Table 1. Average number of intra-solute hydrogen bonds for each of the six reported simulations. Detailed counts between selected solute groups are reported in Supplementary Table SD4–SD6.
| Groups | Total | ΔHBoc | |
|---|---|---|---|
| Closed | 349.4 | ||
| Apo | Open | 348.8 | −0.6 |
| 3O8C | 320 | ||
| ADP·Mg2+ | Closed | 353.1 | 0.5 |
| Open | 353.6 | ||
| Closed | 362.0 | ||
| ATP·Mg2+ | Open | 348.5 | −13.5 |
| 3O8R | 329 | ||