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Detecting local residue environment similarity for recognizing near-native structure models.

Authors
  • Kim, Hyungrae
  • Kihara, Daisuke
Type
Published Article
Journal
Proteins Structure Function and Bioinformatics
Publisher
Wiley (John Wiley & Sons)
Publication Date
Dec 01, 2014
Volume
82
Issue
12
Pages
3255–3272
Identifiers
DOI: 10.1002/prot.24658
PMID: 25132526
Source
Medline
Keywords
License
Unknown

Abstract

We developed a new representation of local amino acid environments in protein structures called the Side-chain Depth Environment (SDE). An SDE defines a local structural environment of a residue considering the coordinates and the depth of amino acids that locate in the vicinity of the side-chain centroid of the residue. SDEs are general enough that similar SDEs are found in protein structures with globally different folds. Using SDEs, we developed a procedure called PRESCO (Protein Residue Environment SCOre) for selecting native or near-native models from a pool of computational models. The procedure searches similar residue environments observed in a query model against a set of representative native protein structures to quantify how native-like SDEs in the model are. When benchmarked on commonly used computational model datasets, our PRESCO compared favorably with the other existing scoring functions in selecting native and near-native models.

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