NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1029 |
17ra   |
cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
! backbone constraints for the ra17 hairpin
! last updated 1.7.98 by jeff s.
!
!
! U11 U12
! / \ the ra17 hairpin!
! A10 A13
! \ /
! G9 - C14
! G8 - C15
! A7
! ? U16
! A6
! U5 - A17
! G4 - U18
! C3 - G19
! G2 - C20
! G1 - C21
! 5' 3'
!
!
! ****************************************************************************
!
! beta
!
! ****************************************************************************
!
! note: i'm less confident of these. for residues with
! P-H5'/5'' crosspeaks in the HetCor spectrum, i'm just
! not constraining them.
!
! G1 - no 5' phosphate
!
!
! G2
!
assign (segid RA17 and resid 2 and name P )
(segid RA17 and resid 2 and name O5')
(segid RA17 and resid 2 and name C5')
(segid RA17 and resid 2 and name C4') 30.0 -180 20.0 2
!
! C3
!
assign (segid RA17 and resid 3 and name P )
(segid RA17 and resid 3 and name O5')
(segid RA17 and resid 3 and name C5')
(segid RA17 and resid 3 and name C4') 30.0 -180 20.0 2
!
! G4
!
assign (segid RA17 and resid 4 and name P )
(segid RA17 and resid 4 and name O5')
(segid RA17 and resid 4 and name C5')
(segid RA17 and resid 4 and name C4') 30.0 -180 20.0 2
!
! U5
!
assign (segid RA17 and resid 5 and name P )
(segid RA17 and resid 5 and name O5')
(segid RA17 and resid 5 and name C5')
(segid RA17 and resid 5 and name C4') 30.0 -180 20.0 2
!
! A6 (no P-H5'/5" peak in HetCor)
!
assign (segid RA17 and resid 6 and name P )
(segid RA17 and resid 6 and name O5')
(segid RA17 and resid 6 and name C5')
(segid RA17 and resid 6 and name C4') 30.0 -180 20.0 2
!
! A7 (no P-H5'/5" peak in HetCor)
!
assign (segid RA17 and resid 7 and name P )
(segid RA17 and resid 7 and name O5')
(segid RA17 and resid 7 and name C5')
(segid RA17 and resid 7 and name C4') 30.0 -180 20.0 2
!
! G8
!
!assign (segid RA17 and resid 8 and name P )
! (segid RA17 and resid 8 and name O5')
! (segid RA17 and resid 8 and name C5')
! (segid RA17 and resid 8 and name C4') 30.0 -180 20.0 2
!
! G9
!
assign (segid RA17 and resid 9 and name P )
(segid RA17 and resid 9 and name O5')
(segid RA17 and resid 9 and name C5')
(segid RA17 and resid 9 and name C4') 30.0 -180 20.0 2
!
! A10 (weak P-H5' peak in HetCor)
!
!assign (segid RA17 and resid 10 and name P )
! (segid RA17 and resid 10 and name O5')
! (segid RA17 and resid 10 and name C5')
! (segid RA17 and resid 10 and name C4') 30.0 -180 20.0 2
!
! U11 (weak P-H5" peak in HetCor)
!
!assign (segid RA17 and resid 11 and name P )
! (segid RA17 and resid 11 and name O5')
! (segid RA17 and resid 11 and name C5')
! (segid RA17 and resid 11 and name C4') 30.0 -180 20.0 2
!
! U12 (P-H5' and P-H5" peaks in HetCor)
!
!assign (segid RA17 and resid 12 and name P )
! (segid RA17 and resid 12 and name O5')
! (segid RA17 and resid 12 and name C5')
! (segid RA17 and resid 12 and name C4') 30.0 -180 20.0 2
!
! A13 (P-H5'/5" peaks in HetCor)
!
!assign (segid RA17 and resid 13 and name P )
! (segid RA17 and resid 13 and name O5')
! (segid RA17 and resid 13 and name C5')
! (segid RA17 and resid 13 and name C4') 30.0 -180 20.0 2
!
! C14 (P-H5'/5" peaks in HetCor)
!
!assign (segid RA17 and resid 14 and name P )
! (segid RA17 and resid 14 and name O5')
! (segid RA17 and resid 14 and name C5')
! (segid RA17 and resid 14 and name C4') 30.0 -180 20.0 2
!
! C15
!
assign (segid RA17 and resid 15 and name P )
(segid RA17 and resid 15 and name O5')
(segid RA17 and resid 15 and name C5')
(segid RA17 and resid 15 and name C4') 30.0 -180 20.0 2
!
! U16 (weak P-H5' peak in HetCor)
!
!assign (segid RA17 and resid 16 and name P )
! (segid RA17 and resid 16 and name O5')
! (segid RA17 and resid 16 and name C5')
! (segid RA17 and resid 16 and name C4') 30.0 -180 20.0 2
!
! A17
!
!assign (segid RA17 and resid 17 and name P )
! (segid RA17 and resid 17 and name O5')
! (segid RA17 and resid 17 and name C5')
! (segid RA17 and resid 17 and name C4') 30.0 -180 20.0 2
!
! U18
!
assign (segid RA17 and resid 18 and name P )
(segid RA17 and resid 18 and name O5')
(segid RA17 and resid 18 and name C5')
(segid RA17 and resid 18 and name C4') 30.0 -180 20.0 2
!
