ZINDO Absorption Energy Calculations.

Energies are given in eV, wavelengths in nm in parentheses. All geometries were optimized within the protein environment using a QM/MM DFT approach. a. Cluster including the chromophore, R92, S/C143, R197, E215, Wat1, and Wat4. b. Anionic in mKateS158A and GmKatepH10, neutral in GmKatepH7. c. Cluster 1 includes the chromophore, R92, R197, E215, and Wat4. d. Cluster 2 includes the chromophore, S/C143, and Wat1.