Fig. 5


Time evolution of hydrogen bonds and hydrophobic contacts between the favipiravir-RMP and HGPRT. The figures indicate the number of hydrogen bonds (involving either the backbone or side chain) and the number of hydrophobic contacts (A–D). (A) HGPRT wild-type (Run 4), (B) HGPRT T138A (Run 3), (C) HGPRT K140M (Run 1), (D) HGPRT T138A (Run 1; calculated as Lys-anchored escaped state).