! G19
!
assign (segid RA17 and resid 19 and name P )
(segid RA17 and resid 19 and name O5')
(segid RA17 and resid 19 and name C5')
(segid RA17 and resid 19 and name C4') 30.0 -180 20.0 2
!
! C20
!
assign (segid RA17 and resid 20 and name P )
(segid RA17 and resid 20 and name O5')
(segid RA17 and resid 20 and name C5')
(segid RA17 and resid 20 and name C4') 30.0 -180 20.0 2
!
! C21
!
assign (segid RA17 and resid 21 and name P )
(segid RA17 and resid 21 and name O5')
(segid RA17 and resid 21 and name C5')
(segid RA17 and resid 21 and name C4') 30.0 -180 20.0 2
!
! ****************************************************************************
!
! gamma
!
! ****************************************************************************
!
! note: i'm constraining these to normal a-form limits unless i see a H4' to H5'
! crosspeak in the DQF-COSY and/or unequal H4' to H5'/5" crosspeaks in the
! 3D 75ms NOESY, in which case i'm leaving them unconstrained.
!
! G1 (doesn't really matter)
!
!assign (segid RA17 and resid 1 and name O5')
! (segid RA17 and resid 1 and name C5')
! (segid RA17 and resid 1 and name C4')
! (segid RA17 and resid 1 and name C3') 30.0 60.0 20.0 2
!
! G2
!
assign (segid RA17 and resid 2 and name O5')
(segid RA17 and resid 2 and name C5')
(segid RA17 and resid 2 and name C4')
(segid RA17 and resid 2 and name C3') 30.0 60.0 20.0 2
!
! C3
!
assign (segid RA17 and resid 3 and name O5')
(segid RA17 and resid 3 and name C5')
(segid RA17 and resid 3 and name C4')
(segid RA17 and resid 3 and name C3') 30.0 60.0 20.0 2
!
! G4
!
assign (segid RA17 and resid 4 and name O5')
(segid RA17 and resid 4 and name C5')
(segid RA17 and resid 4 and name C4')
(segid RA17 and resid 4 and name C3') 30.0 60.0 20.0 2
!
! U5
!
assign (segid RA17 and resid 5 and name O5')
(segid RA17 and resid 5 and name C5')
(segid RA17 and resid 5 and name C4')
(segid RA17 and resid 5 and name C3') 30.0 60.0 20.0 2
!
! A6 (unequal H4'-H5'/5" peaks in 75ms 3D NOESY?)
!
!assign (segid RA17 and resid 6 and name O5')
! (segid RA17 and resid 6 and name C5')
! (segid RA17 and resid 6 and name C4')
! (segid RA17 and resid 6 and name C3') 30.0 60.0 20.0 2
!
! A7 (unequal H4'-H5'/5" peaks in 75ms 3D NOESY?)
!
!assign (segid RA17 and resid 7 and name O5')
! (segid RA17 and resid 7 and name C5')
! (segid RA17 and resid 7 and name C4')
! (segid RA17 and resid 7 and name C3') 30.0 60.0 20.0 2
!
! G8
!
assign (segid RA17 and resid 8 and name O5')
(segid RA17 and resid 8 and name C5')
(segid RA17 and resid 8 and name C4')
(segid RA17 and resid 8 and name C3') 30.0 60.0 20.0 2
!
! G9
!
assign (segid RA17 and resid 9 and name O5')
(segid RA17 and resid 9 and name C5')
(segid RA17 and resid 9 and name C4')
(segid RA17 and resid 9 and name C3') 30.0 60.0 20.0 2
!
! A10
!
assign (segid RA17 and resid 10 and name O5')
(segid RA17 and resid 10 and name C5')
(segid RA17 and resid 10 and name C4')
(segid RA17 and resid 10 and name C3') 30.0 60.0 20.0 2
!
! U11 (unequal H4'-H5'/5" in 3D 75ms NOESY-CT-HSQC,
! weak H4'-H5' peak in DQF-COSY)
!
!assign (segid RA17 and resid 11 and name O5')
! (segid RA17 and resid 11 and name C5')
! (segid RA17 and resid 11 and name C4')
! (segid RA17 and resid 11 and name C3') 30.0 -120.0 110.0 2
!
! U12 (unequal H4'-H5'/5" in 3D 75ms NOESY-CT-HSQC,
! H4'-H5' peak in DQF-COSY)
!
assign (segid RA17 and resid 12 and name O5')
(segid RA17 and resid 12 and name C5')
(segid RA17 and resid 12 and name C4')
(segid RA17 and resid 12 and name C3') 30.0 -120.0 120.0 2
!
! A13 (unequal H4'-H5'/5" in 3D 75ms NOESY-CT-HSQC,
! H4'-H5' peak in DQF-COSY)
!
assign (segid RA17 and resid 13 and name O5')
(segid RA17 and resid 13 and name C5')
(segid RA17 and resid 13 and name C4')
(segid RA17 and resid 13 and name C3') 30.0 -120.0 120.0 2
!
! C14
!
assign (segid RA17 and resid 14 and name O5')
(segid RA17 and resid 14 and name C5')
(segid RA17 and resid 14 and name C4')
(segid RA17 and resid 14 and name C3') 30.0 60.0 20.0 2
!
