Conformers:
ABBIImiBZICOPNSYNN
Click the Summary/Torsions/Similar/... tabs for more details.
DRUG-DNA MINOR GROOVE RECOGNITION: CRYSTAL STRUCTURE OF GAMMA-OXAPENTAMIDINE COMPLEXED WITH D(CGCGAATTCGCG)2
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 22 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 | 166d_A_DC1_DG2 | NAN | NANT | 0 | 0.32 |
| 02 | 166d_A_DG2_DC3 | NAN | NANT | 0 | 0.40 |
| 03 | 166d_A_DC3_DG4 | BBB | BB00 | 56 | 0.45 |
| 04 | 166d_A_DG4_DA5 | BBB | BB00 | 70 | 0.28 |
| 05 | 166d_A_DA5_DA6 | BBB | BB00 | 83 | 0.13 |
| 06 | 166d_A_DA6_DT7 | BBB | BB00 | 78 | 0.20 |
| 07 | 166d_A_DT7_DT8 | BBB | BB00 | 79 | 0.26 |
| 08 | 166d_A_DT8_DC9 | BBB | BB00 | 59 | 0.23 |
| 09 | 166d_A_DC9_DG10 | B12 | BB04 | 51 | 0.31 |
| 10 | 166d_A_DG10_DC11 | BB2 | BB07 | 70 | 0.40 |
| 11 | 166d_A_DC11_DG12 | NAN | NANT | 0 | 0.44 |
| 12 | 166d_B_DC13_DG14 | BB2 | BB07 | 14 | 0.39 |
| 13 | 166d_B_DG14_DC15 | BBB | BB00 | 65 | 0.19 |
| 14 | 166d_B_DC15_DG16 | B12 | BB04 | 72 | 0.30 |
| 15 | 166d_B_DG16_DA17 | BBB | BB00 | 75 | 0.24 |
| 16 | 166d_B_DA17_DA18 | BBB | BB00 | 81 | 0.15 |
| 17 | 166d_B_DA18_DT19 | BBB | BB00 | 68 | 0.29 |
| 18 | 166d_B_DT19_DT20 | BBB | BB00 | 78 | 0.21 |
| 19 | 166d_B_DT20_DC21 | BBB | BB00 | 93 | 0.18 |
| 20 | 166d_B_DC21_DG22 | BBB | BB00 | 50 | 0.32 |
| 21 | 166d_B_DG22_DC23 | BB2 | BB07 | 29 | 0.29 |
| 22 | 166d_B_DC23_DG24 | BBB | BB00 | 75 | 0.37 |
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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| Color by conformation group (pyramids) | |
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