Table 2. Electrostatic interaction computed as Debye–Hückel energies (GDH). Protein* denotes Protein-RNA complex. Errors were computed from binning analysis (bin width: 80ns). Errors lower that 0.05 kcal/mol are shown as “0.0”.
| ΔGDH (kcal/mol) | ||
|---|---|---|
| RNA-protein | Closed | Open |
| Apo | −4.9 ± 0.0 | −3.7 ± 0.2 |
| ADP·Mg2+ | −5.0 ± 0.1 | −3.9 ± 0.0 |
| ATP·Mg2+ | −5.5 ± 0.1 | −4.7 ± 0.1 |
| RNA-Ligand | Closed | Open |
| ADP·Mg2+ | −0.1 ± 0.1 | −0.2 ± 0.0 |
| ATP·Mg2+ | −0.2 ± 0.1 | −0.2 ± 0.1 |
| Ligand-Protein* | Closed | Open |
| ADP·Mg2+ | −0.4 ± 0.0 | −1.1 ± 0.0 |
| ATP·Mg2+ | −0.8 ± 0.0 | −0.1 ± 0.0 |