! C15
!
assign (segid RA17 and resid 15 and name O5')
(segid RA17 and resid 15 and name C5')
(segid RA17 and resid 15 and name C4')
(segid RA17 and resid 15 and name C3') 30.0 60.0 20.0 2
!
! U16
!
assign (segid RA17 and resid 16 and name O5')
(segid RA17 and resid 16 and name C5')
(segid RA17 and resid 16 and name C4')
(segid RA17 and resid 16 and name C3') 30.0 60.0 20.0 2
!
! A17
!
assign (segid RA17 and resid 17 and name O5')
(segid RA17 and resid 17 and name C5')
(segid RA17 and resid 17 and name C4')
(segid RA17 and resid 17 and name C3') 30.0 60.0 20.0 2
!
! U18
!
assign (segid RA17 and resid 18 and name O5')
(segid RA17 and resid 18 and name C5')
(segid RA17 and resid 18 and name C4')
(segid RA17 and resid 18 and name C3') 30.0 60.0 20.0 2
!
! G19
!
assign (segid RA17 and resid 19 and name O5')
(segid RA17 and resid 19 and name C5')
(segid RA17 and resid 19 and name C4')
(segid RA17 and resid 19 and name C3') 30.0 60.0 20.0 2
!
! C20
!
assign (segid RA17 and resid 20 and name O5')
(segid RA17 and resid 20 and name C5')
(segid RA17 and resid 20 and name C4')
(segid RA17 and resid 20 and name C3') 30.0 60.0 20.0 2
!
! C21
!
assign (segid RA17 and resid 21 and name O5')
(segid RA17 and resid 21 and name C5')
(segid RA17 and resid 21 and name C4')
(segid RA17 and resid 21 and name C3') 30.0 60.0 20.0 2
!
! ****************************************************************************
!
! epsilon
!
! ****************************************************************************
!
! note: for residues where i couldn't measure the C2'-P coupling, i'm
! constraining epsilon based on the 3J(H3'-P) > 5Hz, mainly just
! to exclude the gauche+ conformation.
!
! G1
!
assign (segid RA17 and resid 1 and name C4')
(segid RA17 and resid 1 and name C3')
(segid RA17 and resid 1 and name O3')
(segid RA17 and resid 2 and name P ) 30.0 -120.0 45.0 2
!
! G2
!
assign (segid RA17 and resid 2 and name C4')
(segid RA17 and resid 2 and name C3')
(segid RA17 and resid 2 and name O3')
(segid RA17 and resid 3 and name P ) 30.0 -120.0 45.0 2
!
! C3 (trans)
!
assign (segid RA17 and resid 3 and name C4')
(segid RA17 and resid 3 and name C3')
(segid RA17 and resid 3 and name O3')
(segid RA17 and resid 4 and name P ) 30.0 -145.0 20.0 2
!
! G4 (trans)
!
assign (segid RA17 and resid 4 and name C4')
(segid RA17 and resid 4 and name C3')
(segid RA17 and resid 4 and name O3')
(segid RA17 and resid 5 and name P ) 30.0 -145.0 20.0 2
!
! U5 (trans)
!
assign (segid RA17 and resid 5 and name C4')
(segid RA17 and resid 5 and name C3')
(segid RA17 and resid 5 and name O3')
(segid RA17 and resid 6 and name P ) 30.0 -145.0 20.0 2
!
! A6 (trans)
!
assign (segid RA17 and resid 6 and name C4')
(segid RA17 and resid 6 and name C3')
(segid RA17 and resid 6 and name O3')
(segid RA17 and resid 7 and name P ) 30.0 -145.0 20.0 2
!
! A7 (trans)
!
assign (segid RA17 and resid 7 and name C4')
(segid RA17 and resid 7 and name C3')
(segid RA17 and resid 7 and name O3')
(segid RA17 and resid 8 and name P ) 30.0 -145.0 20.0 2
!
! G8
!
assign (segid RA17 and resid 8 and name C4')
(segid RA17 and resid 8 and name C3')
(segid RA17 and resid 8 and name O3')
(segid RA17 and resid 9 and name P ) 30.0 -120.0 45.0 2
!
! G9 (trans)
!
assign (segid RA17 and resid 9 and name C4')
(segid RA17 and resid 9 and name C3')
(segid RA17 and resid 9 and name O3')
(segid RA17 and resid 10 and name P ) 30.0 -145.0 20.0 2
!
! A10 (trans)
!
assign (segid RA17 and resid 10 and name C4')
(segid RA17 and resid 10 and name C3')
(segid RA17 and resid 10 and name O3')
(segid RA17 and resid 11 and name P ) 30.0 -145.0 20.0 2
!
! U11 (gauche-)
!
assign (segid RA17 and resid 11 and name C4')
(segid RA17 and resid 11 and name C3')
(segid RA17 and resid 11 and name O3')
(segid RA17 and resid 12 and name P ) 30.0 -100.0 25.0 2
!
! U12
!
assign (segid RA17 and resid 12 and name C4')
(segid RA17 and resid 12 and name C3')
(segid RA17 and resid 12 and name O3')
(segid RA17 and resid 13 and name P ) 30.0 -120.0 45.0 2
!
! A13 (trans)
!
assign (segid RA17 and resid 13 and name C4')
(segid RA17 and resid 13 and name C3')
(segid RA17 and resid 13 and name O3')
(segid RA17 and resid 14 and name P ) 30.0 -145.0 20.0 2
!
