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

©Jiří Černý & Bohdan Schneider

Crystal structure of the A-DNA GCGTAT*CGC with a 2'-O-allyl Thymidine (T*)

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
011y9f_A_DG1_DC2AAAAA00620.22AA00
021y9f_A_DC2_DG3AAwAA01950.08AA01
031y9f_A_DG3_DT4AAAAA00270.34AA00
041y9f_A_DT4_DA5AAwAA01820.24AA01
051y9f_A_DA5_2AT6AAAAA00910.12AA00
061y9f_A_2AT6_DA7AAAAA00900.12AA00
071y9f_A_DA7_DC8AAAAA00930.12AA00
081y9f_A_DC8_DG9AAAAA00880.17AA00
091y9f_A_DG9_DC10AAAAA00900.18AA00
101y9f_B_DG11_DC12AAAAA00850.14AA00
111y9f_B_DC12_DG13AAAAA00840.22AA00
121y9f_B_DG13_DT14AAAAA00860.19AA00
131y9f_B_DT14_DA15AAAAA00820.14AA00
141y9f_B_DA15_2AT16AAAAA00900.14AA00
151y9f_B_2AT16_DA17AAAAA00830.16AA00
161y9f_B_DA17_DC18AAAAA00770.23AA00
171y9f_B_DC18_DG19AAAAA00460.23AA00
181y9f_B_DG19_DC20AAAAA00790.21AA00

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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