Conformers:
ABBIImiBZICOPNSYNN
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SOLUTION STRUCTURE OF A DNA DODECAMER CONTAINING THE ANTI-NEOPLASTIC AGENT ARABINOSYLCYTOSINE: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS AND FULL RELAXATION MATRIX REFINEMENT
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 | 170d_A_DC1_DG2 | A-B | AB03 | 37 | 0.49 |
| 02 | 170d_A_DG2_DC3 | BBB | BB00 | 42 | 0.27 |
| 03 | 170d_A_DC3_DG4 | BBB | BB00 | 47 | 0.34 |
| 04 | 170d_A_DG4_DA5 | BBB | BB00 | 61 | 0.36 |
| 05 | 170d_A_DA5_DA6 | BBB | BB00 | 62 | 0.39 |
| 06 | 170d_A_DA6_DT7 | BBB | BB00 | 76 | 0.20 |
| 07 | 170d_A_DT7_DT8 | BBB | BB00 | 54 | 0.26 |
| 08 | 170d_A_DT8_CAR9 | B-A | BA05 | 10 | 0.33 |
| 09 | 170d_A_CAR9_DG10 | A-B | AB01 | 38 | 0.25 |
| 10 | 170d_A_DG10_DC11 | BBB | BB00 | 39 | 0.29 |
| 11 | 170d_A_DC11_DG12 | NAN | NANT | 0 | 0.65 |
| 12 | 170d_B_DC13_DG14 | A-B | AB03 | 37 | 0.49 |
| 13 | 170d_B_DG14_DC15 | BBB | BB00 | 44 | 0.27 |
| 14 | 170d_B_DC15_DG16 | BBB | BB00 | 48 | 0.34 |
| 15 | 170d_B_DG16_DA17 | BBB | BB00 | 61 | 0.36 |
| 16 | 170d_B_DA17_DA18 | BBB | BB00 | 62 | 0.39 |
| 17 | 170d_B_DA18_DT19 | BBB | BB00 | 76 | 0.20 |
| 18 | 170d_B_DT19_DT20 | BBB | BB00 | 55 | 0.26 |
| 19 | 170d_B_DT20_CAR21 | B-A | BA05 | 11 | 0.33 |
| 20 | 170d_B_CAR21_DG22 | A-B | AB01 | 38 | 0.25 |
| 21 | 170d_B_DG22_DC23 | BBB | BB00 | 40 | 0.29 |
| 22 | 170d_B_DC23_DG24 | NAN | NANT | 0 | 0.65 |
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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