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Conformers: ABBIImiBZICOPNSYNN
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NMR structure of a synthetic small molecule, rbt203, 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
011uud_B_G17_G18AAAAA00470.26 AA00
021uud_B_G18_C19AAAAA00500.24 AA00
031uud_B_C19_A20AAAAA00600.37 AA00
041uud_B_A20_G21AAAAA04380.43 AA04
051uud_B_G21_A22NANNANT00.73 AA11
061uud_B_A22_U23NANNANT00.34 IC02
071uud_B_U23_C24NANNANT01.98 OP19
081uud_B_C24_U25NANNANT02.07 OP23
091uud_B_U25_G26NANNANT01.36 OP12
101uud_B_G26_A27AAwAA06140.21 AA06
111uud_B_A27_G28AAAAA00380.35 AA00
121uud_B_G28_C29AAAAA00110.38 AA00
131uud_B_C29_C30NANNANT00.89 AA04
141uud_B_C30_U31NANNANT01.00 IC04
151uud_B_U31_G32NANNANT01.13 OP23
161uud_B_G32_G33NANNANT02.19 OP18
171uud_B_G33_G34NANNANT01.27 OP08
181uud_B_G34_A35NANNANT01.04 BA10
191uud_B_A35_G36NANNANT00.69 AB02
201uud_B_G36_C37AAAAA04630.47 AA04
211uud_B_C37_U38AAwAA10130.36 AA10
221uud_B_U38_C39NANNANT00.56 AA10
231uud_B_C39_U40AAwAA11240.60 AA11
241uud_B_U40_C41AAAAA04580.39 AA04
251uud_B_C41_U42AAAAA00140.46 AA00
261uud_B_U42_G43AAAAA00340.28 AA00
271uud_B_G43_C44AAAAA00740.20 AA00
281uud_B_C44_C45AAAAA00540.28 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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