QHELIX: A Computational Tool for the Improved Measurement of Inter-Helical Angles in Proteins |
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Authors: | Hui Sun Lee Jiwon Choi Sukjoon Yoon |
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Institution: | (1) Department of Biological Sciences, Research Center for Women’s Diseases (RCWD), Sookmyung Women’s University, Hyochangwongil 52, Yongsan-gu, Seoul, 140-742, Republic of Korea |
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Abstract: | Knowledge about the assembled structures of the secondary elements in proteins is essential to understanding protein folding
and functionality. In particular, the analysis of helix geometry is required to study helix packing with the rest of the protein
and formation of super secondary structures, such as, coiled coils and helix bundles, formed by packing of two or more helices.
Here we present an improved computational method, QHELIX, for the calculation of the orientation angles between helices. Since
a large number of helices are known to be in curved shapes, an appropriate definition of helical axes is a prerequisite for
calculating the orientation angle between helices. The present method provides a quantitative measure on the irregularity
of helical shape, resulting in discriminating irregular-shaped helices from helices with an ideal geometry in a large-scale
analysis of helix geometry. It is also capable of straightforwardly assigning the direction of orientation angles in a consistent
way. These improvements will find applications in finding a new insight on the assembly of protein secondary structure.
Electronic Supplementary Material The online version of this article (doi:) contains supplementary material, which is available to authorized users. |
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Keywords: | Helical axis Inter-helical angle Protein structure QHELIX computational tool |
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