title: eProS--a database and toolbox for investigating protein sequence-structure-function relationships through energy profiles.
abstract: Gaining information about structural and functional features of newly identified proteins is often a difficult task. This information is crucial for understanding sequence-structure-function relationships of target proteins and, thus, essential in comprehending the mechanisms and dynamics of the molecular systems of interest. Using protein energy profiles is a novel approach that can contribute in addressing such problems. An energy profile corresponds to the sequence of energy values that are derived from a coarse-grained energy model. Energy profiles can be computed from protein structures or predicted from sequences. As shown, correspondences and dissimilarities in energy profiles can be applied for investigations of protein mechanics and dynamics. We developed eProS (energy profile suite, freely available at http://bioservices.hs-mittweida.de/Epros/), a database that provides ∼76 000 pre-calculated energy profiles as well as a toolbox for addressing numerous problems of structure biology. Energy profiles can be browsed, visualized, calculated from an uploaded structure or predicted from sequence. Furthermore, it is possible to align energy profiles of interest or compare them with all entries in the eProS database to identify significantly similar energy profiles and, thus, possibly relevant structural and functional relationships. Additionally, annotations and cross-links from numerous sources provide a broad view of potential biological correspondences.
authors.affiliation: Department of Mathematics, University of Applied Sciences Mittweida, Mittweida, Saxony, Technikumplatz 17, D-09648, Germany. florian.heinke@hs-mittweida.de
authors.forename: Florian
authors.initials: F
authors.lastname: Heinke
authors.forename: Stefan
authors.initials: S
authors.lastname: Schildbach
authors.forename: Daniel
authors.initials: D
authors.lastname: Stockmann
authors.forename: Dirk
authors.initials: D
authors.lastname: Labudde
mesh_terms: D000595:Amino Acid Sequence; D030562:Databases, Protein; D020407:Internet; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism; D012984:Software; D013329:Structure-Activity Relationship
chemical_list: D011506:Proteins