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Conformers: ABBIImiBZICOPNSYNN
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NMR structure of a synthetic small molecule, rbt158, bound to HIV-1 TAR RNA

Results of the assignment of 28 detected steps in 1 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

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Click a row in table or a step in viewer for analysis of results. Click column headers to sort data.
Define restraints for steps within Å cartesian RMSD, global sigma scaling factor or use per step sigma scaling.
step numberStep nameCANANtCconfalrmsd
011uui_B_G17_G18AAAAA00280.33 AA00
021uui_B_G18_C19AAAAA00700.19 AA00
031uui_B_C19_A20AAAAA00830.29 AA00
041uui_B_A20_G21AAAAA04600.39 AA04
051uui_B_G21_A22NANNANT00.69 AA06
061uui_B_A22_U23NANNANT00.95 IC07
071uui_B_U23_C24NANNANT02.09 OP19
081uui_B_C24_U25NANNANT02.14 OP23
091uui_B_U25_G26NANNANT01.10 BB11
101uui_B_G26_A27AAAAA04520.28 AA04
111uui_B_A27_G28AAAAA00690.30 AA00
121uui_B_G28_C29AAAAA00440.32 AA00
131uui_B_C29_C30NANNANT00.48 AA05
141uui_B_C30_U31NANNANT00.67 AA01
151uui_B_U31_G32NANNANT00.78 OP23
161uui_B_G32_G33NANNANT00.64 OP15
171uui_B_G33_G34NANNANT01.51 AA11
181uui_B_G34_A35NANNANT02.48 OP11
191uui_B_A35_G36NANNANT00.97 OP11
201uui_B_G36_C37AAAAA00680.22 AA00
211uui_B_C37_U38AAwAA10140.26 AA10
221uui_B_U38_C39AAAAA08380.31 AA08
231uui_B_C39_U40AAwAA11240.43 AA11
241uui_B_U40_C41AAAAA00280.46 AA00
251uui_B_C41_U42AAAAA04570.36 AA04
261uui_B_U42_G43AAAAA00480.22 AA00
271uui_B_G43_C44AAAAA00800.17 AA00
281uui_B_C44_C45AAAAA00700.24 AA00

Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.
Definition of torsion angles
step:
Table of conformers

δ1ε1ζ1α2β2γ2δ2χ1χ2μNNCC
step_torsions
ntC_average
Δ torsions
torsion scores

commentsstep confal = NaN
cartesian RMSD = NaN Å
pseudorotation: NA
details: NA
Similarity of step to class averages

Download

Results as csv or json file.
Best NtC fitted to input structure.

Restraints

Restraints file for REFMAC (steps with RMSD <= 0.5Å)
Commands file for MMB (steps with RMSD <= 0.5Å)
Restraints file for Phenix (steps with RMSD <= 0.5Å) [?]

Definitions

Average parameters (csv), esd values (csv), and Cartesian coordinates of conformers.

Download the papers

Description of DNATCO server:
Černý et al., Nucleic Acids Research, 44, W284 (2016).
Definition of conformers:
Schneider et al., Acta Cryst D, 74, 52-64 (2018).
Example of application:
Schneider et al., Genes, 8(10), 278, (2017).

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