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Conformers: ABBIImiBZICOPNSYNN See the J(S)mol wiki for description of applet controls.
Structure of the AvrBs3-DNA complex provides new insights into the initial thymine-recognition mechanism

Results of the assignment of 41 detected steps in 1 model(s), can be also downloaded as csv 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
012ypf_B_DT-2_DT-1miBBB15810.39BB15
022ypf_B_DT-1_DT0BBBBB00750.22BB00
032ypf_B_DT0_DA1BBBBB01920.12BB01
042ypf_B_DA1_DT2BBBBB01470.25BB01
052ypf_B_DT2_DA3BBBBB01820.14BB01
062ypf_B_DA3_DT4BBBBB01610.29BB01
072ypf_B_DT4_DA5A-BAB03830.42AB03
082ypf_B_DA5_DA6BBBBB00710.24BB00
092ypf_B_DA6_DA7BBBBB00820.21BB00
102ypf_B_DA7_DC8BBBBB00770.23BB00
112ypf_B_DC8_DC9BBBBB00760.27BB00
122ypf_B_DC9_DT10BBBBB00560.34BB00
132ypf_B_DT10_DA11BBBBB01690.23BB01
142ypf_B_DA11_DA12BBBBB01590.17BB01
152ypf_B_DA12_DC13A-BAB03650.36AB03
162ypf_B_DC13_DC14BBBBB00410.23BB00
172ypf_B_DC14_DC15BBBBB00840.22BB00
182ypf_B_DC15_DT16BBBBB00840.19BB00
192ypf_B_DT16_DC17BBBBB00530.17BB00
202ypf_B_DC17_DT18NANNANT00.28BB01
212ypf_B_DT18_DA19NANNANT00.49BB12
222ypf_C_DT-19_DA-18NANNANT00.79AB04
232ypf_C_DA-18_DG-17miBBB15240.28BB15
242ypf_C_DG-17_DA-16miBBB10760.34BB10
252ypf_C_DA-16_DG-15BBBBB00390.24BB00
262ypf_C_DG-15_DG-14BBBBB00710.24BB00
272ypf_C_DG-14_DG-13BBBBB00420.29BB00
282ypf_C_DG-13_DT-12BBBBB00100.27BB00
292ypf_C_DT-12_DT-11B12BB04230.36BB04
302ypf_C_DT-11_DA-10BBBBB00690.20BB00
312ypf_C_DA-10_DG-9B12BB04490.39BB04
322ypf_C_DG-9_DG-8BBBBB00290.28BB00
332ypf_C_DG-8_DT-7BBBBB00320.28BB00
342ypf_C_DT-7_DT-6BBBBB01200.23BB01
352ypf_C_DT-6_DT-5A-BAB03910.28AB03
362ypf_C_DT-5_DA-4BBBBB01780.17BB01
372ypf_C_DA-4_DT-3BBBBB00200.35BB00
382ypf_C_DT-3_DA-2BBBBB00420.19BB00
392ypf_C_DA-2_DT-1NANNANT00.30BB15
402ypf_C_DT-1_DA0BB2BB07240.49BB07
412ypf_C_DA0_DA1BBBBB00250.35BB00

Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.

© Jiří Černý & Bohdan Schneider

Definition of torsion angles
step:
Table of conformers

δεζα1β1γ1δ1χχ1NCCNNNCC
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

Drag the plot for panning, scroll to zoom, click a point to show superposition in JSmol.

Download

Results (as csv)
Restraints (default edits file)
Best NtC fitted to input structure.

Definition of the conformers as torsion averages (csv) and their esd values (csv) or as their Cartesian coordinates of the 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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