Figure 5.

Ligand interaction diagrams of CPK4 (A), CPK13 (B), CPK16 (C), CPK18 (D), and CPK20 (E) in complex with EMhKCNT1_110–354. Only residues interacting with the ligand for at least 72 out of 480 ns of MD simulation are shown. Residues are colored according to the following scheme: Cyan, polar; green, hydrophobic; gray, water molecule. Gray halos highlight solvent exposure. H-bonds are represented by magenta arrows (dashed when side-chain atoms are involved, solid in the case of backbone atoms involvement); green solid lines represent π–π stacking interactions.