Skip to main content
. 2013 Feb 6;3:1218. doi: 10.1038/srep01218

Figure 5. Radial distribution functions (RDFs) of water around the lysozyme.

Figure 5

RDFs of water around the COM of the lysozyme in the Lyz-Tr(aq) system (black lines with gray shading to baseline) and in the Lyz(aq) system (red lines). We present the results at all three investigated temperatures (a) T = 300 K, (b) T = 280 K and (c) T = 260 K. The RDF at T = 300 K for Lyz-Tr(aq) is reported in the bottom panel for comparison (dashed line). The blue vertical lines mark the minor and major semi-axes (13 Å and 22.5 Å) of the approximately elliptical shape of the lysozyme. Inset: pictorial representation of a 20 Å × 60 Å × 85 Å cut of the simulation box of the Lyz-Tr(aq) mixture. The lysozyme is represented by a cartoon highlighting of the secondary structure, trehalose molecules by orange bond sticks and water molecules by the blue spheres. The blue circles have radii corresponding to the minor and major semi-axes of lysozyme.