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Conformers: ABBIImiBZICOPNSYNN
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Crystal Structure Analysis of the B-DNA Dodecamer CGCGAA-aU-TCGCG, with Incorporated Arabino-Uridine (aU)

Results of the assignment of 22 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
012fih_A_DC1_DG2BBBBB00920.19 BB00
022fih_A_DG2_DC3B-ABA01350.25 BA01
032fih_A_DC3_DG4A-BAB01540.21 AB01
042fih_A_DG4_DA5BBBBB00730.27 BB00
052fih_A_DA5_DA6BBBBB01800.08 BB01
062fih_A_DA6_UAR7B-ABA05850.34 BA05
072fih_A_UAR7_DT8BBBBB01570.22 BB01
082fih_A_DT8_DC9BBBBB01690.29 BB01
092fih_A_DC9_DG10BBBBB00670.38 BB00
102fih_A_DG10_DC11BB2BB07610.39 BB07
112fih_A_DC11_DG12BBBBB00400.38 BB00
122fih_B_DC113_DG114B-ABA05900.24 BA05
132fih_B_DG114_DC115B-ABA05240.40 BA05
142fih_B_DC115_DG116A-BAB01890.15 AB01
152fih_B_DG116_DA117BBBBB00610.36 BB00
162fih_B_DA117_DA118B-ABA05800.23 BA05
172fih_B_DA118_UAR119B-ABA05840.33 BA05
182fih_B_UAR119_DT120BBBBB01550.20 BB01
192fih_B_DT120_DC121BBBBB01860.19 BB01
202fih_B_DC121_DG122BBBBB00400.30 BB00
212fih_B_DG122_DC123B-ABA08750.37 BA08
222fih_B_DC123_DG124AAAAA00770.21 AA00

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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