NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
577875 |
2mh6   |
19620 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!------------------------------------------------------------------------------------------
! XL-IT cross-linked DNA duplex (constraints for CNS)
!------------------------------------------------------------------------------------------
!NOE DISTANCE CONSTRAINTS
!intrasugar
!H1'-H2'
assign (segid A and resid 1 and name h1') (segid A and resid 1 and name h2') 3.1 0.3 0.3
assign (segid A and resid 2 and name h1') (segid A and resid 2 and name h2') 2.8 0.3 0.3
assign (segid A and resid 3 and name h1') (segid A and resid 3 and name h2') 2.9 0.3 0.3
assign (segid A and resid 4 and name h1') (segid A and resid 4 and name h2') 3.0 0.3 0.3
assign (segid A and resid 5 and name h1') (segid A and resid 5 and name h2') 2.9 0.3 0.3
assign (segid A and resid 6 and name h1') (segid A and resid 6 and name h2') 3.1 0.3 0.3
assign (segid A and resid 7 and name h1') (segid A and resid 7 and name h2') 2.9 0.3 0.3
assign (segid A and resid 8 and name h1') (segid A and resid 8 and name h2') 3.1 0.3 0.3
assign (segid B and resid 9 and name h1') (segid B and resid 9 and name h2') 3.1 0.3 0.3
assign (segid B and resid 11 and name h1') (segid B and resid 11 and name h2') 2.8 0.3 0.3
assign (segid B and resid 12 and name h1') (segid B and resid 12 and name h2') 2.8 0.3 0.3
assign (segid B and resid 13 and name h1') (segid B and resid 13 and name h2') 2.8 0.3 0.3
assign (segid B and resid 14 and name h1') (segid B and resid 14 and name h2') 2.8 0.3 0.3
assign (segid B and resid 15 and name h1') (segid B and resid 15 and name h2') 2.8 0.3 0.3
assign (segid B and resid 16 and name h1') (segid B and resid 16 and name h2') 2.9 0.3 0.3
!H1'-H2"
assign (segid A and resid 1 and name h1') (segid A and resid 1 and name h2'') 2.5 0.2 0.2
assign (segid A and resid 2 and name h1') (segid A and resid 2 and name h2'') 2.4 0.2 0.2
assign (segid A and resid 3 and name h1') (segid A and resid 3 and name h2'') 2.4 0.2 0.2
assign (segid A and resid 4 and name h1') (segid A and resid 4 and name h2'') 2.4 0.2 0.2
assign (segid A and resid 5 and name h1') (segid A and resid 5 and name h2'') 2.4 0.2 0.2
assign (segid A and resid 6 and name h1') (segid A and resid 6 and name h2'') 2.4 0.2 0.2
assign (segid A and resid 7 and name h1') (segid A and resid 7 and name h2'') 2.4 0.2 0.2
assign (segid A and resid 8 and name h1') (segid A and resid 8 and name h2'') 2.5 0.2 0.2
assign (segid B and resid 9 and name h1') (segid B and resid 9 and name h2'') 2.5 0.2 0.2
assign (segid B and resid 10 and name h1') (segid B and resid 10 and name h2'') 2.3 0.2 0.2
assign (segid B and resid 11 and name h1') (segid B and resid 11 and name h2'') 2.4 0.2 0.2
assign (segid B and resid 12 and name h1') (segid B and resid 12 and name h2'') 2.4 0.2 0.2
assign (segid B and resid 13 and name h1') (segid B and resid 13 and name h2'') 2.4 0.2 0.2
assign (segid B and resid 14 and name h1') (segid B and resid 14 and name h2'') 2.3 0.2 0.2
assign (segid B and resid 15 and name h1') (segid B and resid 15 and name h2'') 2.3 0.2 0.2
assign (segid B and resid 16 and name h1') (segid B and resid 16 and name h2'') 2.4 0.2 0.2
!H1'-H4'
assign (segid A and resid 1 and name h1') (segid A and resid 1 and name h4') 3.4 0.3 0.5
assign (segid A and resid 2 and name h1') (segid A and resid 2 and name h4') 3.1 0.3 0.5
assign (segid A and resid 3 and name h1') (segid A and resid 3 and name h4') 3.0 0.3 0.5
assign (segid A and resid 4 and name h1') (segid A and resid 4 and name h4') 2.8 0.3 0.5
assign (segid A and resid 5 and name h1') (segid A and resid 5 and name h4') 3.0 0.3 0.5
