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

©Jiří Černý & Bohdan Schneider

Testing the Water-Mediated HIN Recombinase DNA Recognition by Systematic Mutations

Results of the assignment of 28 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
011jkq_A_DT2_DG3NANNANT00.53BB00
021jkq_A_DG3_DT4BBBBB00790.33BB00
031jkq_A_DT4_DT5BBBBB01800.20BB01
041jkq_A_DT5_DT6BBBBB00690.22BB00
051jkq_A_DT6_DT7BBBBB01540.26BB01
061jkq_A_DT7_DT8BBBBB00530.46BB00
071jkq_A_DT8_DT9BBBBB00530.27BB00
081jkq_A_DT9_DA10B12BB04490.30BB04
091jkq_A_DA10_DT11BBBBB00720.29BB00
101jkq_A_DT11_DA12miBBB10600.40BB10
111jkq_A_DA12_DA13B12BB04810.28BB04
121jkq_A_DA13_DG14B12BB04770.20BB04
131jkq_A_DG14_DA15NANNANT01.22OP17
141jkq_B_DA.A16_DT.A17NANNANT00.81AA01
151jkq_B_DA.B16_DT.B17NANNANT00.74BB02
161jkq_B_DT.A17_DC18A-BAB01520.39AB01
171jkq_B_DT.B17_DC18BBwBB16480.45BB16
181jkq_B_DC18_DT19BBwBB02700.20BB02
191jkq_B_DT19_DT20BBBBB00810.21BB00
201jkq_B_DT20_DA21B12BB04690.25BB04
211jkq_B_DA21_DT22BBBBB00960.08BB00
221jkq_B_DT22_DA23miBBB10410.41BB10
231jkq_B_DA23_DA24B12BB04850.17BB04
241jkq_B_DA24_DA25BBBBB00840.13BB00
251jkq_B_DA25_DA26BB2BB07340.22BB07
261jkq_B_DA26_DA27BBBBB00470.35BB00
271jkq_B_DA27_DA28BBwBB02300.43BB02
281jkq_B_DA28_DC29BBBBB00650.40BB00

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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