! C14 (trans)
!
assign (segid RA17 and resid 14 and name C4')
(segid RA17 and resid 14 and name C3')
(segid RA17 and resid 14 and name O3')
(segid RA17 and resid 15 and name P ) 30.0 -145.0 20.0 2
!
! C15 (trans)
!
assign (segid RA17 and resid 15 and name C4')
(segid RA17 and resid 15 and name C3')
(segid RA17 and resid 15 and name O3')
(segid RA17 and resid 16 and name P ) 30.0 -145.0 20.0 2
!
! U16
!
assign (segid RA17 and resid 16 and name C4')
(segid RA17 and resid 16 and name C3')
(segid RA17 and resid 16 and name O3')
(segid RA17 and resid 17 and name P ) 30.0 -120.0 45.0 2
!
! A17
!
assign (segid RA17 and resid 17 and name C4')
(segid RA17 and resid 17 and name C3')
(segid RA17 and resid 17 and name O3')
(segid RA17 and resid 18 and name P ) 30.0 -120.0 45.0 2
!
! U18
!
assign (segid RA17 and resid 18 and name C4')
(segid RA17 and resid 18 and name C3')
(segid RA17 and resid 18 and name O3')
(segid RA17 and resid 19 and name P ) 30.0 -120.0 45.0 2
!
! G19 (trans)
!
assign (segid RA17 and resid 19 and name C4')
(segid RA17 and resid 19 and name C3')
(segid RA17 and resid 19 and name O3')
(segid RA17 and resid 20 and name P ) 30.0 -145.0 20.0 2
!
! C20 (trans)
!
assign (segid RA17 and resid 20 and name C4')
(segid RA17 and resid 20 and name C3')
(segid RA17 and resid 20 and name O3')
(segid RA17 and resid 21 and name P ) 30.0 -145.0 20.0 2
!
! C21 (no constraint: no 3' phosphate in molecular model)
!
! backbone alpha + zeta constraints for the ra17 hairpin
! last updated 11.13.97 by jeff s.
!
!
! U11 U12
! / \ the ra17 hairpin!
! A10 A13
! \ /
! G9 - C14
! G8 - C15
! A7
! ? U16
! A6
! U5 - A17
! G4 - U18
! C3 - G19
! G2 - C20
! G1 - C21
! 5' 3'
!
!
! ****************************************************************************
!
! alpha
!
! ****************************************************************************
!
! note: since all P31 shifts cluster together, alpha and zeta are being
! constrained to within normal a-form values
!
! G1 (no constraint: no 5' phosphate in molecular model)
!
!
! G2
!
assign (segid RA17 and resid 1 and name O3')
(segid RA17 and resid 2 and name P )
(segid RA17 and resid 2 and name O5')
(segid RA17 and resid 2 and name C5') 30.0 0.0 120.0 2
!
! C3
!
assign (segid RA17 and resid 2 and name O3')
(segid RA17 and resid 3 and name P )
(segid RA17 and resid 3 and name O5')
(segid RA17 and resid 3 and name C5') 30.0 0.0 120.0 2
!
! G4
!
assign (segid RA17 and resid 3 and name O3')
(segid RA17 and resid 4 and name P )
(segid RA17 and resid 4 and name O5')
(segid RA17 and resid 4 and name C5') 30.0 0.0 120.0 2
!
! U5
!
assign (segid RA17 and resid 4 and name O3')
(segid RA17 and resid 5 and name P )
(segid RA17 and resid 5 and name O5')
(segid RA17 and resid 5 and name C5') 30.0 0.0 120.0 2
!
! A6
!
!assign (segid RA17 and resid 5 and name O3')
! (segid RA17 and resid 6 and name P )
! (segid RA17 and resid 6 and name O5')
! (segid RA17 and resid 6 and name C5') 30.0 0.0 120.0 2
!
! A7
!
!assign (segid RA17 and resid 6 and name O3')
! (segid RA17 and resid 7 and name P )
! (segid RA17 and resid 7 and name O5')
! (segid RA17 and resid 7 and name C5') 30.0 0.0 120.0 2
!
! G8
!
!assign (segid RA17 and resid 7 and name O3')
! (segid RA17 and resid 8 and name P )
! (segid RA17 and resid 8 and name O5')
! (segid RA17 and resid 8 and name C5') 30.0 0.0 120.0 2
!
! G9
!
assign (segid RA17 and resid 8 and name O3')
(segid RA17 and resid 9 and name P )
(segid RA17 and resid 9 and name O5')
(segid RA17 and resid 9 and name C5') 30.0 0.0 120.0 2
!
! A10
!
!assign (segid RA17 and resid 9 and name O3')
! (segid RA17 and resid 10 and name P )
! (segid RA17 and resid 10 and name O5')
! (segid RA17 and resid 10 and name C5') 30.0 0.0 120.0 2
!
! U11
!
!assign (segid RA17 and resid 10 and name O3')
! (segid RA17 and resid 11 and name P )
! (segid RA17 and resid 11 and name O5')
! (segid RA17 and resid 11 and name C5') 30.0 0.0 120.0 2
!
! U12
!
