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. Author manuscript; available in PMC: 2016 Nov 1.
Published in final edited form as: Biophys Chem. 2015 Jul 4;206:22–39. doi: 10.1016/j.bpc.2015.06.011

FIG. 4. Transbilayer density profile of molecules in UA Aβ42/lipid/water/ion complexes.

FIG. 4

The number density vs. z distance of the I (initial) (A), II (initial) (B), I (avg) (C) and II (avg) (D) complexes are shown. The non-annular (nAL) and annular (AL) lipid and solvent groups are in dashed and solid lines, respectively. The structural groups are PC-PO4 in red, CHO-ROH in blue and solvent or W in black. The entire protein Aβ42 is in green and the K28- NH3 of Aβ42 in pink. Due to the large density differences among AL and nAL molecules, the number densities of protein and all AL molecules are magnified 10 times while K28-NH3 50 times. The average (avg) was across all repeated replicates for the last 50 ns of the I (C) or II (D) complexes. See Materials and Methods for details in averaging.