assign (segid A and resid 6 and name h1') (segid A and resid 6 and name h4') 2.9 0.3 0.5
assign (segid A and resid 7 and name h1') (segid A and resid 7 and name h4') 2.9 0.3 0.5
assign (segid A and resid 8 and name h1') (segid A and resid 8 and name h4') 3.4 0.3 0.5
assign (segid B and resid 9 and name h1') (segid B and resid 9 and name h4') 3.4 0.3 0.5
assign (segid B and resid 10 and name h1') (segid B and resid 10 and name h4') 3.3 0.3 0.5
assign (segid B and resid 11 and name h1') (segid B and resid 11 and name h4') 3.1 0.3 0.5
assign (segid B and resid 12 and name h1') (segid B and resid 12 and name h4') 3.2 0.3 0.5
assign (segid B and resid 13 and name h1') (segid B and resid 13 and name h4') 3.2 0.3 0.5
assign (segid B and resid 14 and name h1') (segid B and resid 14 and name h4') 2.8 0.3 0.5
assign (segid B and resid 15 and name h1') (segid B and resid 15 and name h4') 2.9 0.3 0.5
assign (segid B and resid 16 and name h1') (segid B and resid 16 and name h4') 3.1 0.3 0.5
!intraresidual base-to-sugar
!H1'-H6/H8
assign (segid A and resid 1 and name h1') (segid A and resid 1 and name h6) 3.3 0.3 0.5
assign (segid A and resid 2 and name h1') (segid A and resid 2 and name h8) 3.3 0.3 0.5
assign (segid A and resid 3 and name h1') (segid A and resid 3 and name h8) 3.4 0.3 0.5
assign (segid A and resid 4 and name h1') (segid A and resid 4 and name h6) 3.5 0.3 0.5
assign (segid A and resid 5 and name h1') (segid A and resid 5 and name h6) 3.3 0.3 0.5
assign (segid A and resid 6 and name h1') (segid A and resid 6 and name h6) 3.5 0.3 0.5
assign (segid A and resid 7 and name h1') (segid A and resid 7 and name h6) 3.5 0.3 0.5
assign (segid A and resid 8 and name h1') (segid A and resid 8 and name h8) 3.5 0.3 0.5
assign (segid B and resid 9 and name h1') (segid B and resid 9 and name h6) 3.4 0.3 0.5
assign (segid B and resid 10 and name h1') (segid B and resid 10 and name h8) 3.5 0.3 0.5
assign (segid B and resid 11 and name h1') (segid B and resid 11 and name h8) 3.4 0.3 0.5
assign (segid B and resid 12 and name h1') (segid B and resid 12 and name h8) 3.5 0.3 0.5
assign (segid B and resid 13 and name h1') (segid B and resid 13 and name h8) 3.5 0.3 0.5
assign (segid B and resid 14 and name h1') (segid B and resid 14 and name h6) 3.5 0.3 0.5
assign (segid B and resid 15 and name h1') (segid B and resid 15 and name h6) 3.3 0.3 0.5
assign (segid B and resid 16 and name h1') (segid B and resid 16 and name h8) 3.5 0.3 0.5
!H2'-H6/H8
assign (segid A and resid 1 and name h2') (segid A and resid 1 and name h6) 2.5 0.2 0.3
assign (segid A and resid 2 and name h2') (segid A and resid 2 and name h8) 2.3 0.2 0.3
assign (segid A and resid 3 and name h2') (segid A and resid 3 and name h8) 2.4 0.2 0.3
assign (segid A and resid 4 and name h2') (segid A and resid 4 and name h6) 2.4 0.2 0.3
assign (segid A and resid 5 and name h2') (segid A and resid 5 and name h6) 2.3 0.2 0.3
assign (segid A and resid 6 and name h2') (segid A and resid 6 and name h6) 2.3 0.2 0.3
assign (segid A and resid 7 and name h2') (segid A and resid 7 and name h6) 2.3 0.2 0.3
assign (segid A and resid 8 and name h2') (segid A and resid 8 and name h8) 2.5 0.2 0.3
assign (segid B and resid 9 and name h2') (segid B and resid 9 and name h6) 2.5 0.2 0.3
assign (segid B and resid 10 and name h2') (segid B and resid 10 and name h8) 2.4 0.2 0.3
assign (segid B and resid 11 and name h2') (segid B and resid 11 and name h8) 2.3 0.2 0.3
assign (segid B and resid 12 and name h2') (segid B and resid 12 and name h8) 2.3 0.2 0.3
assign (segid B and resid 13 and name h2') (segid B and resid 13 and name h8) 2.3 0.2 0.3
