NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
645065 |
6k3y   |
cing | 1-original | 1 | XPLOR/CNS | dihedral angle |
# Restraints file 1: submit-dihe.tbl
set message=off echo=on end
restraints dihedral reset
!chi
assi (resi 3 and name O4' and segi DNA1)
(resi 3 and name C1' and segi DNA1)
(resi 3 and name N9 and segi DNA1)
(resi 3 and name C4 and segi DNA1) 1.0 240.0 70.0 2
assi (resi 4 and name O4' and segi DNA1)
(resi 4 and name C1' and segi DNA1)
(resi 4 and name N9 and segi DNA1)
(resi 4 and name C4 and segi DNA1) 1.0 240.0 70.0 2
assi (resi 6 and name O4' and segi DNA1)
(resi 6 and name C1' and segi DNA1)
(resi 6 and name N9 and segi DNA1)
(resi 6 and name C4 and segi DNA1) 1.0 240.0 70.0 2
assi (resi 7 and name O4' and segi DNA1)
(resi 7 and name C1' and segi DNA1)
(resi 7 and name N9 and segi DNA1)
(resi 7 and name C4 and segi DNA1) 1.0 240.0 40.0 2
assi (resi 8 and name O4' and segi DNA1)
(resi 8 and name C1' and segi DNA1)
(resi 8 and name N9 and segi DNA1)
(resi 8 and name C4 and segi DNA1) 1.0 240.0 70.0 2
assi (resi 10 and name O4' and segi DNA1)
(resi 10 and name C1' and segi DNA1)
(resi 10 and name N9 and segi DNA1)
(resi 10 and name C4 and segi DNA1) 1.0 240.0 70.0 2
assi (resi 11 and name O4' and segi DNA1)
(resi 11 and name C1' and segi DNA1)
(resi 11 and name N9 and segi DNA1)
(resi 11 and name C4 and segi DNA1) 1.0 240.0 40.0 2
assi (resi 12 and name O4' and segi DNA1)
(resi 12 and name C1' and segi DNA1)
(resi 12 and name N9 and segi DNA1)
(resi 12 and name C4 and segi DNA1) 1.0 240.0 70.0 2
assi (resi 14 and name O4' and segi DNA1)
(resi 14 and name C1' and segi DNA1)
(resi 14 and name N9 and segi DNA1)
(resi 14 and name C4 and segi DNA1) 1.0 240.0 70.0 2
assi (resi 15 and name O4' and segi DNA1)
(resi 15 and name C1' and segi DNA1)
(resi 15 and name N9 and segi DNA1)
(resi 15 and name C4 and segi DNA1) 1.0 240.0 40.0 2
assi (resi 16 and name O4' and segi DNA1)
(resi 16 and name C1' and segi DNA1)
(resi 16 and name N9 and segi DNA1)
(resi 16 and name C4 and segi DNA1) 1.0 240.0 70.0 2
!assi (resi 1 and name OAX and segi DNA2)
! (resi 1 and name CBO and segi DNA2)
! (resi 1 and name NBQ and segi DNA2)
! (resi 1 and name CBG and segi DNA2) 2.0 240.0 70.0 2
!dihedral angles for 4BW from crystal structure
assi (resi 1 and name O3' and segi DNA2)
(resi 1 and name PBR and segi DNA2)
(resi 1 and name OAV and segi DNA2)
(resi 1 and name CAN and segi DNA2) 1.0 50.4 30.0 2
assi (resi 1 and name PBR and segi DNA2)
(resi 1 and name OAV and segi DNA2)
(resi 1 and name CAN and segi DNA2)
(resi 1 and name CBK and segi DNA2) 1.0 -166.4 20.0 2
assi (resi 1 and name OAV and segi DNA2)
(resi 1 and name CAN and segi DNA2)
(resi 1 and name CBK and segi DNA2)
(resi 1 and name CBM and segi DNA2) 1.0 76.0 40.0 2
assi (resi 1 and name CAN and segi DNA2)
(resi 1 and name CBK and segi DNA2)
(resi 1 and name CBM and segi DNA2)
(resi 1 and name OAZ and segi DNA2) 1.0 87.6 20.0 2
assi (resi 1 and name CBK and segi DNA2)
(resi 1 and name CBM and segi DNA2)
(resi 1 and name OAZ and segi DNA2)
(resi 1 and name PBS and segi DNA2) 1.0 -145.7 40.0 2
assi (resi 1 and name CBM and segi DNA2)
(resi 1 and name OAZ and segi DNA2)
(resi 1 and name PBS and segi DNA2)
(resi 1 and name O5' and segi DNA2) 1.0 54.2 40.0 2
assi (resi 1 and name OAZ and segi DNA2)
(resi 1 and name PBS and segi DNA2)
(resi 1 and name O5' and segi DNA2)
(resi 1 and name C5' and segi DNA2) 1.0 62.3 60.0 2
assi (resi 1 and name PBS and segi DNA2)
(resi 1 and name O5' and segi DNA2)
(resi 1 and name C5' and segi DNA2)
(resi 1 and name C4' and segi DNA2) 1.0 -168.7 20.0 2
assi (resi 1 and name O5' and segi DNA2)
(resi 1 and name C5' and segi DNA2)
(resi 1 and name C4' and segi DNA2)
(resi 1 and name C3' and segi DNA2) 1.0 72.0 20.0 2
assi (resi 1 and name C5' and segi DNA2)
(resi 1 and name C4' and segi DNA2)
(resi 1 and name C3' and segi DNA2)
(resi 1 and name O3' and segi DNA2) 1.0 86.3 20.0 2
assi (resi 1 and name C4' and segi DNA2)
(resi 1 and name C3' and segi DNA2)
(resi 1 and name O3' and segi DNA2)
(resi 1 and name PBR and segi DNA2) 1.0 -156.7 20.0 2
assi (resi 1 and name C3' and segi DNA2)
(resi 1 and name O3' and segi DNA2)
(resi 1 and name PBR and segi DNA2)
(resi 1 and name OAV and segi DNA2) 1.0 62.2 20.0 2
end
set message=on echo=on end
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