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Nanomechanical properties of vimentin intermediate filament dimers

机译：波形蛋白中间丝二聚体的纳米力学性能

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摘要

The cell's cytoskeleton, providing the cell with structure and shape, consists of a complex array of structural proteins, including microtubules, microfilaments and intermediate filaments. Intermediate filaments play a crucial role in mechanotransduction and in providing mechanical stability to cells, in particular under large deformation. By utilizing molecular simulation, here we report a nanomechanical analysis of vimentin intermediate filament dimers, the basic building blocks of intermediate filaments. We describe a detailed analysis of the mechanical properties and associated deformation mechanisms, and find that mechanical stretch induces a transition from alpha-helices to beta-sheets, a phenomenon known as alpha—beta transition. A comparison of the Young's modulus predicted from simulation with experimental measurements is provided, and good agreement is found. We present an analysis of structural changes during deformation, domain unfolding patterns, rate dependence of the rupture force and associated changes in the energy landscape, and conclude with a discussion of potential implications for mechanobiology and the development of de novo protein materials.
机译：细胞的细胞骨架为细胞提供结构和形状，由一系列复杂的结构蛋白组成，包括微管，微丝和中间丝。中间丝在机械转导和向细胞提供机械稳定性方面，尤其是在大变形下，起着至关重要的作用。通过利用分子模拟，在这里我们报告波形蛋白中间丝二聚体（中间丝的基本组成部分）的纳米力学分析。我们描述了机械性能和相关变形机制的详细分析，发现机械拉伸会导致从α螺旋到β折叠的转变，这种现象称为α-β转变。将模拟预测的杨氏模量与实验测量值进行了比较，并找到了很好的一致性。我们提出了在变形过程中的结构变化，域展开模式，断裂力的速率依赖性以及能量格局中相关变化的分析，并以对机械生物学和从头蛋白质材料的发展的潜在影响进行了讨论。

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