MemPrO: A Predictive Tool for Membrane Protein Orientation.

Membrane proteins play a vital role in numerous cellular processes, including ion transport, intercellular communication, and antibiotic resistance. Ensuring their accurate orientation within lipid bilayers is essential for reliable molecular simulations and structural analyses. We introduce MemPrO, a robust tool designed to orient a wide range of membrane-associated proteins with precision. While existing tools perform well in standard scenarios, they often struggle with complex configurations such as multibilayer systems or peripheral membrane proteins. MemPrO addresses these limitations by delivering detailed orientation data for proteins in both single and double membrane environments. In addition to mapping spatial arrangements relative to lipid bilayers, MemPrO incorporates advanced analytical features, including membrane curvature analysis. It also extends its capability to predict the position and orientation of the bacterial cell wall. By integrating these features, MemPrO significantly enhances our ability to model and interpret the intricate architecture of cellular envelopes. This supports both fundamental research and the development of novel therapeutic strategies through a deeper understanding of membrane-protein interactions.