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Conformers: ABBIImiBZICOPNSYNN
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The Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus solfataricus DNA Polymerase IV: Steady-state and Pre-steady-state Kinetics and X- Ray Crystallography of Correct and Incorrect Pairing

Results of the assignment of 26 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
012jeg_P_DG1_DG2BBBBB00900.12 BB00
022jeg_P_DG2_DG3NANNANT00.54 BB15
032jeg_P_DG3_DG4miBBB15560.29 BB15
042jeg_P_DG4_DG5BBwBB02800.28 BB02
052jeg_P_DG5_DA6BBBBB00720.21 BB00
062jeg_P_DA6_DA7BBBBB00850.14 BB00
072jeg_P_DA7_DG8BBBBB00630.25 BB00
082jeg_P_DG8_DG9B12BB04410.28 BB04
092jeg_P_DG9_DA10BBBBB00840.24 BB00
102jeg_P_DA10_DT11BBwBB02540.22 BB02
112jeg_P_DT11_DT12BBBBB00740.24 BB00
122jeg_P_DT12_DC13BBBBB00710.36 BB00
132jeg_T_DC2_DA3NANNANT01.91 OP02
142jeg_T_DA3_DC4NANNANT01.29 IC03
152jeg_T_DG6_DA7B12BB04700.29 BB04
162jeg_T_DA7_DA8B12BB04660.27 BB04
172jeg_T_DA8_DT9BBBBB00890.14 BB00
182jeg_T_DT9_DC10B12BB04590.32 BB04
192jeg_T_DC10_DC11BBBBB00670.31 BB00
202jeg_T_DC11_DT12BBBBB00590.18 BB00
212jeg_T_DT12_DT13BBBBB00950.14 BB00
222jeg_T_DT13_DC14BBwBB02300.28 BB02
232jeg_T_DC14_DC15BBBBB00710.33 BB00
242jeg_T_DC15_DC16BBBBB00830.30 BB00
252jeg_T_DC16_DC17BBBBB00690.23 BB00
262jeg_T_DC17_DC18B12BB04720.23 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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