. Author manuscript; available in PMC: 2013 Sep 1.

Published in final edited form as: Arch Biochem Biophys. 2012 May 26;525(1):82–91. doi: 10.1016/j.abb.2012.05.012

Table III. Energy difference (ΔE, (kcal/mol)) and activation energy (E^‡, (kcal/mol)) for the PCET reaction in vacuum. The forward reaction corresponds to PCET from CysSH to TyrO^●, and the backward reaction from TyrOH to CysS^●.

Table III. Energy difference (ΔE, (kcal/mol)) and activation energy (E‡, (kcal/mol)) for the PCET reaction in vacuum. The forward reaction corresponds to PCET from CysSH to TyrO●, and the backward reaction from TyrOH to CysS●.