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. 2021 Oct 14;10(10):2183. doi: 10.3390/plants10102183

Figure 6.

Figure 6

Amino acids contributing to the DENV2, YFV, and WNV NS2B/NS3pro–HSD interaction. The decomposition energies of amino acids that participated in the interaction with HSD are based on the MD simulations. Coordination of HSD in the protease binding region and overlay of the HSD replicas 1 and 2; (A) DENV2 NS2B/NS3pro–HSD interaction; (B) YFV NS2B/NS3pro–HSD interaction; (C) WNV NS2B/NS3pro–HSD interaction. Amino acid residues with an energy decomposition < −1 kcal/mol are considered.