Comparison of phase and torsional angle χ in the d(GTATGGCCATAC)2 dodecanucleotides studied Data are averaged over the last 4 ns of the MD simulation.
| Complex with Two Trabectedin Molecules | Free | |||
|---|---|---|---|---|
| Phase | χ | Phase | χ | |
| degrees | ||||
| T4 | 102.7 ± 37.6 | 126.1 ± 18.1 | 124.8 ± 31.2 | –110.3 ± 19.7 |
| G5 | 159.1 ± 16.5 | –104.8 ± 10.8 | 153.7 ± 19.8 | –99.0 ± 16.3 |
| G6 | 139.0 ± 17.5 | –106.0 ± 11.8 | 156.3 ± 40.0 | –119.1 ± 17.1 |
| C7 | 97.0 ± 49.6 | –136.8 ± 13.6 | 143.2 ± 26.5 | –117.6 ± 15.9 |
| C8 | 49.6 ± 76.4 | –142.8 ± 9.8 | 132.6 ± 30.7 | –123.9 ± 15.9 |
| A9 | 181.4 ± 11.6 | –106.1 ± 9.2 | 157.4 ± 35.8 | –111.6 ± 14.6 |
| T16 | 104.7 ± 34.7 | –118.2 ± 23.5 | 133.9 ± 26.5 | –99.3 ± 20.5 |
| G17 | 162.6 ± 17.0 | –106.6 ± 10.8 | 174.9 ± 51.4 | –122.6 ± 25.6 |
| G18 | 142.4 ± 14.5 | –105.4 ± 11.2 | 141.9 ± 25.2 | –120.8 ± 19.7 |
| C19 | 126.5 ± 40.7 | –129.6 ± 14.1 | 149.4 ± 23.9 | –120.3 ± 13.2 |
| C20 | 67.4 ± 78.2 | –141.9 ± 11.5 | 130.9 ± 40.8 | –122.4 ± 17.9 |
| A21 | 174.8 ± 16.6 | –104.5 ± 8.9 | 154.9 ± 29.0 | –104.1 ± 17.6 |