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.
Abstract. Proteins are macromolecules that facilitate virtually every biological process. Information on functional and structural characteristics of proteins is invaluable in life sciences, but remain difficult to obtain, both computationally and experimentally.In recent work, we have introduced a novel method for functional characterization, which we refer to as protein energy profiling. The eProS (energy profile suite) is an online knowledgebase, toolbox and database that provides a webspace for protein energy profile analyses to the scientific community. The objective of eProS is to offer a free-for-all repository of energy profile data, annotations, visualizations, as well as tools that can aid in deducing relations complementing and supporting findings made by traditional bioinformatics methods.In this paper, we discuss the underlying biological and theoretical backgrounds used by implemented methods and tools, and also introduce recent enhancements and developments. eProS is available at http://bioservices.hs-mittweida.de/Epros.
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