SymProFold - Structural prediction of symmetrical biological assemblies

Abstract

Symmetry in nature often arises from self-assembly processes and serves a function. Our automated pipeline SymProFold leverages the high accuracy of the AlphaFold-Multimer predictions to derive symmetrical assemblies like two-dimensional S-layer arrays or spherical viral capsids from their protein sequence, verified with available experimental data on the cellular level. S-layers, found on many bacterial and archaeal cells, are vital for facilitating cell adhesion, evading the immune system, and providing protection against stress. However, their experimental structural characterization remains challenging because of their self-assembly property and high sequence variability. SymProFold now offers new avenues for exploring functionalities and designing targeted applications in diverse fields like nanotechnology, biotechnology, medicine, and material and environmental sciences.