Why structural divergence varies among residues in enzyme evolution: contributions of mutation, stability, and activity constraints.

Abstract excerpt

In enzyme evolution, structural divergence varies among residues, forming residue-dependent structural divergence profiles. The evolutionary constraints that determine these profiles remain unclear. We build on the mutation-stability-activity (MSA) model, a mechanistic mutation-selection model previously developed for sequence evolution. In the MSA model, mutations become fixed or are lost depending on their...

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