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Conformers: ABBIImiBZICOPNSYNN
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BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA IN DUPLEX DNA

Results of the assignment of 16 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
011dxa_A_DG1_DG2BBBBB00710.23 BB00
021dxa_A_DG2_DT3BBBBB00740.25 BB00
031dxa_A_DT3_DC4B-ABA05620.24 BA05
041dxa_A_DC4_DA5NANNANT00.59 BA09
051dxa_A_DA5_DC6NANNANT00.72 AAS1
061dxa_A_DC6_DG7BBBBB00190.54 BB00
071dxa_A_DG7_DA8BBBBB00850.12 BB00
081dxa_A_DA8_DG9BBBBB00880.21 BB00
091dxa_B_DC1_DT2BBBBB00570.34 BB00
101dxa_B_DT2_DC3B-ABA05760.12 BA05
111dxa_B_DC3_DG4A-BAB01130.34 AB01
121dxa_B_DG4_DG5NANNANT00.84 BB03
131dxa_B_DG5_DG6BBBBB01410.23 BB01
141dxa_B_DG6_DA7BBBBB00730.31 BB00
151dxa_B_DA7_DC8BBBBB00690.17 BB00
161dxa_B_DC8_DC9BBBBB00810.23 BB00

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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