Figure 4.

Distributions of the distances between the strongly interacting pairs in the KcsA channel-ChTX complex. The K27′-Y78 histogram shows the N-O distances for each of the four monomers denoted by A–D. Three H atoms in the amide group make hydrogen bonds with the carbonyls of A, B, and D, while that of C is left free. The elongated tail in the R34′-D80 plot stems from equilibration—this interaction is established shortly after system equilibration and remains associated for the rest of the simulation.