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Regression analysis of multiple protein structures

Publication ,  Journal Article
Wu, TD; Hastie, T; Schmidler, SC; Brutlag, DL
Published in: Proceedings of the Annual International Conference on Computational Molecular Biology, RECOMB
January 1, 1998

A general framework is presented for analyzing multiple protein structures. A family of related protein structures may be analyzed using statistical regression methods. The analysis requires alternating steps of finding correspondences among the protein structures and superimposing the corresponding landmarks. The superposition step may be performed using either affine or orthogonal transformations, thereby allowing protein structures to undergo either pure rotations or rotation plus shear operations. Regression analysis permits a separate weight for each position, allowing one to emphasize particular segments of a protein structure or to compensate for variances that differ at various positions in a structure. In addition, a novel method is introduced for finding an initial correspondence, based on matching discrete curvatures along the protein backbone. Another novel method is introduced for obtaining gap functions that adapt to the given data, thereby making dynamic programming methods more robust. An example is presented involving a set of seven globin structures. Regression analysis, using both affine and orthogonal transformations, reveals that globins are most strongly conserved structurally in the mid-regions of the E and G helices.

Duke Scholars

Published In

Proceedings of the Annual International Conference on Computational Molecular Biology, RECOMB

DOI

Publication Date

January 1, 1998

Start / End Page

276 / 284
 

Citation

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Wu, T. D., Hastie, T., Schmidler, S. C., & Brutlag, D. L. (1998). Regression analysis of multiple protein structures. Proceedings of the Annual International Conference on Computational Molecular Biology, RECOMB, 276–284. https://doi.org/10.1145/279069.279132
Wu, T. D., T. Hastie, S. C. Schmidler, and D. L. Brutlag. “Regression analysis of multiple protein structures.” Proceedings of the Annual International Conference on Computational Molecular Biology, RECOMB, January 1, 1998, 276–84. https://doi.org/10.1145/279069.279132.
Wu TD, Hastie T, Schmidler SC, Brutlag DL. Regression analysis of multiple protein structures. Proceedings of the Annual International Conference on Computational Molecular Biology, RECOMB. 1998 Jan 1;276–84.
Wu, T. D., et al. “Regression analysis of multiple protein structures.” Proceedings of the Annual International Conference on Computational Molecular Biology, RECOMB, Jan. 1998, pp. 276–84. Scopus, doi:10.1145/279069.279132.
Wu TD, Hastie T, Schmidler SC, Brutlag DL. Regression analysis of multiple protein structures. Proceedings of the Annual International Conference on Computational Molecular Biology, RECOMB. 1998 Jan 1;276–284.

Published In

Proceedings of the Annual International Conference on Computational Molecular Biology, RECOMB

DOI

Publication Date

January 1, 1998

Start / End Page

276 / 284