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Conformers: ABBIImiBZICOPNSYNN
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CRYSTAL STRUCTURE OF A PENTAMIDINE-OLIGONUCLEOTIDE COMPLEX: IMPLICATIONS FOR DNA-BINDING PROPERTIES

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
011d64_A_DC1_DG2BBBBB00530.31 BB00
021d64_A_DG2_DC3B-ABA01390.25 BA01
031d64_A_DC3_DG4A-BAB03790.29 AB03
041d64_A_DG4_DA5B12BB04640.30 BB04
051d64_A_DA5_DA6BBBBB01450.16 BB01
061d64_A_DA6_DT7A-BAB03190.44 AB03
071d64_A_DT7_DT8BBBBB01260.32 BB01
081d64_A_DT8_DC9miBBB15500.34 BB15
091d64_A_DC9_DG10BBBBB00100.40 BB00
101d64_A_DG10_DC11BB2BB07470.42 BB07
111d64_A_DC11_DG12BBBBB01120.36 BB01
121d64_B_DC13_DG14NANNANT00.37 BA17
131d64_B_DG14_DC15AAAAA0070.47 AA00
141d64_B_DC15_DG16NANNANT00.41 AB03
151d64_B_DG16_DA17NANNANT00.37 BB00
161d64_B_DA17_DA18NANNANT00.39 BA17
171d64_B_DA18_DT19BBBBB00870.20 BB00
181d64_B_DT19_DT20BBBBB01220.22 BB01
191d64_B_DT20_DC21NANNANT00.25 BB01
201d64_B_DC21_DG22A-BAB01160.35 AB01
211d64_B_DG22_DC23NANNANT00.39 BB04
221d64_B_DC23_DG24B-ABA01250.36 BA01

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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