Capri: uma base de dados para análise comparativa de paradigmas paraprospecção de contatos em interfaces proteína-proteína

Abstract

Studies involving protein structures most often deal with a large amount of information. To understand the process of protein-protein interactions is necessary to study the processes that occur in their molecular interfaces. Interactions can be observed at the residue level, but it is known that they occur in reality at the atomic level. Several paradigms propose different ways to define atomic interactions, and it is known that it is necessary to compare these paradigms to improve our understanding of the molecular interactions allowing to expand our knowledge of the many mechanisms and cellular functions. Thus, we propose herethe CAPRI database for comparative analysis of three different paradigms that are used to define contacts in protein-protein interface. CAPRI has information of about 45,000 protein complexes containing data about interactions between pairs of atoms, residue and chains. Four types of interactions are investigated: hydrogen bonds, hydrophobic interactions, salt bridges and aromatic stacking. The results and the database can be accessed through the link: http://homepages.dcc.ufmg.br/~pmartins/capri1/.