title: A procedure for the automatic determination of hydrophobic cores in protein structures.
abstract: An algorithm is described for automatically detecting hydrophobic cores in proteins of known structure. Three pieces of information are considered in order to achieve this goal. These are: secondary structure, side-chain accessibility, and side-chain-side-chain contacts. Residues are considered to contribute to a core when they occur in regular secondary structure and have buried side chains that form predominantly nonpolar contacts with one another. This paper describes the algorithm's application to families of proteins with conserved topologies but low sequence similarities. The aim of this investigation is to determine the efficacy of the algorithm as well as to study the extent to which similar cores are identified within a common topology.
authors.affiliation: Protein Engineering Research Institute, Osaka, Japan.
authors.forename: M B
authors.initials: MB
authors.lastname: Swindells
mesh_terms: D000465:Algorithms; D000595:Amino Acid Sequence; D003196:Computer Graphics; D003580:Cytochromes / Q000737:chemistry; D004895:Erythrina / Q000737:chemistry; D016222:Fibroblast Growth Factor 2 / Q000737:chemistry; D005914:Globins / Q000737:chemistry; D006422:Hemerythrin / Q000737:chemistry; D007136:Immunoglobulins / Q000737:chemistry; D007375:Interleukin-1 / Q000737:chemistry; D008969:Molecular Sequence Data; D010940:Plant Proteins / Q000737:chemistry; D010946:Plants, Medicinal; D010970:Plastocyanin / Q000737:chemistry; D017510:Protein Folding; D017433:Protein Structure, Secondary; D017434:Protein Structure, Tertiary; D011506:Proteins / Q000737:chemistry*; D016415:Sequence Alignment; D014361:Trypsin Inhibitors; D000516:alpha-Amylases / Q000037:antagonists & inhibitors
chemical_list: D003580:Cytochromes; D006422:Hemerythrin; D007136:Immunoglobulins; D007375:Interleukin-1; D010940:Plant Proteins; D011506:Proteins; D014361:Trypsin Inhibitors; D016222:Fibroblast Growth Factor 2; D005914:Globins; D010970:Plastocyanin; D000516:alpha-Amylases