Conformers:
ABBIImiBZICOPNSYNN
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Crystal Structure of an AlkA Host/Guest Complex 2'-fluoro-2'-deoxy-1,N6-ethenoadenine:Thymine Base Pair
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 40 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 | 3cwu_E_DG1_DA2 | BBB | BB00 | 58 | 0.34 |
| 02 | 3cwu_E_DA2_DC3 | BBB | BB00 | 82 | 0.26 |
| 03 | 3cwu_E_DC3_DA4 | B12 | BB04 | 89 | 0.18 |
| 04 | 3cwu_E_DA4_DT5 | BBB | BB00 | 89 | 0.24 |
| 05 | 3cwu_E_DT5_DG6 | B12 | BB04 | 83 | 0.22 |
| 06 | 3cwu_E_DG6_DA7 | BBB | BB00 | 76 | 0.28 |
| 07 | 3cwu_E_DT9_DG10 | NAN | NANT | 0 | 0.77 |
| 08 | 3cwu_E_DG10_DC11 | BBB | BB00 | 70 | 0.21 |
| 09 | 3cwu_E_DC11_DC12 | BBB | BB00 | 36 | 0.43 |
| 10 | 3cwu_F_DG14_DG15 | BBB | BB00 | 68 | 0.24 |
| 11 | 3cwu_F_DG15_DC16 | BBB | BB00 | 62 | 0.33 |
| 12 | 3cwu_F_DC16_DA17 | B12 | BB04 | 45 | 0.21 |
| 13 | 3cwu_F_DA17_DT18 | BBw | BB02 | 59 | 0.26 |
| 14 | 3cwu_F_DT18_DT19 | BBB | BB00 | 49 | 0.36 |
| 15 | 3cwu_F_DT19_DC20 | miB | BB13 | 83 | 0.18 |
| 16 | 3cwu_F_DC20_DA21 | BBB | BB00 | 43 | 0.51 |
| 17 | 3cwu_F_DA21_DT22 | BBw | BB02 | 72 | 0.34 |
| 18 | 3cwu_F_DT22_DG23 | BBB | BB00 | 63 | 0.43 |
| 19 | 3cwu_F_DG23_DT24 | BBw | BB11 | 41 | 0.56 |
| 20 | 3cwu_F_DT24_DC25 | NAN | NANT | 0 | 0.78 |
| 21 | 3cwu_G_DG1_DA2 | BBB | BB00 | 59 | 0.32 |
| 22 | 3cwu_G_DA2_DC3 | BBB | BB00 | 73 | 0.38 |
| 23 | 3cwu_G_DC3_DA4 | BB2 | BB08 | 45 | 0.27 |
| 24 | 3cwu_G_DA4_DT5 | NAN | NANT | 0 | 0.63 |
| 25 | 3cwu_G_DT5_DG6 | NAN | NANT | 0 | 0.61 |
| 26 | 3cwu_G_DG6_DA7 | BBB | BB00 | 68 | 0.34 |
| 27 | 3cwu_G_DT9_DG10 | BBw | BB11 | 80 | 0.26 |
| 28 | 3cwu_G_DG10_DC11 | B12 | BB04 | 64 | 0.34 |
| 29 | 3cwu_G_DC11_DC12 | miB | BB13 | 80 | 0.18 |
| 30 | 3cwu_H_DG14_DG15 | BBB | BB00 | 69 | 0.25 |
| 31 | 3cwu_H_DG15_DC16 | BBB | BB00 | 79 | 0.36 |
| 32 | 3cwu_H_DC16_DA17 | B12 | BB04 | 89 | 0.16 |
| 33 | 3cwu_H_DA17_DT18 | BBB | BB00 | 65 | 0.24 |
| 34 | 3cwu_H_DT18_DT19 | BBB | BB00 | 70 | 0.29 |
| 35 | 3cwu_H_DT19_DC20 | B12 | BB04 | 88 | 0.21 |
| 36 | 3cwu_H_DC20_DA21 | miB | BB13 | 88 | 0.19 |
| 37 | 3cwu_H_DA21_DT22 | BBw | BB02 | 20 | 0.54 |
| 38 | 3cwu_H_DT22_DG23 | B12 | BB04 | 64 | 0.20 |
| 39 | 3cwu_H_DG23_DT24 | BBw | BB02 | 83 | 0.21 |
| 40 | 3cwu_H_DT24_DC25 | BBB | BB00 | 66 | 0.23 |
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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