name N)
(resid 32 and name CA) (resid 32 and name C) 1 -60.0 30.0 2
! extended structure or beta sheet with J = 10.1
assi (resid 33 and name C) (resid 34 and name N)
(resid 34 and name CA) (resid 34 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 8.4
assi (resid 35 and name C) (resid 36 and name N)
(resid 36 and name CA) (resid 36 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 9.7
assi (resid 39 and name C) (resid 40 and name N)
(resid 40 and name CA) (resid 40 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 8.5
assi (resid 40 and name C) (resid 41 and name N)
(resid 41 and name CA) (resid 41 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 10.0
assi (resid 41 and name C) (resid 42 and name N)
(resid 42 and name CA) (resid 42 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 9.7
assi (resid 42 and name C) (resid 43 and name N)
(resid 43 and name CA) (resid 43 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 10.4
assi (resid 43 and name C) (resid 44 and name N)
(resid 44 and name CA) (resid 44 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 10.0
assi (resid 47 and name C) (resid 48 and name N)
(resid 48 and name CA) (resid 48 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 8.8
assi (resid 50 and name C) (resid 51 and name N)
(resid 51 and name CA) (resid 51 and name C) 1 -120.0 30.0 2
! alpha helix with J = 3.1
assi (resid 51 and name C) (resid 52 and name N)
(resid 52 and name CA) (resid 52 and name C) 1 -60.0 30.0 2
! extended structure or beta sheet with J = 9.7
assi (resid 53 and name C) (resid 54 and name N)
(resid 54 and name CA) (resid 54 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 9.4
assi (resid 54 and name C) (resid 55 and name N)
(resid 55 and name CA) (resid 55 and name C) 1 -120.0 30.0 2
! alpha helix with J = 4.0
assi (resid 55 and name C) (resid 56 and name N)
(resid 56 and name CA) (resid 56 and name C) 1 -60.0 30.0 2
! alpha helix with J = 3.6
assi (resid 56 and name C) (resid 57 and name N)
(resid 57 and name CA) (resid 57 and name C) 1 -60.0 30.0 2
! extended structure or beta sheet with J = 10.3
assi (resid 58 and name C) (resid 59 and name N)
(resid 59 and name CA) (resid 59 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 9.8
assi (resid 61 and name C) (resid 62 and name N)
(resid 62 and name CA) (resid 62 and name C) 1 -120.0 30.0 2
! alpha helix with J = 2.5
assi (resid 62 and name C) (resid 63 and name N)
(resid 63 and name CA) (resid 63 and name C) 1 -60.0 30.0 2
! extended structure or beta sheet with J = 10.1
assi (resid 65 and name C) (resid 66 and name N)
(resid 66 and name CA) (resid 66 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 10.4
assi (resid 66 and name C) (resid 67 and name N)
(resid 67 and name CA) (resid 67 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 9.7
assi (resid 67 and name C) (resid 68 and name N)
(resid 68 and name CA) (resid 68 and name C) 1 -120.0 30.0 2
! extended structure or beta sheet with J = 10.2
assi (resid 69 and name C) (resid 70 and name N)
(resid 70 and name CA) (resid 70 and name C) 1 -120.0 30.0 2
!___________________________________________________
!
! side chain (chi) angle restraints
!___________________________________________________
!chi1's from hacahb and hnhb data
! leu3 chi1
assi (resid 3 and name N) (resid 3 and name CA)
(resid 3 and name CB) (resid 3 and name CG) 1.0 -60.0 30.0 2
! phe4 chi1
assi (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
! lys6 chi1
assi (resid 6 and name N) (resid 6 and name CA)
(resid 6 and name CB) (resid 6 and name CG) 1.0 60.0 30.0 2
! glu18 chi1
assi (resid 18 and name N) (resid 18 and name CA)
(resid 18 and name CB) (resid 18 and name CG) 1.0 -60.0 30.0 2
! ser20 chi1
assi (resid 20 and name N) (resid 20 and name CA)
(resid 20 and name CB) (resid 20 and name OG) 1.0 60.0 30.0 2
! asp21 chi1
assi (resid 21 and name N) (resid 21 and name CA)
(resid 21 and name CB) (resid 21 and name CG) 1.0 -60.0 30.0 2
