Conformers:
ABBIImiBZICOPNSYNN
Click the Summary/Torsions/Similar/... tabs for more details.
2.5A structure of GSK945237 with S.aureus DNA gyrase and DNA.
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 74 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 | 5iwm_E_DA.A1_DG.A2 | NAN | NANT | 0 | 0.55 |
| 02 | 5iwm_E_DA.B1_DG.B2 | NAN | NANT | 0 | 0.44 |
| 03 | 5iwm_E_DG.A2_DC.A3 | NAN | NANT | 0 | 0.52 |
| 04 | 5iwm_E_DG.B2_DC.B3 | B12 | BB04 | 10 | 0.24 |
| 05 | 5iwm_E_DC.A3_DC.A4 | AAA | AA02 | 35 | 0.43 |
| 06 | 5iwm_E_DC.B3_DC.B4 | NAN | NANT | 0 | 0.27 |
| 07 | 5iwm_E_DC.A4_DG.A5 | NAN | NANT | 0 | 0.58 |
| 08 | 5iwm_E_DC.B4_DG.B5 | BBB | BB00 | 12 | 0.64 |
| 09 | 5iwm_E_DG.A5_DT.A6 | BB2 | BB08 | 81 | 0.33 |
| 10 | 5iwm_E_DG.B5_DT.B6 | BB2 | BB08 | 70 | 0.32 |
| 11 | 5iwm_E_DT.A6_DA.A7 | B-A | BA10 | 75 | 0.37 |
| 12 | 5iwm_E_DT.B6_DA.B7 | B-A | BA10 | 84 | 0.35 |
| 13 | 5iwm_E_DA.A7_DG.A8 | AAA | AA00 | 49 | 0.29 |
| 14 | 5iwm_E_DA.B7_DG.B8 | AAA | AA00 | 53 | 0.29 |
| 15 | 5iwm_E_DG.A8_DG.A9 | AAA | AA04 | 57 | 0.27 |
| 16 | 5iwm_E_DG.B8_DG.B9 | AAA | AA00 | 88 | 0.20 |
| 17 | 5iwm_E_DG.A9_DT.A10 | NAN | NANT | 0 | 0.50 |
| 18 | 5iwm_E_DG.B9_DT.B10 | NAN | NANT | 0 | 0.57 |
| 19 | 5iwm_E_DT.A10_DT.A11 | NAN | NANT | 0 | 0.41 |
| 20 | 5iwm_E_DT.B10_DT.B11 | A-B | AB04 | 12 | 0.63 |
| 21 | 5iwm_E_DT.A11_DC.A12 | BBB | BB00 | 16 | 0.33 |
| 22 | 5iwm_E_DT.B11_DC.B12 | A-B | AB03 | 28 | 0.48 |
| 23 | 5iwm_E_DC.A12_DA.A13 | NAN | NANT | 0 | 0.56 |
| 24 | 5iwm_E_DC.B12_DA.B13 | NAN | NANT | 0 | 0.68 |
| 25 | 5iwm_E_DA.A13_DC.A14 | AAA | AA08 | 87 | 0.12 |
| 26 | 5iwm_E_DA.B13_DC.B14 | AAA | AA08 | 78 | 0.26 |
| 27 | 5iwm_E_DC.A14_DC.A15 | A-B | AB04 | 65 | 0.36 |
| 28 | 5iwm_E_DC.B14_DC.B15 | A-B | AB05 | 37 | 0.42 |
| 29 | 5iwm_E_DC.A15_DG.A16 | B-A | BA05 | 33 | 0.36 |
| 30 | 5iwm_E_DC.B15_DG.B16 | B-A | BA05 | 15 | 0.39 |
| 31 | 5iwm_E_DG.A16_DC.A17 | NAN | NANT | 0 | 0.45 |
| 32 | 5iwm_E_DG.B16_DC.B17 | NAN | NANT | 0 | 0.50 |
| 33 | 5iwm_E_DC.A17_DA.A18 | BBB | BB00 | 84 | 0.17 |
| 34 | 5iwm_E_DC.B17_DA.B18 | miB | BB15 | 64 | 0.27 |
| 35 | 5iwm_E_DA.A18_DC.A19 | NAN | NANT | 0 | 0.31 |
| 36 | 5iwm_E_DA.B18_DC.B19 | NAN | NANT | 0 | 0.42 |
