A structural informatics study on collagen

The study integrates knowledge resulting from structure–activity relationships analysis of amino acids with respect to the characterization of a1 and a2 type I collagen chains. Specifically, 15 amino acids and 14 properties were investigated and their structure–activity relationship models were obtained. The models were integrated into a web application and were used to predict the properties of a set of six amino acids. The similari-ties in a1 and a2 type I collagen chains has been investigated starting from the observed and pre-dicted properties of amino acids by using two-step cluster analysis. Key words: amino acids, structure–activity relationships, type I col-lage