TABLE I.

Components of entropy and total enthalpy for water in bulk phase and in wildtype or mutated AQP channels. The uncertainties are computed by block averaging equilibrium trajectories (5 datasets each 2 ns).

	Translational entropy (J/mol K)	Rotational entropy (J/mol K)	Total entropy (J/mol K)	Total enthalpy kJ/mol
Bulk water	53.1 ± 0.72	8.22 ± 0.87	61.32 ± 1.29	−36.17 ± 0.1
Wildtype AQP	48.3 ± 0.99	17.72 ± 0.94	66.02 ± 1.44	−35.56 ± 0.34
Mutated AQP	44.91 ± 0.81	6.11 ± 0.77	51.02 ± 1.28	−36.43 ± 0.48