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Conformers: ABBIImiBZICOPNSYNN
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THE CRYSTAL STRUCTURE OF C-C-A-T-T-A-A-T-G-G: IMPLICATIONS FOR BENDING OF B-DNA AT T-A STEPS

Results of the assignment of 18 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
01167d_A_DC1_DC2BBBBB00270.45 BB00
02167d_A_DC2_DA3BB2BB07210.29 BB07
03167d_A_DA3_DT4BBBBB00180.23 BB00
04167d_A_DT4_DT5B-ABA01370.26 BA01
05167d_A_DT5_DA6NANNANT00.55 AA02
06167d_A_DA6_DA7BBBBB00330.32 BB00
07167d_A_DA7_DT8BBBBB00160.32 BB00
08167d_A_DT8_DG9miBBB15290.51 BB15
09167d_A_DG9_DG10BB2BB07260.20 BB07
10167d_B_DC11_DC12BBBBB00140.36 BB00
11167d_B_DC12_DA13BBBBB00340.40 BB00
12167d_B_DA13_DT14B-ABA01200.22 BA01
13167d_B_DT14_DT15BBBBB01310.33 BB01
14167d_B_DT15_DA16BBBBB01820.18 BB01
15167d_B_DA16_DA17B-ABA05590.26 BA05
16167d_B_DA17_DT18BBBBB00110.24 BB00
17167d_B_DT18_DG19B12BB04290.27 BB04
18167d_B_DG19_DG20B12BB04190.38 BB04

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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