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. Author manuscript; available in PMC: 2022 Apr 13.
Published in final edited form as: J Chem Theory Comput. 2021 Mar 30;17(4):2054–2064. doi: 10.1021/acs.jctc.0c01244

Figure 1. Amino acid sequence variation and distribution in the HIV-1 protease variants.

Figure 1

a) Sequence logo showing all residues with one or more amino acid substitution. b) Structure of HIV-1 in complex with darunavir (PDB ID: 6dgx). Protease shown as light blue cartoon. Sites of mutations highlighted in purple. Inhibitor and the catalytic aspartic acids displayed as sticks c) Hierarchical clustering of the HIV-1 protease variants according to sequence identity. Dendrogram shown on the left, dissimilarity matrix in the center, and darunavir potency for each variant shown on the right.