Representative trypsin-catechin complex structures.

Abstract

<p>Representative structure models clustered from MD simulation trajectories for trypsin complex with a) EC, b) EGC, c) ECG and d) EGCG. Catechins are shown as ball-and-stick model, trypsin as cartoon. The catalytic triad (Asp102, His57, Ser195) is shown in stick. Residues interact with catechins by hydrogen bond and hydrophobic interaction highlighted by lines.</p