NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
567621 |
2mco   |
19448 | cing | 1-original | 5 | XPLOR/CNS | planarity |
!
! KEEPING ATOMS IN SAME BASE IN THE SAME PLANE
!
restraints plane
for $1 in (1 2 3 4 5 6 7 8 9 10 11 12 13 14 15) loop plan
group
selection=(
(not( hydro or name P or name O1P or name O2P or name O5' or name H5T or
name H1' or name H2' or name H3' or name H4' or name H5'
or name H2""" or name H5""" or
name O3' {or name C1'} or name C2' or name C3' or name O2'
or name C4' or name C5' or name O4' or name H3T)
and resid $1 ))
weight=5.0
end
end loop plan
for $1 in (16 17 18 19 20 21 22) loop plan
group
selection=(
(not( hydro or name P or name O1P or name O2P or name O5' or name
H5T or
name H1' or name H2' or name H3' or name H4' or name H5'
or name H2""" or name H5""" or
name O3' {or name C1'} or name C2' or name C3' or name O2'
or name C4' or name C5' or name O4' or name H3T)
and resid $1 ))
weight=5.0
end
end loop plan
!
! KEEPING EACH TETRAD PLANAR
!
! BASES 2 10 22 14
group
selection=(
(not( hydro or name P or name O1P or name O2P or name O5' or name H5T or
name H1' or name H2' or name H3' or name H4' or name H5'
or name H2""" or name H5""" or
name O3' {or name C1'} or name C2' or name C3' or name O2'
or name C4' or name C5' or name O4' or name H3T)
and resid 2 )
or (not( hydro or name P or name O1P or name O2P or name O5' or name H5T or name
H1' or name H2' or name H3' or name H4' or name H5' or name H2""" or name H5""" or
name O3' {or name C1'} or name C2' or name C3' or name O2'
or name C4' or name C5' or name O4' or name H3T)
and resid 10 )
or (not( hydro or name P or name O1P or name O2P or name O5' or name H5T or
name H1' or name H2' or name H3' or name H4' or name H5'
or name H2""" or name H5""" or
name O3' {or name C1'} or name C2' or name C3' or name O2'
or name C4' or name C5' or name O4' or name H3T)
and resid 22 )
or (not( hydro or name P or name O1P or name O2P or name O5' or name H5T or
name H1' or name H2' or name H3' or name H4' or name H5'
or name H2""" or name H5""" or
name O3' {or name C1'} or name C2' or name C3' or name O2'
or name C4' or name C5' or name O4' or name H3T)
and resid 14 ))
weight=10.0
end
! BASES 3 9 21 15
group
selection=(
(not( hydro or name P or name O1P or name O2P or name O5' or name H5T or
name H1' or name H2' or name H3' or name H4' or name H5'
or name H2""" or name H5""" or
name O3' {or name C1'} or name C2' or name C3' or name O2'
or name C4' or name C5' or name O4' or name H3T)
and resid 3 )
or (not( hydro or name P or name O1P or name O2P or name O5' or name H5T or
name H1' or name H2' or name H3' or name H4' or name H5'
or name H2""" or name H5""" or
name O3' {or name C1'} or name C2' or name C3' or name O2'
or name C4' or name C5' or name O4' or name H3T)
and resid 9 )
or (not( hydro or name P or name O1P or name O2P or name O5' or name H5T or
name H1' or name H2' or name H3' or name H4' or name H5'
or name H2""" or name H5""" or
name O3' {or name C1'} or name C2' or name C3' or name O2'
or name C4' or name C5' or name O4' or name H3T)
and resid 21 )
or (not( hydro or name P or name O1P or name O2P or name O5' or name H5T or
name H1' or name H2' or name H3' or name H4' or name H5'
or name H2""" or name H5""" or
name O3' {or name C1'} or name C2' or name C3' or name O2'
or name C4' or name C5' or name O4' or name H3T)
and resid 15 ))
weight=10.0
end
! 4 8 20 16
group
selection=(
(not( hydro or name P or name O1P or name O2P or name O5' or name H5T or
name H1' or name H2' or name H3' or name H4' or name H5'
or name H2""" or name H5""" or
name O3' {or name C1'} or name C2' or name C3' or name O2'
or name C4' or name C5' or name O4' or name H3T)
and resid 4 )
or (not( hydro or name P or name O1P or name O2P or name O5' or name H5T or
name H1' or name H2' or name H3' or name H4' or name H5'
or name H2""" or name H5""" or
name O3' {or name C1'} or name C2' or name C3' or name O2'
or name C4' or name C5' or name O4' or name H3T)
and resid 8 )
or (not( hydro or name P or name O1P or name O2P or name O5' or name H5T or
name H1' or name H2' or name H3' or name H4' or name H5'
or name H2""" or name H5""" or
name O3' {or name C1'} or name C2' or name C3' or name O2'
or name C4' or name C5' or name O4' or name H3T)
and resid 20 )
or (not( hydro or name P or name O1P or name O2P or name O5' or name H5T or
name H1' or name H2' or name H3' or name H4' or name H5'
or name H2""" or name H5""" or
name O3' {or name C1'} or name C2' or name C3' or name O2'
or name C4' or name C5' or name O4' or name H3T)
and resid 16 ))
weight=10.0
end
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