! asn25 chi1
assi (resid 25 and name N) (resid 25 and name CA)
(resid 25 and name CB) (resid 25 and name CG) 1.0 -60.0 30.0 2
! leu26 chi1
assi (resid 26 and name N) (resid 26 and name CA)
(resid 26 and name CB) (resid 26 and name CG) 1.0 180.0 30.0 2
! lys27 chi1
assi (resid 27 and name N) (resid 27 and name CA)
(resid 27 and name CB) (resid 27 and name CG) 1.0 -60.0 30.0 2
! lys29 chi1
assi (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
! gln40 chi1
assi (resid 40 and name N) (resid 40 and name CA)
(resid 40 and name CB) (resid 40 and name CG) 1.0 -60.0 30.0 2
! leu43 chi1
assi (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
! leu50 chi1
assi (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
! glu51 chi1
assi (resid 51 and name N) (resid 51 and name CA)
(resid 51 and name CB) (resid 51 and name CG) 1.0 -60.0 30.0 2
! leu56 chi1
assi (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
! asp58 chi1
assi (resid 58 and name N) (resid 58 and name CA)
(resid 58 and name CB) (resid 58 and name CG) 1.0 -60.0 30.0 2
! tyr59 chi1
assi (resid 59 and name N) (resid 59 and name CA)
(resid 59 and name CB) (resid 59 and name CG) 1.0 -60.0 30.0 2
! asn60 chi1
assi (resid 60 and name N) (resid 60 and name CA)
(resid 60 and name CB) (resid 60 and name CG) 1.0 60.0 30.0 2
! gln62 chi1
assi (resid 62 and name N) (resid 62 and name CA)
(resid 62 and name CB) (resid 62 and name CG) 1.0 -60.0 30.0 2
! ser65 chi1
assi (resid 65 and name N) (resid 65 and name CA)
(resid 65 and name CB) (resid 65 and name OG) 1.0 -60.0 30.0 2
!chi1's for val's, thr's, and ile's from jcnc and jccoc experiments
! val5 chi1
assi (resid 5 and name N) (resid 5 and name CA)
(resid 5 and name CB) (resid 5 and name CG1) 1.0 180.0 30.0 2
! thr7 chi1
assi (resid 7 and name N) (resid 7 and name CA)
(resid 7 and name CB) (resid 7 and name OG1) 1.0 60.0 30.0 2
! thr9 chi1
assi (resid 9 and name N) (resid 9 and name CA)
(resid 9 and name CB) (resid 9 and name OG1) 1.0 60.0 30.0 2
! thr12 chi1
assi (resid 12 and name N) (resid 12 and name CA)
(resid 12 and name CB) (resid 12 and name OG1) 1.0 -60.0 30.0 2
! thr14 chi1
assi (resid 14 and name N) (resid 14 and name CA)
(resid 14 and name CB) (resid 14 and name OG1) 1.0 -60.0 30.0 2
! val15 chi1
assi (resid 15 and name N) (resid 15 and name CA)
(resid 15 and name CB) (resid 15 and name CG1) 1.0 -60.0 30.0 2
! thr22 chi1
assi (resid 22 and name N) (resid 22 and name CA)
(resid 22 and name CB) (resid 22 and name OG1) 1.0 60.0 30.0 2
! val23 chi1
assi (resid 23 and name N) (resid 23 and name CA)
(resid 23 and name CB) (resid 23 and name CG1) 1.0 180.0 30.0 2
! ile30 chi1
assi (resid 30 and name N) (resid 30 and name CA)
(resid 30 and name CB) (resid 30 and name CG1) 1.0 -60.0 30.0 2
! ile36 chi1
assi (resid 36 and name N) (resid 36 and name CA)
(resid 36 and name CB) (resid 36 and name CG1) 1.0 -60.0 30.0 2
! ile44 chi1
assi (resid 44 and name N) (resid 44 and name CA)
(resid 44 and name CB) (resid 44 and name CG1) 1.0 -60.0 30.0 2
! thr55 chi1
assi (resid 55 and name N) (resid 55 and name CA)
(resid 55 and name CB) (resid 55 and name OG1) 1.0 60.0 30.0 2
! ile67 chi1
assi (resid 67 and name N) (resid 67 and name CA)
(resid 67 and name CB) (resid 67 and name CG1) 1.0 -60.0 30.0 2
!chi2's of leucines from lrcc experiment
! leu3 chi2
assi (resid 3 and name CA) (resid 3 and name CB)
(resid 3 and name CG) (resid 3 and name CD1) 1.0 180.0 30.0 2
! leu26 chi2
assi (resid 26 and name CA) (resid 26 and name CB)
(resid 26 and name CG) (resid 26 and name CD1) 1.0 60.0 30.0 2
! leu43 chi2
assi (resid 43 and name CA) (resid 43 and name CB)
(resid 43 and name CG) (resid 43 and name CD1) 1.0 180.0 30.0 2
! leu50 chi2
assi (resid 50 and name CA) (resid 50 and name CB)
(resid 50 and name CG) (resid 50 and name CD1) 1.0 180.0 30.0 2
! leu56 chi2
assi (resid 56 and name CA) (resid 56 and name CB)
(resid 56 and name CG) (resid 56 and name CD1) 1.0 180.0 30.0 2