NMR Restraints Grid

Result table
(Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype

532238 2l29 17127 cing 1-original 5 XPLOR/CNS distance hydrogen bond simple
{===========================================================}
! mainchain hydrogen bond distance restraints
! automatically generated by script hydrogen_bonds.inp
!      O--N distance <= 3.2 Angstrom
!   C--O--N angle    >= 120.0 degrees
! input structure file: /home/chxcw/Structure_calc/Triple/Complex/ARIA2/run103/cns/begin/Complex.psf
! input coordinate file: /home/chxcw/Structure_calc/Triple/Complex/ARIA2/run103/structures/refine/Complex_258_water.pdb
! CNS version: 1.2  date: 22-Jan-2010  user: chxcw
{===========================================================}


  assign ( segid "   B" and resid 12 and name O )
         ( segid "   B" and resid 16 and name N ) 2.8 0.4 0.5

  assign ( segid "   B" and resid 13 and name O )
         ( segid "   B" and resid 17 and name N ) 2.8 0.4 0.5

  assign ( segid "   B" and resid 14 and name O )
         ( segid "   B" and resid 18 and name N ) 2.8 0.4 0.5

  assign ( segid "   B" and resid 15 and name O )
         ( segid "   B" and resid 19 and name N ) 2.8 0.4 0.5

  assign ( segid "   B" and resid 16 and name O )
         ( segid "   B" and resid 19 and name N ) 2.8 0.4 0.5

  assign ( segid "   B" and resid 16 and name O )
         ( segid "   B" and resid 20 and name N ) 2.8 0.4 0.5

!  assign ( segid "   B" and resid 18 and name O )
!         ( segid "   B" and resid 21 and name N ) 2.8 0.4 0.5

  assign ( segid "   B" and resid 17 and name O )
         ( segid "   B" and resid 21 and name N ) 2.8 0.4 0.5

  assign ( segid "   B" and resid 43 and name O )
         ( segid "   B" and resid 47 and name N ) 2.8 0.4 0.5

!  assign ( segid "   B" and resid 44 and name O )
!         ( segid "   B" and resid 48 and name N ) 2.8 0.4 0.5

!  assign ( segid "   B" and resid 45 and name O )
!         ( segid "   B" and resid 49 and name N ) 2.8 0.4 0.5

  assign ( segid "   B" and resid 53 and name O )
         ( segid "   B" and resid 56 and name N ) 2.8 0.4 0.5
  
  assign ( segid "   B" and resid 53 and name O )
         ( segid "   B" and resid 57 and name N ) 2.8 0.4 0.5
    
  assign ( segid "   B" and resid 55 and name O )
         ( segid "   B" and resid 59 and name N ) 2.8 0.4 0.5

  assign ( segid "   B" and resid 56 and name O )
         ( segid "   B" and resid 60 and name N ) 2.8 0.4 0.5

{===========================================================}
! mainchain hydrogen bond distance restraints
! automatically generated by script hydrogen_bonds.inp
!      O--N distance <= 3.2 Angstrom
!   C--O--N angle    >= 120.0 degrees
! input structure file: /home/chxcw/Structure_calculations/Triple/run1/begin/Triple.psf
! input coordinate file: triple_hadded_renum.pdb
! CNS version: 1.2  date: 30-Jan-2009  user: chxcw
{===========================================================}

  assign ( segid "   A" and resid 1518 and name O )
         ( segid "   A" and resid 1527 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1525 and name O )
         ( segid "   A" and resid 1520 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1527 and name O )
         ( segid "   A" and resid 1518 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1538 and name O )
         ( segid "   A" and resid 1550 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1540 and name O )
         ( segid "   A" and resid 1548 and name N ) 2.8 0.4 0.5

!  assign ( segid "   A" and resid 1542 and name N )
!         ( segid "   A" and resid 1546 and name O ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1547 and name O )
         ( segid "   A" and resid 1568 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1548 and name O )
         ( segid "   A" and resid 1540 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1549 and name O )
         ( segid "   A" and resid 1566 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1550 and name O )
         ( segid "   A" and resid 1538 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1562 and name O )
         ( segid "   A" and resid 1577 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1564 and name O )
         ( segid "   A" and resid 1551 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1565 and name O )
         ( segid "   A" and resid 1574 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1566 and name O )
         ( segid "   A" and resid 1549 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1575 and name O )
         ( segid "   A" and resid 1564 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1582 and name O )
         ( segid "   A" and resid 1589 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1584 and name O )
         ( segid "   A" and resid 1587 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1587 and name O )
         ( segid "   A" and resid 1584 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1588 and name O )
         ( segid "   A" and resid 1612 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1590 and name O )
         ( segid "   A" and resid 1610 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1592 and name O )
         ( segid "   A" and resid 1608 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1604 and name O )
         ( segid "   A" and resid 1598 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1607 and name O )
         ( segid "   A" and resid 1636 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1608 and name O )
         ( segid "   A" and resid 1592 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1610 and name O )
         ( segid "   A" and resid 1590 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1611 and name O )
         ( segid "   A" and resid 1640 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1612 and name O )
         ( segid "   A" and resid 1588 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1613 and name O )
         ( segid "   A" and resid 1642 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1625 and name O )
         ( segid "   A" and resid 1639 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1628 and name O )
         ( segid "   A" and resid 1637 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1630 and name O )
         ( segid "   A" and resid 1634 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1634 and name O )
         ( segid "   A" and resid 1607 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1635 and name O )
         ( segid "   A" and resid 1630 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1636 and name O )
         ( segid "   A" and resid 1609 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1637 and name O )
         ( segid "   A" and resid 1627 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1638 and name O )
         ( segid "   A" and resid 1611 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1639 and name O )
         ( segid "   A" and resid 1625 and name N ) 2.8 0.4 0.5

  assign ( segid "   A" and resid 1640 and name O )
         ( segid "   A" and resid 1613 and name N ) 2.8 0.4 0.5
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Friday, May 17, 2024 7:06:26 AM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	532238	2l29	17127	cing	1-original	5	XPLOR/CNS	distance	hydrogen bond	simple