Lanthipeptide structure prediction and design with Rosetta

Lathipeptides, a class of ribosomally synthesized and post - translationally modified peptides, naturally have a range of different bioactivities, in particular antibacterial activity. They can also be selected or designed to bind specific protein targets. Due to their natural bioactivity and engineerability, lanthipeptides are a promising class of peptides for drug discovery. But there is a lack of computational modeling tools for lanthipeptides, which limits understanding of lanthipeptide structure-activity relationships and rational design of lanthipeptides. Rosetta is a software suite for modeling and designing proteins and peptides. Recently, we added support to Rosetta for modeling of lanthipeptides, enabling application of Rosetta methodology to lanthipeptide structure prediction and design. In this tutorial we explain how to model and design lanthipeptides in Rosetta.