Fig. 2.

Number of atom–atom contacts between ABCA1 and Nef after 50 ns of MD, overall data for 8 complex models. A - ABCA1 residues, B - Nef residues. Color shading shows residues involved in Nef interactions with other cellular proteins. MHC-I and AP-1 interaction sites 66–69 and 76–79 are shown with red; PTE1 interaction site 112–128 is colored green; binding region 152–184 to ATP6V1H is colored yellow; amino acids 168-LL-169 and 178-ED-179, necessary for CD4 internalization are colored light blue; the SH3 binding site 73-PVRPQVPLRP-82 is colored violet. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of this article.)