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Conformers: ABBIImiBZICOPNSYNN See the J(S)mol wiki for description of applet controls.

©Jiří Černý & Bohdan Schneider

3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE CYTIDINE IN AN 11-MER DUPLEX, SOLUTION STRUCTURE FROM NMR AND MOLECULAR DYNAMICS

Results of the assignment of 18 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 JSmol for analysis of results. Click column headers to sort data.
step numberStep nameCANANtCconfalrmsd
011b60_A_DC1_DG2BBBBB00540.36BB00
021b60_A_DG2_DT3BBBBB00670.29BB00
031b60_A_DT3_DA4BBBBB00680.30BB00
041b60_A_DA4_DC5BBBBB00760.25BB00
051b60_A_DC7_DA8BBBBB00640.29BB00
061b60_A_DA8_DT9BBBBB00770.19BB00
071b60_A_DT9_DG10BBBBB00610.33BB00
081b60_A_DG10_DC11B-ABA01210.32BA01
091b60_B_DG1_DC2BBBBB00470.37BB00
101b60_B_DC2_DA3BBBBB00520.33BB00
111b60_B_DA3_DT4BBBBB00770.21BB00
121b60_B_DT4_DG5BBBBB00470.41BB00
131b60_B_DG5_DC6BBBBB00350.50BB00
141b60_B_DC6_DG7BBBBB00440.59BB00
151b60_B_DG7_DT8BBBBB00650.34BB00
161b60_B_DT8_DA9BBBBB00570.34BB00
171b60_B_DA9_DC10BBBBB00750.23BB00
181b60_B_DC10_DG11BBBBB00650.33BB00

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.
Restraints file for Phenix (steps with RMSD <= 0.5Å)
Restraints file for REFMAC (steps with RMSD <= 0.5Å)
Commands file for MMB (steps with RMSD <= 0.5Å)
Best NtC fitted to input structure.

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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