assign (segid B and resid 14 and name h2') (segid B and resid 14 and name h6) 2.5 0.2 0.3
assign (segid B and resid 15 and name h2') (segid B and resid 15 and name h6) 2.3 0.2 0.3
assign (segid B and resid 16 and name h2') (segid B and resid 16 and name h8) 2.3 0.2 0.3
!H2''-H6/H8
assign (segid A and resid 1 and name h2'') (segid A and resid 1 and name h6) 3.4 0.3 0.5
assign (segid A and resid 2 and name h2'') (segid A and resid 2 and name h8) 2.8 0.3 0.5
assign (segid A and resid 3 and name h2'') (segid A and resid 3 and name h8) 3.1 0.3 0.5
assign (segid A and resid 4 and name h2'') (segid A and resid 4 and name h6) 3.1 0.3 0.5
assign (segid A and resid 6 and name h2'') (segid A and resid 6 and name h6) 3.2 0.3 0.5
assign (segid A and resid 7 and name h2'') (segid A and resid 7 and name h6) 3.2 0.3 0.5
assign (segid A and resid 8 and name h2'') (segid A and resid 8 and name h8) 3.6 0.5 0.7
assign (segid B and resid 9 and name h2'') (segid B and resid 9 and name h6) 3.2 0.3 0.5
assign (segid B and resid 11 and name h2'') (segid B and resid 11 and name h8) 2.8 0.3 0.5
assign (segid B and resid 12 and name h2'') (segid B and resid 12 and name h8) 2.8 0.3 0.5
assign (segid B and resid 13 and name h2'') (segid B and resid 13 and name h8) 3.0 0.3 0.5
assign (segid B and resid 14 and name h2'') (segid B and resid 14 and name h6) 3.3 0.3 0.5
assign (segid B and resid 15 and name h2'') (segid B and resid 15 and name h6) 2.8 0.3 0.5
assign (segid B and resid 16 and name h2'') (segid B and resid 16 and name h8) 2.8 0.3 0.5
!H3'-H6/H8
assign (segid A and resid 1 and name h3') (segid A and resid 1 and name h6) 3.5 0.5 0.7
assign (segid A and resid 2 and name h3') (segid A and resid 2 and name h8) 3.3 0.5 0.7
assign (segid A and resid 3 and name h3') (segid A and resid 3 and name h8) 3.3 0.5 0.7
assign (segid A and resid 4 and name h3') (segid A and resid 4 and name h6) 3.2 0.5 0.7
assign (segid A and resid 5 and name h3') (segid A and resid 5 and name h6) 3.1 0.5 0.7
assign (segid A and resid 6 and name h3') (segid A and resid 6 and name h6) 3.1 0.5 0.7
assign (segid A and resid 7 and name h3') (segid A and resid 7 and name h6) 3.1 0.5 0.7
assign (segid A and resid 8 and name h3') (segid A and resid 8 and name h8) 3.1 0.5 0.7
assign (segid B and resid 9 and name h3') (segid B and resid 9 and name h6) 3.5 0.5 0.7
assign (segid B and resid 10 and name h3') (segid B and resid 10 and name h8) 3.3 0.5 0.7
assign (segid B and resid 11 and name h3') (segid B and resid 11 and name h8) 3.4 0.5 0.7
assign (segid B and resid 12 and name h3') (segid B and resid 12 and name h8) 3.3 0.5 0.7
assign (segid B and resid 13 and name h3') (segid B and resid 13 and name h8) 3.1 0.5 0.7
assign (segid B and resid 14 and name h3') (segid B and resid 14 and name h6) 3.1 0.5 0.7
assign (segid B and resid 15 and name h3') (segid B and resid 15 and name h6) 3.1 0.5 0.7
assign (segid B and resid 16 and name h3') (segid B and resid 16 and name h8) 3.3 0.5 0.7
!sequential
!H1'-H6/H8
assign (segid A and resid 1 and name h1') (segid A and resid 2 and name h8) 4.0 0.5 0.7
assign (segid A and resid 2 and name h1') (segid A and resid 3 and name h8) 3.3 0.3 0.5
assign (segid A and resid 3 and name h1') (segid A and resid 4 and name h6) 3.5 0.5 0.7
assign (segid A and resid 4 and name h1') (segid A and resid 5 and name h6) 3.8 0.5 0.7
assign (segid A and resid 5 and name h1') (segid A and resid 6 and name h6) 3.5 0.5 0.7
assign (segid A and resid 6 and name h1') (segid A and resid 7 and name h6) 3.8 0.5 0.7
assign (segid A and resid 7 and name h1') (segid A and resid 8 and name h8) 4.0 0.5 0.7
assign (segid B and resid 10 and name h1') (segid B and resid 11 and name h8) 3.4 0.5 0.7