!assign (segid RA17 and resid 11 and name O3')
! (segid RA17 and resid 12 and name P )
! (segid RA17 and resid 12 and name O5')
! (segid RA17 and resid 12 and name C5') 30.0 0.0 120.0 2
!
! A13
!
!assign (segid RA17 and resid 12 and name O3')
! (segid RA17 and resid 13 and name P )
! (segid RA17 and resid 13 and name O5')
! (segid RA17 and resid 13 and name C5') 30.0 0.0 120.0 2
!
! C14
!
!assign (segid RA17 and resid 13 and name O3')
! (segid RA17 and resid 14 and name P )
! (segid RA17 and resid 14 and name O5')
! (segid RA17 and resid 14 and name C5') 30.0 0.0 120.0 2
!
! C15
!
assign (segid RA17 and resid 14 and name O3')
(segid RA17 and resid 15 and name P )
(segid RA17 and resid 15 and name O5')
(segid RA17 and resid 15 and name C5') 30.0 0.0 120.0 2
!
! U16
!
!assign (segid RA17 and resid 15 and name O3')
! (segid RA17 and resid 16 and name P )
! (segid RA17 and resid 16 and name O5')
! (segid RA17 and resid 16 and name C5') 30.0 0.0 120.0 2
!
! A17
!
!assign (segid RA17 and resid 16 and name O3')
! (segid RA17 and resid 17 and name P )
! (segid RA17 and resid 17 and name O5')
! (segid RA17 and resid 17 and name C5') 30.0 0.0 120.0 2
!
! U18
!
assign (segid RA17 and resid 17 and name O3')
(segid RA17 and resid 18 and name P )
(segid RA17 and resid 18 and name O5')
(segid RA17 and resid 18 and name C5') 30.0 0.0 120.0 2
!
! G19
!
assign (segid RA17 and resid 18 and name O3')
(segid RA17 and resid 19 and name P )
(segid RA17 and resid 19 and name O5')
(segid RA17 and resid 19 and name C5') 30.0 0.0 120.0 2
!
! C20
!
assign (segid RA17 and resid 19 and name O3')
(segid RA17 and resid 20 and name P )
(segid RA17 and resid 20 and name O5')
(segid RA17 and resid 20 and name C5') 30.0 0.0 120.0 2
!
! C21
!
assign (segid RA17 and resid 20 and name O3')
(segid RA17 and resid 21 and name P )
(segid RA17 and resid 21 and name O5')
(segid RA17 and resid 21 and name C5') 30.0 0.0 120.0 2
!
! ****************************************************************************
!
! zeta
!
! ****************************************************************************
!
! note: since all P31 shifts cluster together, alpha and zeta are being
! constrained to within normal a-form values
!
! G1
!
assign (segid RA17 and resid 1 and name C3')
(segid RA17 and resid 1 and name O3')
(segid RA17 and resid 2 and name P )
(segid RA17 and resid 2 and name O5') 30.0 0.0 120.0 2
!
! G2
!
assign (segid RA17 and resid 2 and name C3')
(segid RA17 and resid 2 and name O3')
(segid RA17 and resid 3 and name P )
(segid RA17 and resid 3 and name O5') 30.0 0.0 120.0 2
!
! C3
!
assign (segid RA17 and resid 3 and name C3')
(segid RA17 and resid 3 and name O3')
(segid RA17 and resid 4 and name P )
(segid RA17 and resid 4 and name O5') 30.0 0.0 120.0 2
!
! G4
!
assign (segid RA17 and resid 4 and name C3')
(segid RA17 and resid 4 and name O3')
(segid RA17 and resid 5 and name P )
(segid RA17 and resid 5 and name O5') 30.0 0.0 120.0 2
!
! U5
!
!assign (segid RA17 and resid 5 and name C3')
! (segid RA17 and resid 5 and name O3')
! (segid RA17 and resid 6 and name P )
! (segid RA17 and resid 6 and name O5') 30.0 0.0 120.0 2
!
! A6
!
!assign (segid RA17 and resid 6 and name C3')
! (segid RA17 and resid 6 and name O3')
! (segid RA17 and resid 7 and name P )
! (segid RA17 and resid 7 and name O5') 30.0 0.0 120.0 2
!
! A7
!
!assign (segid RA17 and resid 7 and name C3')
! (segid RA17 and resid 7 and name O3')
! (segid RA17 and resid 8 and name P )
! (segid RA17 and resid 8 and name O5') 30.0 0.0 120.0 2
!
! G8
!
assign (segid RA17 and resid 8 and name C3')
(segid RA17 and resid 8 and name O3')
(segid RA17 and resid 9 and name P )
(segid RA17 and resid 9 and name O5') 30.0 0.0 120.0 2
!
! G9
!
!assign (segid RA17 and resid 9 and name C3')
! (segid RA17 and resid 9 and name O3')
! (segid RA17 and resid 10 and name P )
! (segid RA17 and resid 10 and name O5') 30.0 0.0 120.0 2
!
! A10
!
!assign (segid RA17 and resid 10 and name C3')
! (segid RA17 and resid 10 and name O3')
! (segid RA17 and resid 11 and name P )
! (segid RA17 and resid 11 and name O5') 30.0 0.0 120.0 2
!
! U11
!
!assign (segid RA17 and resid 11 and name C3')
! (segid RA17 and resid 11 and name O3')
! (segid RA17 and resid 12 and name P )
! (segid RA17 and resid 12 and name O5') 30.0 0.0 120.0 2
!
