Fig. 5. Lipid binding affinities. Potentials of mean force (PMFs) were determined for (A) CL vs. other lipids on a CIV CL binding site (IICIV); (B) CL vs. other lipids on a non-CL-binding region (indicated in Fig. 1 and defined in S1,† color coding as in panel A). (C) Native vs. non-native CL: full tailed CL is compared to monolyso-CL (mlCL) and dilyso-CL (dlCL) variants with different charged head groups. Shaded areas indicate the error bars. For mlCL and dlCL, the number of aliphatic tails carried by each glycerol moiety are indicated within brackets. E.g.: dl(1:1)CL(2–) is a dilyso-CL with one acyl chain on each head glycerol moiety and a –2e charge. See Table S3† for a detailed account of the respective values.
