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Dissecting the mechanical unfolding of ubiquitin

机译：剖析泛素的机械展开

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摘要

The unfolding behavior of ubiquitin under the influence of a stretching force recently was investigated experimentally by single-molecule constant-force methods. Many observed unfolding traces had a simple two-state character, whereas others showed clear evidence of intermediate states. Here, we use Monte Carlo simulations to investigate the force-induced unfolding of ubiquitin at the atomic level. In agreement with experimental data, we find that the unfolding process can occur either in a single step or through intermediate states. In addition to this randomness, we find that many quantities, such as the frequency of occurrence of intermediates, show a clear systematic dependence on the strength of the applied force. Despite this diversity, one common feature can be identified in the simulated unfolding events, which is the order in which the secondary-structure elements break. This order is the same in two and three-state events and at the different forces studied. The observed order remains to be verified experimentally but appears physically reasonable.
机译：最近，通过单分子恒力方法研究了泛素在拉伸力的作用下的展开行为。许多观察到的展开痕迹具有简单的两个状态特征，而其他一些则显示出中间状态的清楚证据。在这里，我们使用蒙特卡洛模拟研究力诱导的泛素在原子水平上的展开。与实验数据一致，我们发现展开过程可以在单个步骤中或通过中间状态发生。除了这种随机性，我们发现许多量，例如中间体的出现频率，都显示出对施加力强度的明显系统依赖性。尽管存在这种多样性，但在模拟的展开事件中仍可以识别出一个共有特征，这是二级结构元素断裂的顺序。在两种状态和三态事件中以及在所研究的不同力下，该顺序是相同的。观察到的顺序仍有待实验验证，但看起来在物理上是合理的。

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