Table 3.

Clockwise closure of mutation cycle shown in Fig. 1 (kcal/mol)

FF	Trypsin	Thrombin	uPA	Water
QMPFF3	−0.3 (6)	−0.3 (6)	0.4 (5)	0.1 (5)
MMFF	0.1 (4)	−0.3 (5)	−0.4 (4)	0.0 (3)

Errors here and in Table 2 are obtained from errors of the individual mutation steps given in Table 1 considered as statistically independent.