VAIRO

AlphaFold structural predictions, approaching experimental accuracy, start from a database search powered by genomics. These sequence-specific data apprehend all potential inter- and intramolecular interactions, encompassing different mechanistic states. Our method improves the resulting models by including prior knowledge, through site-specific variants, predefined alignments and templates. VAIRO allows to rescue weaker interactions to complete the view of molecular assemblies in the architecture of a bacterial surface layer and reveals otherwise inaccessible dynamic states in a pneumococcal multimeric membrane protein complex. Supplementary data containing the cases can be downloaded from here.