Skip to main content
. Author manuscript; available in PMC: 2017 Sep 1.
Published in final edited form as: Biochim Biophys Acta. 2016 Jun 16;1857(9):1594–1606. doi: 10.1016/j.bbabio.2016.06.005

Figure 3.

Figure 3

Left: DFT energies for proton transfer and proton uptake from the N-side of the membrane (A’/B/B2 = cluster model + H+ at pH = 7) to His376 (D). The initial step is a proton transfer from Asp372 to PRAa3 (B). Protonation of His376 can occur either before proton uptake (B2) or after proton uptake (C’). The labels correspond to the nomenclature in Table 1 and Figure 1. The prime indicates δ-protonation in place of ε-protonation of His376. Right: complete DNC cluster model for State A’.