Table 2.

Absolute Free Energies for Alanine

	Alanine in Water	Alanine in E115_Inward Occluded	Alanine in E115_Inward Open	Alanine in E115H_Inward Occluded	Alanine in E115H_Inward Open
ΔG	−47.73 ± 0.01	−5.89 ± 0.04	−5.55 ± 0.07	−5.67 ± 0.08	−5.27 ± 0.14

All energies in kcal/mol ± SD. Errors are estimated by MBAR under error propagation (see Methods).