Finally, we analyzed the putative additional water presence in the simulations near the conserved water side on the back of the SII-P, where side chain of Val9 is located. The minimum water distance analysis suggests that there is an increased preference for water in this location with "compound 5B" and G12Si-1, compared to other systems (Figure ). Indeed, WaterMap predicted an adjacent hydration site for "compound 5B" (Table , Figure ), but the same was not observed for G12Si-1 (Figure ). The water existence (and the vacant space for it) near