The setup of all the model systems used in this paper are described below with further details provided in the Supporting Information. Unless otherwise stated, the following applies to all systems simulated: The Amber ff14SB force-field and TIP3P water model were used to describe the protein atoms and water molecules respectively, and relevant starting structures were obtained from the Protein Data Bank. A timestep of 2 fs was used and production MD simulations were performed in an octahedral water box under constant temperature and pressure (298 K and 1 atm).