Conformers:
ABBIImiBZICOPNSYNN
Click the Summary/Torsions/Similar/... tabs for more details.
HUMAN DNA TOPOISOMERASE I IN COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX
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 | 1k4s_B_DA1_DA2 | NAN | NANT | 0 | 0.58 |
| 02 | 1k4s_B_DA2_DA3 | B12 | BB04 | 56 | 0.28 |
| 03 | 1k4s_B_DA3_DA4 | BBB | BB00 | 19 | 0.43 |
| 04 | 1k4s_B_DA4_DA5 | BBB | BB00 | 56 | 0.30 |
| 05 | 1k4s_B_DA5_DG6 | BBw | BB02 | 77 | 0.20 |
| 06 | 1k4s_B_DG6_DA7 | BBB | BB00 | 78 | 0.20 |
| 07 | 1k4s_B_DA7_DC8 | B12 | BB04 | 62 | 0.40 |
| 08 | 1k4s_B_DC8_5IU9 | B12 | BB04 | 55 | 0.43 |
| 09 | 1k4s_C_SPT11_DG12 | BBB | BB00 | 34 | 0.42 |
| 10 | 1k4s_C_DG12_DA13 | BBB | BB00 | 67 | 0.28 |
| 11 | 1k4s_C_DA13_DA14 | BBB | BB00 | 73 | 0.25 |
| 12 | 1k4s_C_DA14_DA15 | miB | BB10 | 65 | 0.48 |
| 13 | 1k4s_C_DA15_DA16 | BBB | BB00 | 89 | 0.17 |
| 14 | 1k4s_C_DA16_DA17 | B12 | BB04 | 86 | 0.19 |
| 15 | 1k4s_C_DA17_5IU18 | NAN | NANT | 0 | 0.34 |
| 16 | 1k4s_C_5IU18_5IU19 | BBB | BB00 | 58 | 0.30 |
| 17 | 1k4s_C_5IU19_5IU20 | BBw | BB02 | 86 | 0.21 |
| 18 | 1k4s_C_5IU20_5IU21 | BBB | BB00 | 66 | 0.27 |
| 19 | 1k4s_C_5IU21_DT22 | B12 | BB04 | 42 | 0.47 |
| 20 | 1k4s_D_DA101_DA102 | BBB | BB00 | 21 | 0.41 |
| 21 | 1k4s_D_DA102_DA103 | NAN | NANT | 0 | 0.51 |
| 22 | 1k4s_D_DA103_DA104 | BBB | BB00 | 40 | 0.38 |
| 23 | 1k4s_D_DA104_DA105 | B12 | BB04 | 75 | 0.25 |
| 24 | 1k4s_D_DA105_DT106 | NAN | NANT | 0 | 0.43 |
| 25 | 1k4s_D_DT106_5IU107 | NAN | NANT | 0 | 0.35 |
| 26 | 1k4s_D_5IU107_5IU108 | BBB | BB00 | 39 | 0.37 |
| 27 | 1k4s_D_5IU108_5IU109 | BBw | BB02 | 52 | 0.26 |
| 28 | 1k4s_D_5IU109_5IU110 | BBw | BB02 | 49 | 0.29 |
| 29 | 1k4s_D_5IU110_DC111 | BBB | BB00 | 75 | 0.25 |
| 30 | 1k4s_D_DC111_DA112 | BBB | BB00 | 67 | 0.27 |
| 31 | 1k4s_D_DA112_DA113 | BB2 | BB07 | 45 | 0.22 |
| 32 | 1k4s_D_DA113_DA114 | BBB | BB00 | 60 | 0.20 |
| 33 | 1k4s_D_DA114_DG115 | BBw | BB02 | 86 | 0.19 |
| 34 | 1k4s_D_DG115_5IU116 | BBB | BB00 | 70 | 0.26 |
| 35 | 1k4s_D_5IU116_DC117 | BBw | BB02 | 78 | 0.16 |
| 36 | 1k4s_D_DC117_5IU118 | BBw | BB03 | 69 | 0.36 |
| 37 | 1k4s_D_5IU118_5IU119 | NAN | NANT | 0 | 0.61 |
| 38 | 1k4s_D_5IU119_5IU120 | BBB | BB00 | 51 | 0.31 |
| 39 | 1k4s_D_5IU120_5IU121 | BBB | BB00 | 73 | 0.24 |
| 40 | 1k4s_D_5IU121_DT122 | miB | BB10 | 63 | 0.44 |
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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