FIGURE 7.

A, chemical groups of B2088 and DPC found in close proximity with the peptide solubilized in DPC/POPG micelles. Dashed red lines represent hydrogen bonds between the DPC PO₄ group and Arg/Lys side chains. An arrow represents NOEs observed in the NOESY spectrum between Val ¹H_α and DPC ¹H_β (supplemental Fig. S4). PO₄ groups are shown in yellow. Arg guanidinium groups are shown in green, and the NH₃⁺ groups of Lys are shown in cyan. BI and BII, MD simulations of B2088 in lipid bilayer and DPC/POPG micelles, respectively. CI and CII, chemical shifts as a function of pH for ¹H^N of Arg-13 and ¹H^α of DPC, respectively. The fitted titration curves and the numerical first derivatives are shown.