Rahmelow K, Hübner W, Ackermann T
Institut für Physikalische Chemie, Albert-Ludwigs Universität, Freiburg, Germany.
Anal Biochem. 1998 Mar 1;257(1):1-11. doi: 10.1006/abio.1997.2502.
The spectral parameters of amino acid residue side chain and peptide bond absorptions in the region 1800-1440 cm-1 have been obtained by using an inverse matrix method applied to the infrared spectra of 42 amino acids, dipeptides, and higher peptides in aqueous solution. In addition the pH-dependent extinction coefficients of the amino acid and peptide COO-/NH3+ end groups were derived. It is shown that the secondary structure prediction accuracy of proteins by multivariate data analysis methods increases slightly, if the side chain absorbances of the residues asparagine, glutamine, aspartic acid, glutamic acid, arginine, tyrosine, and lysine are subtracted from the amide I and amide II region.
通过将逆矩阵方法应用于42种氨基酸、二肽和高级肽在水溶液中的红外光谱，获得了1800 - 1440 cm-1区域内氨基酸残基侧链和肽键吸收的光谱参数。此外，还推导了氨基酸和肽的COO-/NH3+端基的pH依赖性消光系数。结果表明，如果从酰胺I和酰胺II区域减去天冬酰胺、谷氨酰胺、天冬氨酸、谷氨酸、精氨酸、酪氨酸和赖氨酸残基的侧链吸光度，通过多变量数据分析方法预测蛋白质二级结构的准确性会略有提高。
