Kolinski A, Skolnick J, Godzik A, Hu W P
Scripps Research Institute, Department of Molecular Biology, La Jolla, California, USA.
Proteins. 1997 Feb;27(2):290-308.
A simple method for predicting the location of surface loops/turns that change the overall direction of the chain that is, "U" turns, and assigning the dominant secondary structure of the intervening transglobular blocks in small, single-domain globular proteins has been developed. Since the emphasis of the method is on the prediction of the major topological elements that comprise the global structure of the protein rather than on a detailed local secondary structure description, this approach is complementary to standard secondary structure prediction schemes. Consequently, it may be useful in the early stages of tertiary structure prediction when establishment of the structural class and possible folding topologies is of interest. Application to a set of small proteins of known structure indicates a high level of accuracy. The prediction of the approximate location of the surface turns/loops that are responsible for the change in overall chain direction is correct in more than 95% of the cases. The accuracy for the dominant secondary structure assignment for the linear blocks between such surface turns/loops is in the range of 82%.
已开发出一种简单方法，用于预测改变链整体方向（即“U”形转弯）的表面环/转角的位置，并确定小型单结构域球状蛋白质中介于跨球状区域之间的主要二级结构。由于该方法的重点在于预测构成蛋白质整体结构的主要拓扑元素，而非详细的局部二级结构描述，因此这种方法是对标准二级结构预测方案的补充。因此，在三级结构预测的早期阶段，当关注结构类别和可能的折叠拓扑结构的确定时，该方法可能会很有用。对一组已知结构的小蛋白质的应用表明其具有较高的准确性。在超过95%的情况下，负责链整体方向变化的表面转角/环的大致位置预测是正确的。此类表面转角/环之间线性区域的主要二级结构分配的准确率在82%的范围内。
