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

©Jiří Černý & Bohdan Schneider

A PRE-TRANSITION STATE ECO RI ENDONUCLEASE/COGNATE DNA (TCGCGAPTTCGCG) COMPLEX WITH DNA BASE ANALOG PURINE (P)

Results of the assignment of 12 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
011cl8_B_DT1_DC2NANNANT00.77BB16
021cl8_B_DC2_DG3B-ABA05450.21BA05
031cl8_B_DG3_DC4BBBBB01180.42BB01
041cl8_B_DC4_DG5BBBBB00850.16BB00
051cl8_B_DG5_DA6BBBBB00680.32BB00
061cl8_B_DA6_PRN7BBBBB00470.61BB00
071cl8_B_PRN7_DT8NANNANT00.56BA17
081cl8_B_DT8_DT9A-BAB01390.29AB01
091cl8_B_DT9_DC10BBBBB00820.25BB00
101cl8_B_DC10_DG11B12BB04650.26BB04
111cl8_B_DG11_DC12BBBBB01680.23BB01
121cl8_B_DC12_DG13BBwBB11300.31BB11

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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