Proteus: An algorithm for proposing stabilizing mutation pairs based on interactions observed in known protein 3D structures

摘要

Composition of triad pairs. Amino acids that could make interactions are called n and n’. The anterior and posterior are called n-1 and n + 1 for n, and n’-1 and n’ + 1 for n’. In this example, the amino acid F86 (PDB ID: 1LGY:A) is not performing interactions with I90 (PDB ID: 1LGY:A), but they are in a cutoff distance position that could allow interactions if they were changed. The anterior and posterior are S85 and R87 (F86), and A89 and T91 (I90). The Proteus’ basic assumption is that is possible to trade the amino acids n and n’ to another amino acid pair if the main chain of triad pairs of target and template protein were conserved