Conformers:
ABBIImiBZICOPNSYNN
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Crystal Structure Analysis of a 2'-O-[2-(Methylthio)-ethyl]-Modified Oligodeoxynucleotide Duplex
Click a row in table or a step in viewer for analysis of results. Click column headers to sort data.
Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.
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.
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 number | Step name | CANA | NtC | confal | rmsd |
|---|---|---|---|---|---|
| 01 | 1mlx_A_DG1_DC2 | AAA | AA00 | 81 | 0.20 |
| 02 | 1mlx_A_DC2_DG3 | AAw | AA01 | 95 | 0.04 |
| 03 | 1mlx_A_DG3_DT4 | AAA | AA00 | 20 | 0.37 |
| 04 | 1mlx_A_DT4_DA5 | AAw | AA01 | 90 | 0.19 |
| 05 | 1mlx_A_DA5_SMT6 | AAA | AA00 | 89 | 0.15 |
| 06 | 1mlx_A_SMT6_DA7 | AAA | AA00 | 85 | 0.13 |
| 07 | 1mlx_A_DA7_DC8 | AAA | AA00 | 94 | 0.14 |
| 08 | 1mlx_A_DC8_DG9 | AAA | AA00 | 83 | 0.17 |
| 09 | 1mlx_A_DG9_DC10 | AAA | AA00 | 81 | 0.20 |
| 10 | 1mlx_B_DG111_DC112 | AAA | AA00 | 85 | 0.15 |
| 11 | 1mlx_B_DC112_DG113 | AAA | AA00 | 86 | 0.17 |
| 12 | 1mlx_B_DG113_DT114 | AAA | AA00 | 82 | 0.19 |
| 13 | 1mlx_B_DT114_DA115 | AAA | AA00 | 90 | 0.14 |
| 14 | 1mlx_B_DA115_SMT116 | AAA | AA00 | 88 | 0.18 |
| 15 | 1mlx_B_SMT116_DA117 | AAA | AA00 | 85 | 0.13 |
| 16 | 1mlx_B_DA117_DC118 | AAA | AA00 | 81 | 0.19 |
| 17 | 1mlx_B_DC118_DG119 | AAA | AA04 | 86 | 0.20 |
| 18 | 1mlx_B_DG119_DC120 | AAA | AA00 | 72 | 0.22 |
Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.
|
step: Table of conformers |
| δ1 | ε1 | ζ1 | α2 | β2 | γ2 | δ2 | χ1 | χ2 | μ | NN | CC | |
| step_torsions | ||||||||||||
| ntC_average | ||||||||||||
| Δ torsions | ||||||||||||
| torsion scores |
| comments | step 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).
Browse conformers
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