Table 1

Coefficient of correlation between theoretical and experimental Φ values

ProteinComputed transition state with lowest free energyComputed ensemble of all transition statesNo. of points (Fig. 3) used for Φexpteor comparison
C120.500.5637
Barnase0.190.5429
CheY0.590.5017
Ser SH30.00−0.0214
α-sp.SH30.540.396
Average0.360.4621.2