! U12
!
!assign (segid RA17 and resid 12 and name C3')
! (segid RA17 and resid 12 and name O3')
! (segid RA17 and resid 13 and name P )
! (segid RA17 and resid 13 and name O5') 30.0 0.0 120.0 2
!
! A13
!
!assign (segid RA17 and resid 13 and name C3')
! (segid RA17 and resid 13 and name O3')
! (segid RA17 and resid 14 and name P )
! (segid RA17 and resid 14 and name O5') 30.0 0.0 120.0 2
!
! C14
!
assign (segid RA17 and resid 14 and name C3')
(segid RA17 and resid 14 and name O3')
(segid RA17 and resid 15 and name P )
(segid RA17 and resid 15 and name O5') 30.0 0.0 120.0 2
!
! C15
!
!assign (segid RA17 and resid 15 and name C3')
! (segid RA17 and resid 15 and name O3')
! (segid RA17 and resid 16 and name P )
! (segid RA17 and resid 16 and name O5') 30.0 0.0 120.0 2
!
! U16
!
!assign (segid RA17 and resid 16 and name C3')
! (segid RA17 and resid 16 and name O3')
! (segid RA17 and resid 17 and name P )
! (segid RA17 and resid 17 and name O5') 30.0 0.0 120.0 2
!
! A17
!
assign (segid RA17 and resid 17 and name C3')
(segid RA17 and resid 17 and name O3')
(segid RA17 and resid 18 and name P )
(segid RA17 and resid 18 and name O5') 30.0 0.0 120.0 2
!
! U18
!
assign (segid RA17 and resid 18 and name C3')
(segid RA17 and resid 18 and name O3')
(segid RA17 and resid 19 and name P )
(segid RA17 and resid 19 and name O5') 30.0 0.0 120.0 2
!
! G19
!
assign (segid RA17 and resid 19 and name C3')
(segid RA17 and resid 19 and name O3')
(segid RA17 and resid 20 and name P )
(segid RA17 and resid 20 and name O5') 30.0 0.0 120.0 2
!
! C20
!
assign (segid RA17 and resid 20 and name C3')
(segid RA17 and resid 20 and name O3')
(segid RA17 and resid 21 and name P )
(segid RA17 and resid 21 and name O5') 30.0 0.0 120.0 2
!
! C21 (no constraint: no 3' phosphate in molecular model)
!
! sugar pucker constraints for the ra17 hairpin
! angles determined from model-built structures
! last updated 10.17.97 by jeff s.
!
!
! U11 U12
! / \ the ra17 hairpin!
! A10 A13
! \ /
! G9 - C14
! G8 - C15
! A7
! ? U16
! A6
! U5 - A17
! G4 - U18
! C3 - G19
! G2 - C20
! G1 - C21
! 5' 3'
!
!
! G1 - intermediate
!
assign (segid RA17 and resid 1 and name O4')
(segid RA17 and resid 1 and name C4')
(segid RA17 and resid 1 and name C3')
(segid RA17 and resid 1 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 1 and name C4')
(segid RA17 and resid 1 and name C3')
(segid RA17 and resid 1 and name C2')
(segid RA17 and resid 1 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 1 and name C3')
(segid RA17 and resid 1 and name C2')
(segid RA17 and resid 1 and name C1')
(segid RA17 and resid 1 and name O4') 30.0 -25.8 3.0 2
!
! G2 - 3' endo
!
assign (segid RA17 and resid 2 and name O4')
(segid RA17 and resid 2 and name C4')
(segid RA17 and resid 2 and name C3')
(segid RA17 and resid 2 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 2 and name C4')
(segid RA17 and resid 2 and name C3')
(segid RA17 and resid 2 and name C2')
(segid RA17 and resid 2 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 2 and name C3')
(segid RA17 and resid 2 and name C2')
(segid RA17 and resid 2 and name C1')
(segid RA17 and resid 2 and name O4') 30.0 -25.8 3.0 2
!
! C3 - 3' endo
!
assign (segid RA17 and resid 3 and name O4')
(segid RA17 and resid 3 and name C4')
(segid RA17 and resid 3 and name C3')
(segid RA17 and resid 3 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 3 and name C4')
(segid RA17 and resid 3 and name C3')
(segid RA17 and resid 3 and name C2')
(segid RA17 and resid 3 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 3 and name C3')
(segid RA17 and resid 3 and name C2')
(segid RA17 and resid 3 and name C1')
(segid RA17 and resid 3 and name O4') 30.0 -25.8 3.0 2
!
! G4 - 3' endo
!
assign (segid RA17 and resid 4 and name O4')
(segid RA17 and resid 4 and name C4')
(segid RA17 and resid 4 and name C3')
(segid RA17 and resid 4 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 4 and name C4')
(segid RA17 and resid 4 and name C3')
(segid RA17 and resid 4 and name C2')
(segid RA17 and resid 4 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 4 and name C3')
(segid RA17 and resid 4 and name C2')
(segid RA17 and resid 4 and name C1')
(segid RA17 and resid 4 and name O4') 30.0 -25.8 3.0 2
!
