NEW HYDROPHILICITY SCALE DERIVED FROM HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHY PEPTIDE RETENTION DATA - CORRELATION OF PREDICTED SURFACE RESIDUES WITH ANTIGENICITY AND X-RAY-DERIVED ACCESSIBLE SITES
NEW HYDROPHILICITY SCALE DERIVED FROM HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHY PEPTIDE RETENTION DATA - CORRELATION OF PREDICTED SURFACE RESIDUES WITH ANTIGENICITY AND X-RAY-DERIVED ACCESSIBLE SITES
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DOI：
10.1021/bi00367a013
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发表时间：
1986-09-23
期刊：
影响因子：
2.9
通讯作者：
HODGES, RS
中科院分区：
文献类型：
--
作者：
PARKER, JMR;GUO, D;HODGES, RS
提出了一套新的亲水性高效液相色谱参数。这些参数来源于20种模型合成肽Ac-Gly-X-X-（Leu）3-（Lys）2-酰胺的保留时间，其中X被蛋白质中发现的20种氨基酸取代。由于亲水性参数已被广泛用于预测哪些氨基酸残基是抗原性的算法，我们比较了我们的新的一组亲水性HPLC参数产生的配置文件在相同的规模作为其他九组参数。一般而言，发现本研究中获得的HPLC参数与抗原性相关性最好。此外，还显示了用于预测抗原性的三个最佳参数的组合进一步改善了预测。然后将这些预测的表面位点，或者换句话说，亲水的、可接近的或移动的区域与来自免疫学研究的已知抗原位点和通过几种蛋白质的X射线晶体学数据确定的可接近位点相关联。
A new set of hydrophilicity high-performance liquid chromatography (HPLC) parameters is presented. These parameters were derived from the retention times of 20 model synthetic peptides, Ac-Gly-X-X-(Leu)3-(Lys)2-amide, where X was substituted with the 20 amino acids found in proteins. Since hydrophilicity parameters have been used extensively in algorithms to predict which amino acid residues are antigenic, we have compared the profiles generated by our new set of hydrophilic HPLC parameters on the same scale as nine other sets of parameters. Generally, it was found that the HPLC parameters obtained in this study correlated best with antigenicity. In addition, it was shown that a combination of the three best parameters for predicting antigenicity further improved the predictions. These predicted surface sites or, in other words, the hydrophilic, accessible, or mobile regions were then correlated to the known antigenic sites from immunological studies and accessible sites determined by X-ray crystallographic data for several proteins.