Wetting of the G-loop gate and inner cavity. (A) Left: Two subunits of the gate region in the crystal structure (PDB accession no. 3SYA); middle: water occupancy along the pore over simulation time; every blue dot represents a water molecule; for orientation, the centers of mass of the pore-facing hydrophobic residues M319, F192, and V188 are plotted in black. Right: Average occupancy (per 1 Å) of water molecules along the pore axis during the same 0.2-µs run (200ns_run8). (B) Example run (1µs_run1) with applied electric field; the left side shows the conformation of the gate region after 1 µs.