Table 1. The free energies for the chorismate → prephenate reaction in both water and TtCM (kcal/mol).

Free energies	Water	TtCM
	0.00	0.00
	8.06	0.05
	8.06	0.05
	22.31	12.38
	24.5	15.4
		8.01
		9.93
		9.1
ΔΔGTS		1.92
		80.6%
		88.0%

The superscripts min, o, and ‡ designate the minimum of the free energy profile, standard free energy, and free energy of the activation for the reaction, respectively. The superscripts (E) and (W) stand for the free energy change in enzyme and water, respectively. The subscripts calc and exp represent the computed and experimental values. ξ, ξ′, and ξ″ denote the positions of TS, NAC, and GS along the reaction coordinates.