Figure 1.

Stability of the tA_2AR–detergent complexes. (A) Chemical structures of the detergents used in this study. (B) Comparison of the calculated nonbond energy of the transmembrane (TM) region of tA_2AR (black) and WT-β₂AR (red) in different detergent micelles to the measured apparent T_m. (C) Total enthalpic stability (ΔH) of tA_2AR. The total nonbond energy of the TM regions of tA_2AR is shown, including the energy of receptor–detergent interactions and receptor–water interactions, averaged over the MD trajectories. The total number of sustained (>50% of the MD simulation snapshots) interhelical hydrogen bonds and van der Waals interactions of tA_2AR in different detergent micelles is depicted in the bottom panel.