Diffusion of hydrophobin proteins in solution and interactions with a graphite surface

<p>Abstract</p> <p>Background</p> <p>Hydrophobins are small proteins produced by filamentous fungi that have a variety of biological functions including coating of spores and surface adhesion. To accomplish these functions, they rely on unique interface-binding properties. Using atomic-detail implicit solvent rigid-body Brownian dynamics simulations, we studied the diffusion of HFBI, a class II hydrophobin from <it>Trichoderma reesei</it>, in aqueous solution in the presence and absence of a graphite surface.</p> <p>Results</p> <p>In the simulations, HFBI exists in solution as a mixture of monomers in equilibrium with different types of oligomers. The oligomerization state depends on the conformation of HFBI. When a Highly Ordered Pyrolytic Graphite (HOPG) layer is present in the simulated system, HFBI tends to interact with the HOPG layer through a hydrophobic patch on the protein.</p> <p>Conclusions</p> <p>From the simulations of HFBI solutions, we identify a tetrameric encounter complex stabilized by non-polar interactions between the aliphatic residues in the hydrophobic patch on HFBI. After the formation of the encounter complex, a local structural rearrangement at the protein interfaces is required to obtain the tetrameric arrangement seen in HFBI crystals. Simulations performed with the graphite surface show that, due to a combination of a geometric hindrance and the interaction of the aliphatic sidechains with the graphite layer, HFBI proteins tend to accumulate close to the hydrophobic surface.</p

A climate risk index for marine life

Climate change is impacting virtually all marine life. Adaptation strategies will require a robust understanding of the risks to species and ecosystems and how those propagate to human societies. We develop a unified and spatially explicit index to comprehensively evaluate the climate risks to marine life. Under high emissions (SSP5-8.5), almost 90% of ~25,000 species are at high or critical risk, with species at risk across 85% of their native distributions. One tenth of the ocean contains ecosystems where the aggregated climate risk, endemism and extinction threat of their constituent species are high. Climate change poses the greatest risk for exploited species in low-income countries with a high dependence on fisheries. Mitigating emissions (SSP1-2.6) reduces the risk for virtually all species (98.2%), enhances ecosystem stability and disproportionately benefits food-insecure populations in low-income countries. Our climate risk assessment can help prioritize vulnerable species and ecosystems for climate-adapted marine conservation and fisheries management efforts