Distance of π-sigma interaction between Glu304 and each compound.

<p>Distance of compound <b>12</b> with β-carbon and γ-carbon of Glu304 is represented by blue and red lines, respectively (upper left). Distance between γ-carbon of Glu304 and compound <b>12</b> is shown as green line (upper right). These three distance values are compared during the simulation time (bottom). The threshold of π-sigma interaction is highlighted by green dotted box.