Fig. 3

LsAMP-1 may stably interact with PIP2. The top-most part of this figure shows 3D representations of LsAMP-1-PIP2 binding pose at the last frame of the MD simulation. LsAMP-1 is depicted as ribbons (left-side,) and in terms of its hydrophobic surface (right-side), which is colored from red to blue according to hydrophobicity, where red represents hydrophobic residues. In both cases, hydrogen bonds are marked with dashed lines. At the bottom, a root mean square deviation (RMSD) plot of the defensin mean backbone variation against heavy atoms of PIP2 across 200 ns of MD simulation (left-side); and a 2D representation of LsAMP-1/PIP2, indicating hydrogen bonds (dashed lines) and hydrophobic interactions (green lines) (left-side)