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

©Jiří Černý & Bohdan Schneider

Base pairing mechanism of N2,3-ethenoguanine with dTTP by human polymerase iota

Results of the assignment of 11 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
014fs1_B_DA7_DG8B-ABA08700.44BA08
024fs1_B_DG8_DG9BBBBB01420.17BB01
034fs1_B_DG9_DA10B-ABA01330.34BA01
044fs1_B_DA10_DC11AAAAA00480.31AA00
054fs1_B_DC11_DC12AAAAA00640.22AA00
064fs1_C_DG841_DG842B-ABA09790.17BA09
074fs1_C_DG842_DG843AAwAA01480.28AA01
084fs1_C_DG843_DT844NANNANT00.36AB04
094fs1_C_DT844_DC845A-BAB03400.25AB03
104fs1_C_DC845_DC846BBBBB00380.27BB00
114fs1_C_DC846_DT847NANNANT00.30BB02

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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