Figure 8. Loss of hydrophobic packing around in the X-loop in Y218N simulations. (A) Relevant residues involved in X-loop packing interactions are shown in sticks for simulation 2 of WT, Y218N, and E196K (B) Number of atom contacts between residues Y163, M166, Y169, F175, Y/N218, and Y225. Window averages (100 ps) of number of atom contacts are shown for all mutant simulations. The average number of atom contacts of the last 25 ns of the WT simulations is shown in dashed lines.