Table 2.
HSA structural quantities
| Quantity | Description | Units |
|---|---|---|
| Nnbr | Average # first shell neighbors | None |
| NwwHB | Average # water-water hydrogen bonds | None |
| NswHB | # solute-water hydrogen bonds | kcal/mol |
| EnbrWW | Average water-water interaction energy by neighbor | Kcal/nbr |
| NwwHB,don | # water-water hydrogen bonds donated | None |
| NwwHB,acc | # water-water hydrogen bonds accepted | None |
| NswHB,don | # solute-water hydrogen bonds donated | None |
| NswHB,acc | # solute-water hydrogen bonds accepted | None |
| fwwHB | Fraction of hydrogen-bonded neighbors | None |