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An electrostatic spatial resonance model for coaxial helical structures with applications to the filamentous bacteriophages.

机译:同轴螺旋结构的静电空间共振模型及其在丝状噬菌体中的应用。

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摘要

A model is presented that treats the symmetry matching problem in structures made of two interacting coaxial helices of point charges. The charges are sources of a potential field that mediates a non-specific attractive interaction between the helices. The problem is represented in Fourier space, which affords the most generality. It is found that coaxial helices with optimally mated symmetries can lock into spatial resonance configurations that maximize their interaction. The resonances are represented as vectors in a discrete three-dimensional space. Two algebraic relations are given for the four symmetry parameters of two helices in resonance. One-start inner helices interacting with coaxial one-start or NR-start outer helices are considered. Applications are made to the filamentous bacteriophages Ff, Pf1, Xf, and Pf3. The interaction given by the linearized Poisson-Boltzmann equation is calculated in this formalism to allow comparison of the electrostatic free energy of interaction of different resonance structures. Experimental nucleotide/subunit ratios are accounted for, and models for the DNA-protein interfaces are presented, with particular emphasis on Pf1.
机译:提出了一个模型,该模型处理由两个相互作用的点电荷同轴螺旋线组成的结构中的对称匹配问题。电荷是介导螺旋之间非特异性吸引相互作用的潜在场的来源。该问题用傅立叶空间表示,该空间具有最广泛的通用性。发现具有最佳配合对称性的同轴螺旋可以锁定为空间共振构型,从而最大化它们的相互作用。共振在离散的三维空间中表示为矢量。对于共振中的两个螺旋的四个对称参数,给出了两个代数关系。考虑与同轴单头或NR头外螺旋相互作用的单头内部螺旋。应用到丝状噬菌体Ff,Pf1,Xf和Pf3。由线性泊松-玻尔兹曼方程给出的相互作用是在这种形式上计算的,以允许比较不同共振结构相互作用的静电自由能。实验核苷酸/亚基的比例,并提出了DNA-蛋白质界面的模型,特别是在Pf1上。

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