| 37 | 5iwm_E_DC.A19_DA.A20 | NAN | NANT | 0 | 0.49 |
| 38 | 5iwm_F_DT.A1_DG.A2 | BBB | BB00 | 54 | 0.35 |
| 39 | 5iwm_F_DT.B1_DG.B2 | SYN | BBS1 | 55 | 0.30 |
| 40 | 5iwm_F_DG.A2_DT.A3 | B12 | BB04 | 41 | 0.25 |
| 41 | 5iwm_F_DG.B2_DT.B3 | B12 | BB04 | 14 | 0.30 |
| 42 | 5iwm_F_DT.A3_DG.A4 | B-A | BA08 | 48 | 0.26 |
| 43 | 5iwm_F_DT.B3_DG.B4 | B-A | BA01 | 8 | 0.55 |
| 44 | 5iwm_F_DG.A4_DC.A5 | A-B | AB01 | 18 | 0.51 |
| 45 | 5iwm_F_DG.B4_DC.B5 | NAN | NANT | 0 | 0.46 |
| 46 | 5iwm_F_DC.A5_DG.A6 | BB2 | BB08 | 45 | 0.29 |
| 47 | 5iwm_F_DC.B5_DG.B6 | BB2 | BB08 | 86 | 0.31 |
| 48 | 5iwm_F_DG.A6_DG.A7 | B-A | BA10 | 66 | 0.32 |
| 49 | 5iwm_F_DG.B6_DG.B7 | B-A | BA10 | 66 | 0.33 |
| 50 | 5iwm_F_DG.A7_DT.A8 | AAA | AA00 | 36 | 0.34 |
| 51 | 5iwm_F_DG.B7_DT.B8 | AAA | AA00 | 21 | 0.40 |
| 52 | 5iwm_F_DT.A8_DG.A9 | AAA | AA04 | 87 | 0.29 |
| 53 | 5iwm_F_DT.B8_DG.B9 | AAA | AA04 | 79 | 0.29 |
| 54 | 5iwm_F_DG.A9_DA.A10 | NAN | NANT | 0 | 0.54 |
| 55 | 5iwm_F_DG.B9_DA.B10 | NAN | NANT | 0 | 0.50 |
| 56 | 5iwm_F_DA.A10_DA.A11 | NAN | NANT | 0 | 0.63 |
| 57 | 5iwm_F_DA.B10_DA.B11 | NAN | NANT | 0 | 0.64 |
| 58 | 5iwm_F_DA.A11_DC.A12 | NAN | NANT | 0 | 0.45 |
| 59 | 5iwm_F_DA.B11_DC.B12 | BBB | BB00 | 29 | 0.38 |
| 60 | 5iwm_F_DC.A12_DC.A13 | NAN | NANT | 0 | 0.56 |
| 61 | 5iwm_F_DC.B12_DC.B13 | NAN | NANT | 0 | 0.52 |
| 62 | 5iwm_F_DC.A13_DT.A14 | AAA | AA08 | 79 | 0.32 |
| 63 | 5iwm_F_DC.B13_DT.B14 | AAA | AA08 | 44 | 0.31 |
| 64 | 5iwm_F_DT.A14_DA.A15 | A-B | AB05 | 38 | 0.45 |
| 65 | 5iwm_F_DT.B14_DA.B15 | A-B | AB04 | 48 | 0.31 |
| 66 | 5iwm_F_DA.A15_DC.A16 | BBB | BB01 | 12 | 0.47 |
| 67 | 5iwm_F_DA.B15_DC.B16 | B-A | BA05 | 19 | 0.27 |
| 68 | 5iwm_F_DC.A16_DG.A17 | NAN | NANT | 0 | 0.65 |
| 69 | 5iwm_F_DC.B16_DG.B17 | NAN | NANT | 0 | 0.62 |
| 70 | 5iwm_F_DG.A17_DG.A18 | BBB | BB00 | 85 | 0.10 |
| 71 | 5iwm_F_DG.B17_DG.B18 | BBB | BB00 | 75 | 0.18 |
| 72 | 5iwm_F_DG.A18_DC.A19 | NAN | NANT | 0 | 0.49 |
| 73 | 5iwm_F_DG.B18_DC.B19 | B-A | BA08 | 66 | 0.35 |
| 74 | 5iwm_F_DC.B19_DT.B20 | NAN | NANT | 0 | 0.54 |
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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| visible |
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