Conformers:
ABBIImiBZICOPNSYNN
Click the Summary/Torsions/Similar/... tabs for more details.
Structural Mechanisms of Camptothecin Resistance by Mutations in Human Topoisomerase I
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 | 1rr8_A_DA1_DA2 | NAN | NANT | 0 | 0.49 |
| 02 | 1rr8_A_DA2_DA3 | NAN | NANT | 0 | 0.50 |
| 03 | 1rr8_A_DA3_DA4 | BBB | BB00 | 76 | 0.17 |
| 04 | 1rr8_A_DA4_DA5 | BBw | BB02 | 86 | 0.22 |
| 05 | 1rr8_A_DA5_DG6 | BBB | BB00 | 68 | 0.24 |
| 06 | 1rr8_A_DG6_DA7 | BBB | BB00 | 97 | 0.10 |
| 07 | 1rr8_A_DA7_DC8 | miB | BB12 | 61 | 0.28 |
| 08 | 1rr8_A_DC8_DT9 | NAN | NANT | 0 | 0.64 |
| 09 | 1rr8_A_DG11_DG12 | BBw | BB16 | 71 | 0.27 |
| 10 | 1rr8_A_DG12_DA13 | B12 | BB04 | 78 | 0.19 |
| 11 | 1rr8_A_DA13_DA14 | B12 | BB04 | 83 | 0.20 |
| 12 | 1rr8_A_DA14_DA15 | BBw | BB02 | 85 | 0.26 |
| 13 | 1rr8_A_DA15_DA16 | BBB | BB00 | 50 | 0.31 |
| 14 | 1rr8_A_DA16_DA17 | BBB | BB00 | 84 | 0.22 |
| 15 | 1rr8_A_DA17_DT18 | BBw | BB02 | 64 | 0.32 |
| 16 | 1rr8_A_DT18_DT19 | BBB | BB00 | 82 | 0.19 |
| 17 | 1rr8_A_DT19_DT20 | B12 | BB04 | 61 | 0.31 |
| 18 | 1rr8_A_DT20_DT21 | B12 | BB04 | 90 | 0.17 |
| 19 | 1rr8_A_DT21_DT22 | BBB | BB00 | 86 | 0.21 |
| 20 | 1rr8_B_DA101_DA102 | BBB | BB00 | 59 | 0.33 |
| 21 | 1rr8_B_DA102_DA103 | BBB | BB00 | 74 | 0.26 |
| 22 | 1rr8_B_DA103_DA104 | B12 | BB04 | 83 | 0.20 |
| 23 | 1rr8_B_DA104_DA105 | miB | BB10 | 90 | 0.29 |
| 24 | 1rr8_B_DA105_DT106 | BBw | BB02 | 52 | 0.32 |
| 25 | 1rr8_B_DT106_DT107 | BBB | BB00 | 64 | 0.28 |
| 26 | 1rr8_B_DT107_DT108 | BBB | BB00 | 75 | 0.27 |
| 27 | 1rr8_B_DT108_DT109 | BB2 | BB08 | 85 | 0.27 |
| 28 | 1rr8_B_DT109_DT110 | BBB | BB00 | 62 | 0.24 |
| 29 | 1rr8_B_DT110_DC111 | BBw | BB02 | 77 | 0.19 |
| 30 | 1rr8_B_DC111_DC112 | BBw | BB03 | 43 | 0.31 |
| 31 | 1rr8_B_DC112_DA113 | NAN | NANT | 0 | 0.47 |
| 32 | 1rr8_B_DA113_DA114 | BBB | BB00 | 89 | 0.10 |
| 33 | 1rr8_B_DA114_DG115 | B12 | BB05 | 93 | 0.22 |
| 34 | 1rr8_B_DG115_DT116 | BBw | BB16 | 58 | 0.61 |
| 35 | 1rr8_B_DT116_DC117 | BBB | BB00 | 83 | 0.20 |
| 36 | 1rr8_B_DC117_DT118 | BBB | BB00 | 68 | 0.29 |
| 37 | 1rr8_B_DT118_DT119 | BBB | BB00 | 88 | 0.18 |
| 38 | 1rr8_B_DT119_DT120 | BBw | BB02 | 64 | 0.30 |
| 39 | 1rr8_B_DT120_DT121 | BBw | BB03 | 86 | 0.30 |
| 40 | 1rr8_B_DT121_DT122 | BBB | BB00 | 73 | 0.25 |
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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