Figure 6.

Comparison of PR₁, PR_2, and PR_1M interactions with APV. The PR₁ structure is colored by atom type, PR_1M is shown in green bonds with the minor conformations of Ile32 and 32′ in cyan, and PR₂ is colored magenta. Only the major (0.7 occupancy) conformation is shown for APV and PR₁ residues in the wild type complex. Hydrogen bond interactions are shown as dotted lines, hydrophobic interactions are indicated as dashed lines, and CH…π interactions are indicated by dashed arrows. A: Asp30, residues 32 and 47 interactions with aniline of APV. The aniline group and Asp30 have two alternate conformations in PR_1M -APV. The major conformations closely resemble the wild type structure with strong hydrogen bond interactions. The minor conformation (in cyan) has only one hydrogen bond and more hydrophobic interactions with Val47. B: Residue 32′ and 47′ interactions with the THF group of APV. C: Residue 82′ interactions with the P1′ group of APV. [Color figure can be viewed in the online issue, which is available at wileyonlinelibrary.com.]