Table 4.

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