As detailed above, interactions of the PEtN donor substrate POPE were investigated with the various forms of MCR-1. As a starting point for these simulations, POPE was modelled into the MCR-1 active site, with the position of one of the two acyl tails based upon the position of the acyl chain of the dodecyl-beta-d-maltoside (DDM) detergent molecule in the N. meningitidis EptA structure .