Rosetta FunFolDes – A general framework for the computational design of functional proteins
Fig 3
Assessment of FunFolDes sequence sampling quality.
A) HMM Sequence Recovery measures the percentage of decoys generated that can be assigned to the original HMM from the CATH superfamily. FunFolDes consistently outperforms cst–ab initio, in agreement with the structural recovery metrics. B) Core Residues Sequence Recovery shows the sequence recovery between the core residues of the designs set and the target. Recovery is measured in terms of sequence identity and sequence similarity (as assigned through BLOSUM62). Core sequence identity and similarity was assessed over the structure-based fragment set. According to this metric FunFolDes outperforms cst-ab initio in every instance, reaching for some populations, levels of conservation similar to those found in more restrained flexible-backbone design approaches [10].