TABLE 7.
Molecules | Major groove width (Å) | Minor groove width (Å) | |
---|---|---|---|
PX55 | Helix1 | 12.5 ± 2.1 | 5.48 ± 2.0 |
Helix2 | 13.32 ± 1.8 | 5.44 ± 1.8 | |
PX65 | Helix2 | 13.93 ± 2.1 | 6.43 ± 2.0 |
Helix2 | 13.93 ± 2.0 | 6.27 ± 2.4 | |
PX75 | Helix1 | 13.48 ± 2.8 | 6.35 ± 2.1 |
Helix2 | 13.68 ± 2.2 | 5.63 ± 1.6 | |
PX85 | Helix1 | 16.52 ± 3.9 | 5.49 ± 3.0 |
Helix2 | 15.1 ± 3.4 | 5.55 ± 2.5 | |
PX95 | Helix1 | 16.83 ± 3.7 | 5.78 ± 3.2 |
Helix2 | 14.7 ± 3.6 | 6.88 ± 3.2 |
The data have been averaged over the last 200 ps of the 2.5-ns MD runs.