! U5 - 3' endo
!
assign (segid RA17 and resid 5 and name O4')
(segid RA17 and resid 5 and name C4')
(segid RA17 and resid 5 and name C3')
(segid RA17 and resid 5 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 5 and name C4')
(segid RA17 and resid 5 and name C3')
(segid RA17 and resid 5 and name C2')
(segid RA17 and resid 5 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 5 and name C3')
(segid RA17 and resid 5 and name C2')
(segid RA17 and resid 5 and name C1')
(segid RA17 and resid 5 and name O4') 30.0 -25.8 3.0 2
!
! A6 - unsure/intermediate
!
!assign (segid RA17 and resid 6 and name O4')
! (segid RA17 and resid 6 and name C4')
! (segid RA17 and resid 6 and name C3')
! (segid RA17 and resid 6 and name C2') 30.0 -36.1 3.0 2
!assign (segid RA17 and resid 6 and name C4')
! (segid RA17 and resid 6 and name C3')
! (segid RA17 and resid 6 and name C2')
! (segid RA17 and resid 6 and name C1') 30.0 37.3 3.0 2
!assign (segid RA17 and resid 6 and name C3')
! (segid RA17 and resid 6 and name C2')
! (segid RA17 and resid 6 and name C1')
! (segid RA17 and resid 6 and name O4') 30.0 -25.8 3.0 2
!
! A7 - 3' endo
!
assign (segid RA17 and resid 7 and name O4')
(segid RA17 and resid 7 and name C4')
(segid RA17 and resid 7 and name C3')
(segid RA17 and resid 7 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 7 and name C4')
(segid RA17 and resid 7 and name C3')
(segid RA17 and resid 7 and name C2')
(segid RA17 and resid 7 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 7 and name C3')
(segid RA17 and resid 7 and name C2')
(segid RA17 and resid 7 and name C1')
(segid RA17 and resid 7 and name O4') 30.0 -25.8 3.0 2
!
! G8 - 3' endo
!
assign (segid RA17 and resid 8 and name O4')
(segid RA17 and resid 8 and name C4')
(segid RA17 and resid 8 and name C3')
(segid RA17 and resid 8 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 8 and name C4')
(segid RA17 and resid 8 and name C3')
(segid RA17 and resid 8 and name C2')
(segid RA17 and resid 8 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 8 and name C3')
(segid RA17 and resid 8 and name C2')
(segid RA17 and resid 8 and name C1')
(segid RA17 and resid 8 and name O4') 30.0 -25.8 3.0 2
!
! G9 - 3' endo
!
assign (segid RA17 and resid 9 and name O4')
(segid RA17 and resid 9 and name C4')
(segid RA17 and resid 9 and name C3')
(segid RA17 and resid 9 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 9 and name C4')
(segid RA17 and resid 9 and name C3')
(segid RA17 and resid 9 and name C2')
(segid RA17 and resid 9 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 9 and name C3')
(segid RA17 and resid 9 and name C2')
(segid RA17 and resid 9 and name C1')
(segid RA17 and resid 9 and name O4') 30.0 -25.8 3.0 2
!
! A10 - 3' endo
!
assign (segid RA17 and resid 10 and name O4')
(segid RA17 and resid 10 and name C4')
(segid RA17 and resid 10 and name C3')
(segid RA17 and resid 10 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 10 and name C4')
(segid RA17 and resid 10 and name C3')
(segid RA17 and resid 10 and name C2')
(segid RA17 and resid 10 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 10 and name C3')
(segid RA17 and resid 10 and name C2')
(segid RA17 and resid 10 and name C1')
(segid RA17 and resid 10 and name O4') 30.0 -25.8 3.0 2
!
! U11 - 2' endo
!
assign (segid RA17 and resid 11 and name O4')
(segid RA17 and resid 11 and name C4')
(segid RA17 and resid 11 and name C3')
(segid RA17 and resid 11 and name C2') 30.0 33.3 3.0 2
assign (segid RA17 and resid 11 and name C4')
(segid RA17 and resid 11 and name C3')
(segid RA17 and resid 11 and name C2')
(segid RA17 and resid 11 and name C1') 30.0 -34.9 3.0 2
assign (segid RA17 and resid 11 and name C3')
(segid RA17 and resid 11 and name C2')
(segid RA17 and resid 11 and name C1')
(segid RA17 and resid 11 and name O4') 30.0 24.9 3.0 2
!
! U12 - 2' endo
!
assign (segid RA17 and resid 12 and name O4')
(segid RA17 and resid 12 and name C4')
(segid RA17 and resid 12 and name C3')
(segid RA17 and resid 12 and name C2') 30.0 33.3 3.0 2
assign (segid RA17 and resid 12 and name C4')
(segid RA17 and resid 12 and name C3')
(segid RA17 and resid 12 and name C2')
(segid RA17 and resid 12 and name C1') 30.0 -34.9 3.0 2
assign (segid RA17 and resid 12 and name C3')
(segid RA17 and resid 12 and name C2')
(segid RA17 and resid 12 and name C1')
(segid RA17 and resid 12 and name O4') 30.0 24.9 3.0 2
!
