期刊
STRUCTURE
卷 15, 期 1, 页码 7-19出版社
CELL PRESS
DOI: 10.1016/j.str.2006.11.008
关键词
-
资金
- NCRR NIH HHS [P20 RR020647, P41 RR002250, P20RR020647, P41RR02250] Funding Source: Medline
An increasing number of structural studies of large macromolecular complexes, both in Xray crystallography and cryo-electron microscopy, cave resulted in intermediate-resolution (5-10 angstrom) density maps. Despite being limited in resolution, significant structural and functional information may be extractable from these maps. To aid in the analysis and annotation of these complexes, we have developed SSEhunter, a tool for the quantitative detection of alpha helices and beta sheets. Based on density skeletonization, local geometry calculations, and a template-based search, SSEhunter has been tested and validated on a variety of simulated and authentic subnanometer-resolution density maps. The result is a robust, user-friendly approach that allows users to quickly visualize, assess, and annotate intermediate-resolution density maps. Beyond secondary structure element identification, the skeletonization algorithm in SSEhunter provides secondary structure topology, which is potentially useful in leading to structural models of individual molecular components directly from the density.
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