assign (segid B and resid 11 and name h1') (segid B and resid 12 and name h8) 3.4 0.5 0.7
assign (segid B and resid 12 and name h1') (segid B and resid 13 and name h8) 3.6 0.5 0.7
assign (segid B and resid 13 and name h1') (segid B and resid 14 and name h6) 3.1 0.3 0.5
assign (segid B and resid 14 and name h1') (segid B and resid 15 and name h6) 4.0 0.5 0.7
assign (segid B and resid 15 and name h1') (segid B and resid 16 and name h8) 4.0 0.5 0.7
!H2'-H6/H8
assign (segid A and resid 1 and name h2') (segid A and resid 2 and name h8) 3.3 0.3 0.5
assign (segid A and resid 2 and name h2') (segid A and resid 3 and name h8) 3.2 0.3 0.5
assign (segid A and resid 3 and name h2') (segid A and resid 4 and name h6) 3.1 0.3 0.5
assign (segid A and resid 4 and name h2') (segid A and resid 5 and name h6) 2.9 0.3 0.5
assign (segid A and resid 5 and name h2') (segid A and resid 6 and name h6) 3.0 0.3 0.5
assign (segid A and resid 6 and name h2') (segid A and resid 7 and name h6) 3.2 0.3 0.5
assign (segid B and resid 10 and name h2') (segid B and resid 11 and name h8) 3.3 0.3 0.5
assign (segid B and resid 12 and name h2') (segid B and resid 13 and name h8) 3.4 0.3 0.5
assign (segid B and resid 13 and name h2') (segid B and resid 14 and name h6) 3.3 0.3 0.5
assign (segid B and resid 14 and name h2') (segid B and resid 15 and name h6) 3.0 0.3 0.5
assign (segid B and resid 15 and name h2') (segid B and resid 16 and name h8) 3.4 0.3 0.5
!H2''-H6/H8
assign (segid A and resid 1 and name h2'') (segid A and resid 2 and name h8) 3.4 0.3 0.5
assign (segid A and resid 2 and name h2'') (segid A and resid 3 and name h8) 2.8 0.3 0.5
assign (segid A and resid 3 and name h2'') (segid A and resid 4 and name h6) 2.8 0.3 0.5
assign (segid A and resid 4 and name h2'') (segid A and resid 5 and name h6) 3.0 0.5 0.7
assign (segid A and resid 5 and name h2'') (segid A and resid 6 and name h6) 2.8 0.3 0.5
assign (segid A and resid 6 and name h2'') (segid A and resid 7 and name h6) 3.2 0.3 0.5
assign (segid A and resid 7 and name h2'') (segid A and resid 8 and name h8) 3.4 0.3 0.5
assign (segid B and resid 9 and name h2'') (segid B and resid 10 and name h8) 3.8 0.5 0.7
assign (segid B and resid 10 and name h2'') (segid B and resid 11 and name h8) 3.3 0.3 0.5
assign (segid B and resid 11 and name h2'') (segid B and resid 12 and name h8) 3.2 0.3 0.5
assign (segid B and resid 13 and name h2'') (segid B and resid 14 and name h6) 2.7 0.3 0.5
assign (segid B and resid 14 and name h2'') (segid B and resid 15 and name h6) 2.9 0.3 0.5
!H3'-H6/H8
assign (segid A and resid 2 and name h3') (segid A and resid 3 and name h8) 4.1 0.7 1.0
assign (segid A and resid 3 and name h3') (segid A and resid 4 and name h6) 3.8 0.5 0.7
assign (segid A and resid 4 and name h3') (segid A and resid 5 and name h6) 3.8 0.5 0.7
assign (segid A and resid 5 and name h3') (segid A and resid 6 and name h6) 4.0 0.5 0.7
assign (segid A and resid 7 and name h3') (segid A and resid 8 and name h8) 4.1 0.7 1.0
assign (segid B and resid 9 and name h3') (segid B and resid 10 and name h8) 4.0 0.5 0.7
assign (segid B and resid 10 and name h3') (segid B and resid 11 and name h8) 4.3 0.7 1.0
assign (segid B and resid 11 and name h3') (segid B and resid 12 and name h8) 4.2 0.7 1.0
assign (segid B and resid 13 and name h3') (segid B and resid 14 and name h6) 4.0 0.5 0.7
assign (segid B and resid 14 and name h3') (segid B and resid 15 and name h6) 3.8 0.5 0.7
assign (segid B and resid 15 and name h3') (segid B and resid 16 and name h8) 4.1 0.7 1.0
!other
assign (segid B and resid 12 and name h2) (segid A and resid 6 and name h1') 3.5 0.5 0.7
assign (segid B and resid 13 and name h2) (segid A and resid 5 and name h1') 5.0 0.5 1.0
