ANALYSIS OF PROTEIN CIRCULAR-DICHROISM SPECTRA FOR SECONDARY STRUCTURE USING A SIMPLE MATRIX MULTIPLICATION
ANALYSIS OF PROTEIN CIRCULAR-DICHROISM SPECTRA FOR SECONDARY STRUCTURE USING A SIMPLE MATRIX MULTIPLICATION
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DOI：
10.1016/0003-2697(86)90241-1
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发表时间：
1986-05-15
影响因子：
2.9
通讯作者：
JOHNSON, WC
中科院分区：
文献类型：
--
作者：
COMPTON, LA;JOHNSON, WC
为蛋白质的五个主要二级结构中的每一个都提出了反圆二色性（CD）光谱：.alpha.-螺旋，反平行和平行.beta.-sheet.beta.-beta.-turn和其他（随机）结构。蛋白质中每个二级结构的分数是通过形成相应的反向CD频谱的点产物（以载体表示）的，并以相同方式数字化的蛋白质频谱。我们展示了该方法是基于从X射线晶体学中知道的一组蛋白质的一组CD光谱的奇异值分解的广义倒数。这些逆光谱直接从蛋白质CD光谱中计算二级结构，而无需求助于最小二乘拟合和标准矩阵反转技术。此外，与合成多肽的CD光谱相对应的与单个二级结构相对应的光谱是由五个最重要的CD特征向量产生的。
Inverse circular dichroism (CD) spectra are presented for each of the five major secondary structures of proteins: .alpha.-helix, antiparallel and parallel .beta.-sheet, .beta.-turn, and other (random) structures. The fraction of the each secondary structure in a protein is predicted by forming the dot product of the corresponding inverse CD spectrum, expressed as a vector, with the CD spectrum of the protein digitized in the same way. We show how this method is based on the construction of the generalized inverse from the singular value decomposition of a set of CD spectra corresponding to proteins whose secondary structures are known from X-ray crystallography. These inverse spectra compute secondary structure directly from protein CD spectra without resorting to least-squares fitting and standard matrix inversion techniques. In addition, spectra corresponding to the individual secondary structures, analogous to the CD spectra of synthetic polypeptides, are generated from the five most significant CD eigenvectors.