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首页> 外文会议>Pacific symposium on biocomputing >THE PROTEIN NON-FOLDING PROBLEM: AMINO ACID DETERMINANTS OF INTRINSIC ORDER AND DISORDER
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THE PROTEIN NON-FOLDING PROBLEM: AMINO ACID DETERMINANTS OF INTRINSIC ORDER AND DISORDER

机译：蛋白质非折叠问题：内在秩序和病症的氨基酸决定簇

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To investigate the determinants of protein order and disorder, three primary and one derivative database of intrinsically disordered proteins were compiled. The segments in each primary database were characterized by one of the following: X-ray crystallography, nuclear magnetic resonance (NMR), or circular dichroism (CD). The derivative database was based on homology. The three primary disordered databases have a combined total of 157 proteins or segments of length * 30 with 18,010 residues, while the derivative database contains 572 proteins from 32 families with 52,688 putatively disordered residues. For the four disordered databases, the amino acid compositions were compared with those from a database of ordered structure. Relative to the ordered protein, the intrinsically disordered segments in all four databases were significantly depleted in W, C, F, I, Y, V, L and N, significantly enriched in A, R, G, Q, S, P, E and K, and inconsistently different in H, M, T, and D, suggesting that the first set be called order-promoting and the second set disorder-promoting. Also, 265 amino acid properties were ranked by their ability to discriminate order and disorder and then pruned to remove the most highly correlated pairs. The 10 highest-ranking properties after pruning consisted of 2 residue contact scales, 4 hydrophobicity scales, 3 scales associated with *-sheets and one polarity scale. Using these 10 properties for comparisons of the 3 primary databases suggests that disorder in all 3 databases is very similar, but with those characterized by NMR and CD being the most similar, those by CD and X-ray being next, and those by NMR and X-ray being the least similar.
机译：为了研究蛋白质秩序和病症的决定因素，编制了三种初级和一个衍生物的蛋白质衍生物数据库。每个主要数据库中的段的特征在于以下之一：X射线晶体学，核磁共振（NMR）或圆形二色（CD）。衍生数据库基于同源性。三个主要无序数据库的总和157个蛋白质或长度为18,010个残基的蛋白质或段，而衍生物数据库含有572个来自32个家族的蛋白质，具有52,688个患者残留物。对于四种无序数据库，将氨基酸组合物与来自有序结构的数据库进行比较。相对于有序蛋白质，所有四个数据库中的本质上无序的段在W，C，F，I，Y，V，L和N中显着耗尽，显着富集在A，R，G，Q，S，P，E和K，在H，M，T和D中不一致地不同，表明第一组被称为秩序促进和第二种紊乱促进。此外，通过其辨别秩序和病症的能力排序265个氨基酸性能，然后修剪以除去最高度相关的对。修剪后的10个最高排名特性由2个残留的接触尺度组成，4个疏水性尺度，3个尺度与* - 表格和一个极性刻度相关。使用这10个属性进行3个主要数据库的比较表明，所有3个数据库中的疾病都非常相似，但是与NMR和CD表征的那些是最相似的，那些通过CD和X射线的下一步，以及由NMR和NMR的那些X射线是最不相似的。

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