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Figure 8
ABTS diffusion by PELE in the vicinity of the haem propionates. (a, b) Interaction energy versus distance between the haem CHA and the ABTS mass centre (a) and between protonated Gluh35 CG and Asph179 CD (b) during substrate diffusion at the haem-propionate region of C. subvermispora extralong MnP6 (blue) and its in silico shortened-tail form (red), with the haem–ABTS electron-coupling constants at the most favourable positions indicated (circles). Diffusion simulations were performed with PELE (Borrelli et al., 2005 ![]() |