Fig 3. Li_αIA1 and Ll_αIII1 bound to POPC and POPC:PSM:CHOL (70:20:10).
A) Electron density plots for Li_αIA1, Ll_αIII1 and St_βIB1 on the POPC bilayer (top row) or on the POPC:PSM:CHOL bilayer (bottom row), replica 1 (solid lines) and replica 2 (dashed lines). The densities for the POPC and POPC:PSM:CHOL bilayers are represented in light blue and green, respectively. The density distributions for the proteins are represented in orange (Li_αIA1), pink (Ll_αIII1) and dark blue (St_βIB1). B) Bound orientation of Li_αIA1 on a pure POPC bilayer. C) Binding orientation of Ll_αIII1 on a POPC:PSM:CHOL bilayer. D) Depth of anchorage of Li_αIA1 into the POPC bilayer. The depth is calculated for each amino acid as the distance between its C-alpha and the phosphate plane in the last frame of simulation (relevant values are given in Tables A and B in S2 Text).