Conformers:
ABBIImiBZICOPNSYNN
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Crystal structure of a trypanocidal 4,4'-Bis(imidazolinylamino)diphenylamine bound to DNA
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 14 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 | 3fsi_G_DC1_DT2 | BBB | BB00 | 83 | 0.16 |
| 02 | 3fsi_G_DT2_DT3 | BBB | BB00 | 83 | 0.22 |
| 03 | 3fsi_G_DT3_DA4 | BBB | BB00 | 80 | 0.20 |
| 04 | 3fsi_G_DA4_DA5 | BBw | BB02 | 56 | 0.38 |
| 05 | 3fsi_G_DA5_DT6 | BBB | BB00 | 66 | 0.28 |
| 06 | 3fsi_G_DT6_DT7 | BBw | BB02 | 95 | 0.13 |
| 07 | 3fsi_G_DT7_DC8 | BBB | BB00 | 81 | 0.25 |
| 08 | 3fsi_B_DG9_DA10 | B12 | BB04 | 89 | 0.16 |
| 09 | 3fsi_B_DA10_DA11 | BBB | BB00 | 76 | 0.30 |
| 10 | 3fsi_B_DA11_DT12 | BBw | BB02 | 99 | 0.12 |
| 11 | 3fsi_B_DT12_DT13 | BBB | BB00 | 71 | 0.28 |
| 12 | 3fsi_B_DT13_DA14 | BBB | BB00 | 94 | 0.16 |
| 13 | 3fsi_B_DA14_DA15 | BBB | BB00 | 81 | 0.21 |
| 14 | 3fsi_B_DA15_DG16 | B12 | BB04 | 71 | 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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