Fig. 3.

Top views of two DRN metrics mapped in two highly drug resistant HIV protease mutants. Averaged BC is shown as a “spacefill” representation in a common color scale for panels (A) and (B); while averaged EC is shown as a “cartoon” representation in panels (C) and (D) – as obtained from MDM-TASK-web. Panel (A) shows a DRV-bound multi-drug (highly) resistant HIV protease, and panel (B) shows another, TPV-bound multi-drug resistant HIV protease, for which DRV is still effective. A color gradient ranging from pale yellow to red in the top and bottom panels, is used to represent low to high centrality values. Non-protein portions are colored blue. The flap residue 54 (numbered 153 in chain B) is circled and highlighted in the top panels, showing the decreased averaged BC in the DRV-susceptible mutant, where the residue had mutated. Panels (C) and (D) make visible inner details of averaged EC at the core of the proteases, hinting at the highly central catalytic aspartate by black arrows. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of this article.)