Compactness has been used to locate discontinuous structural units containing one or more polypeptide chains in proteins of known structure. Rather than exhaustively calculating the compactness of all possible units, our procedure uses a screening algorithm to find discontinuous regions that are potentially compact. Precise calculations of compactness are restricted only to units in these regions. With our procedure, compactness can be used to discover discontinuous domains with virtually any number of disjoint peptides. Small, single-domain proteins may contain several compact regionsthus, compact regions do not always correspond to folding domains.

Because a domain is an independent folding unit and should contain a hydrophobic core, compact units were further examined for the presence of hydrophobic clusters (Zehfus MH, 1995, Protein Sci 41188-1202). This added constraint limits the number of acceptable units and helps greatly in the location of the true structural domains. The larger hydrophobically stabilized compact units correspond to domains, while the smaller units may correspond to folding intermediates.

译文

致密性已用于在已知结构的蛋白质中定位包含一个或多个多肽链的不连续结构单元。我们的程序不是详尽地计算所有可能单元的紧密性,而是使用筛选算法来查找可能紧凑的不连续区域。紧凑度的精确计算仅限于这些区域中的单位。通过我们的程序,紧致性可用于发现具有几乎任何数量的不相交肽的不连续结构域。小的单结构域蛋白质可能包含几个紧凑区域。因此,紧凑区域并不总是对应于折叠结构域。
因为结构域是一个独立的折叠单元,应该包含疏水核心,所以进一步检查了紧凑单元是否存在疏水簇 (Zehfus MH,1995,蛋白质Sci 41188-1202)。此添加的约束限制了可接受单元的数量,并极大地帮助了真正的结构域的位置。较大的疏水稳定的致密单元对应于域,而较小的单元可能对应于折叠中间体。

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