assign (segid A and resid 2 and name h2) (segid B and resid 16 and name h1') 5.0 0.5 1.0
assign (segid B and resid 14 and name h6) (segid B and resid 15 and name h6) 4.2 0.7 1.0
assign (segid B and resid 13 and name h8) (segid B and resid 14 and name h6) 4.1 0.7 1.0
assign (segid A and resid 3 and name h8) (segid A and resid 4 and name h6) 4.1 0.7 1.0
assign (segid A and resid 4 and name h6) (segid A and resid 5 and name h6) 3.9 0.5 0.7
assign (segid A and resid 6 and name h5) (segid A and resid 5 and name h6) 3.6 0.5 0.7
assign (segid B and resid 14 and name h5) (segid B and resid 13 and name h8) 3.6 0.5 0.7
assign (segid A and resid 2 and name h2) (segid A and resid 2 and name h1') 4.2 0.7 1.0
assign (segid B and resid 12 and name h2) (segid B and resid 12 and name h1') 4.1 0.7 1.0
assign (segid B and resid 13 and name h2) (segid B and resid 14 and name h1') 3.8 0.5 0.7
assign (segid A and resid 2 and name h2) (segid A and resid 3 and name h1') 4.0 0.5 0.7
assign (segid A and resid 6 and name h5) (segid A and resid 5 and name h2') 3.5 0.5 0.7
assign (segid A and resid 6 and name h5) (segid A and resid 5 and name h2'') 3.4 0.5 0.7
assign (segid A and resid 7 and name h5) (segid A and resid 6 and name h2') 3.4 0.5 0.7
assign (segid A and resid 7 and name h5) (segid A and resid 6 and name h2'') 3.7 0.5 0.7
assign (segid B and resid 14 and name h5) (segid B and resid 13 and name h2') 3.5 0.5 0.7
assign (segid B and resid 14 and name h5) (segid B and resid 13 and name h2'') 3.5 0.5 0.7
assign (segid A and resid 4 and name h7#) (segid A and resid 3 and name h1') 4.2 0.7 1.0
assign (segid A and resid 4 and name h7#) (segid A and resid 3 and name h2') 3.5 0.5 0.7
assign (segid A and resid 4 and name h7#) (segid A and resid 3 and name h2'') 3.5 0.5 0.7
assign (segid A and resid 4 and name h7#) (segid A and resid 3 and name h8) 3.2 0.3 0.5
assign (segid A and resid 5 and name h7#) (segid A and resid 4 and name h1') 4.3 0.7 1.0
assign (segid A and resid 5 and name h7#) (segid A and resid 4 and name h2'') 3.4 0.5 0.7
assign (segid A and resid 5 and name h7#) (segid A and resid 4 and name h6) 3.2 0.3 0.5
assign (segid A and resid 5 and name h7#) (segid A and resid 6 and name h5) 4.2 0.7 1.0
assign (segid B and resid 15 and name h7#) (segid B and resid 14 and name h1') 4.2 0.7 1.0
assign (segid B and resid 15 and name h7#) (segid B and resid 14 and name h2'') 4.0 0.5 0.7
assign (segid B and resid 15 and name h7#) (segid B and resid 14 and name h6) 3.4 0.5 0.7
assign (segid B and resid 15 and name h7#) (segid B and resid 14 and name h5) 3.5 0.5 0.7
!linker
assign (segid B and resid 13 and name h1#) (segid B and resid 12 and name h2) 3.8 0.5 0.7
assign (segid A and resid 4 and name h1#) (segid B and resid 13 and name h2) 2.9 0.3 0.5
assign (segid B and resid 13 and name h1#) (segid B and resid 13 and name h2) 2.3 0.3 0.5
!with imino protons
assign (segid A and resid 4 and name h1#) (segid A and resid 3 and name h1) 2.9 0.5 0.7
assign (segid B and resid 13 and name h1#) (segid A and resid 5 and name h3) 3.2 0.5 0.7
assign (segid A and resid 3 and name h1) (segid A and resid 2 and name h2) 4.3 0.7 1.0
assign (segid A and resid 3 and name h1) (segid B and resid 13 and name h2) 3.9 0.7 1.0
assign (segid A and resid 5 and name h3) (segid B and resid 13 and name h2) 3.7 0.7 1.0
assign (segid B and resid 11 and name h1) (segid B and resid 12 and name h2) 3.5 0.7 1.0
assign (segid B and resid 10 and name h1) (segid A and resid 8 and name h2) 3.7 0.7 1.0
!------------------------------------------------------------------------------------------
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