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(a) Illustration of idiosyncratic activation energy (Ea) used in the analysis, defined as the height from the reactant (R), i.e. the MD snapshot, to the top of the PES; (b,c) activation energy for proton transfer versus d(O2–H1) for the α2β2-heterotetramer and the β-monomer, respectively. The grey circles indicate the potential energy profiles shown in figure 3.