! A13 - 2' endo
!
assign (segid RA17 and resid 13 and name O4')
(segid RA17 and resid 13 and name C4')
(segid RA17 and resid 13 and name C3')
(segid RA17 and resid 13 and name C2') 30.0 33.3 3.0 2
assign (segid RA17 and resid 13 and name C4')
(segid RA17 and resid 13 and name C3')
(segid RA17 and resid 13 and name C2')
(segid RA17 and resid 13 and name C1') 30.0 -34.9 3.0 2
assign (segid RA17 and resid 13 and name C3')
(segid RA17 and resid 13 and name C2')
(segid RA17 and resid 13 and name C1')
(segid RA17 and resid 13 and name O4') 30.0 24.9 3.0 2
!
! C14 - 3' endo
!
assign (segid RA17 and resid 14 and name O4')
(segid RA17 and resid 14 and name C4')
(segid RA17 and resid 14 and name C3')
(segid RA17 and resid 14 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 14 and name C4')
(segid RA17 and resid 14 and name C3')
(segid RA17 and resid 14 and name C2')
(segid RA17 and resid 14 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 14 and name C3')
(segid RA17 and resid 14 and name C2')
(segid RA17 and resid 14 and name C1')
(segid RA17 and resid 14 and name O4') 30.0 -25.8 3.0 2
!
! C15 - 3' endo
!
assign (segid RA17 and resid 15 and name O4')
(segid RA17 and resid 15 and name C4')
(segid RA17 and resid 15 and name C3')
(segid RA17 and resid 15 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 15 and name C4')
(segid RA17 and resid 15 and name C3')
(segid RA17 and resid 15 and name C2')
(segid RA17 and resid 15 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 15 and name C3')
(segid RA17 and resid 15 and name C2')
(segid RA17 and resid 15 and name C1')
(segid RA17 and resid 15 and name O4') 30.0 -25.8 3.0 2
!
! U16 - 3' endo
!
assign (segid RA17 and resid 16 and name O4')
(segid RA17 and resid 16 and name C4')
(segid RA17 and resid 16 and name C3')
(segid RA17 and resid 16 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 16 and name C4')
(segid RA17 and resid 16 and name C3')
(segid RA17 and resid 16 and name C2')
(segid RA17 and resid 16 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 16 and name C3')
(segid RA17 and resid 16 and name C2')
(segid RA17 and resid 16 and name C1')
(segid RA17 and resid 16 and name O4') 30.0 -25.8 3.0 2
!
! A17 - 3' endo
!
assign (segid RA17 and resid 17 and name O4')
(segid RA17 and resid 17 and name C4')
(segid RA17 and resid 17 and name C3')
(segid RA17 and resid 17 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 17 and name C4')
(segid RA17 and resid 17 and name C3')
(segid RA17 and resid 17 and name C2')
(segid RA17 and resid 17 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 17 and name C3')
(segid RA17 and resid 17 and name C2')
(segid RA17 and resid 17 and name C1')
(segid RA17 and resid 17 and name O4') 30.0 -25.8 3.0 2
!
! U18 - 3' endo
!
assign (segid RA17 and resid 18 and name O4')
(segid RA17 and resid 18 and name C4')
(segid RA17 and resid 18 and name C3')
(segid RA17 and resid 18 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 18 and name C4')
(segid RA17 and resid 18 and name C3')
(segid RA17 and resid 18 and name C2')
(segid RA17 and resid 18 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 18 and name C3')
(segid RA17 and resid 18 and name C2')
(segid RA17 and resid 18 and name C1')
(segid RA17 and resid 18 and name O4') 30.0 -25.8 3.0 2
!
! G19 - 3' endo
!
assign (segid RA17 and resid 19 and name O4')
(segid RA17 and resid 19 and name C4')
(segid RA17 and resid 19 and name C3')
(segid RA17 and resid 19 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 19 and name C4')
(segid RA17 and resid 19 and name C3')
(segid RA17 and resid 19 and name C2')
(segid RA17 and resid 19 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 19 and name C3')
(segid RA17 and resid 19 and name C2')
(segid RA17 and resid 19 and name C1')
(segid RA17 and resid 19 and name O4') 30.0 -25.8 3.0 2
!
! C20 - 3' endo
!
assign (segid RA17 and resid 20 and name O4')
(segid RA17 and resid 20 and name C4')
(segid RA17 and resid 20 and name C3')
(segid RA17 and resid 20 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 20 and name C4')
(segid RA17 and resid 20 and name C3')
(segid RA17 and resid 20 and name C2')
(segid RA17 and resid 20 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 20 and name C3')
(segid RA17 and resid 20 and name C2')
(segid RA17 and resid 20 and name C1')
(segid RA17 and resid 20 and name O4') 30.0 -25.8 3.0 2
!
! C21 - 3' endo
!
assign (segid RA17 and resid 21 and name O4')
(segid RA17 and resid 21 and name C4')
(segid RA17 and resid 21 and name C3')
(segid RA17 and resid 21 and name C2') 30.0 -36.1 3.0 2
assign (segid RA17 and resid 21 and name C4')
(segid RA17 and resid 21 and name C3')
(segid RA17 and resid 21 and name C2')
(segid RA17 and resid 21 and name C1') 30.0 37.3 3.0 2
assign (segid RA17 and resid 21 and name C3')
(segid RA17 and resid 21 and name C2')
(segid RA17 and resid 21 and name C1')
(segid RA17 and resid 21 and name O4') 30.0 -25.8 3.0 2
Contact the webmaster for help, if required. Friday, April 19, 2024 10:27:52 PM GMT (wattos1)