Secondary structure assignment that accurately reflects physical and evolutionary characteristics

Background: Secondary structure is used in hierarchical classification of protein structures, identification of protein features, such as helix caps and loops, for fold recognition, and as a precursor to ab initio structure prediction. There are several methods available for assigning secondary structure if the three-dimensional structure of the protein is known. Unfortunately they differ in their definitions, particularly in the exact positions of the termini. Additionally, most existing methods rely on hydrogen bonding, which means that important secondary structural classes, such as isolated -strands and poly-proline helices cannot be identified as they do not have characteristic hydrogen-bonding patterns. For this reason we have developed a more accurate method for assigning secondary structure based on main chain geometry, which also allows a more comprehensive assignment of secondary structure. Results: We define secondary structure based on a number of geometric parameters. Hel...

• Type: Journal
• Year: 2005
• Where: BMCBI
• Authors: Maria Vittoria Cubellis, Fabien Cailliez, Simon C. Lovell
• Keywords: BMCBI 2005, Helix Caps, Initio Structure Prediction, Secondary Structure