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Conformers: ABBIImiBZICOPNSYNN
Click the Summary/Torsions/Similar/... tabs for more details.
Crystal Engineering with One 8-mer DNA

Results of the assignment of 19 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
018g4g_E_DC1_DC2NANNANT00.57 AB1S
028g4g_E_DC2_DG3NANNANT00.56 BBS1
038g4g_A_DC1_DC2NANNANT00.40 BB16
048g4g_A_DC2_DG3BBBBB00840.30 BB00
058g4g_B_DA1_DT2BBwBB02370.36 BB02
068g4g_B_DT2_DC3BBBBB00240.23 BB00
078g4g_B_DC3_DG4B12BB04640.17 BB04
088g4g_B_DG4_DG5BBBBB00800.24 BB00
098g4g_B_DG5_DC6miBBB15290.31 BB15
108g4g_B_DC6_DC7BBBBB00800.10 BB00
118g4g_B_DC7_DG8B12BB04430.41 BB04
128g4g_C_DA1_DT2A-BAB01160.40 AB01
138g4g_C_DT2_DC3BBBBB00430.24 BB00
148g4g_C_DC3_DG4BBBBB00860.23 BB00
158g4g_C_DG4_DG5BBBBB00120.22 BB00
168g4g_D_DA1_DT2BBBBB00720.29 BB00
178g4g_D_DT2_DC3miBBB10400.28 BB10
188g4g_D_DC3_DG4B12BB04350.21 BB04
198g4g_D_DG4_DG5B-ABA01500.12 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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