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Abstract

Results of calculations using various empirical potentials suggest that base pair buckling, which commonly occurs in DNA crystal structures, is sufficient to eliminate the steric clash at CpG steps in B-DNA, originating from the base pair propeller twisting. The buckling is formed by an inclination of cytosines while deviations of guanines from a plane perpendicular to the double helix axis are unfavorable. The buckling is accompanied by an increased vertical separation of the base pair centers but the buckled arrangement of base pairs is at least as stable as when the vertical separation is normal and buckle zero. In addition, room is created by the increased vertical separation for the bases to propeller twist as is observed in DNA crystal structures. Further stabilization of base stacking is introduced into the buckled base pair arrangement by roll opening the base pairs into the double helix minor groove. The roll may lead to the double helix bending and liberation of guanines from the strictly perpendicular orientation to the double helix axis. The liberated guanines further contribute to the base pair buckling and stacking improvement. This work also suggests a characteristic very stable DNA structure promoted by nucleotide sequences in which runs of purines follow runs of pyrimidine bases.  相似文献   

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Abstract

The refractive indices of wet-spun films of CsDNA have been measured for light polarized parallel and perpendicular to the helical axis as a function of relative humidity (RH). These data have been combined with previously published data (Biopolymers 30 (1990) 877–887) for the volume per base pair and water content as a function of RH in order to extract the optical polarizabilities. This work was motivated by the study of Weidlich et al. (Biopolymers 26 (1987) 439–453) who reported a ~35% increase at the A-to-B transition in the parallel and perpendicular polarizabilities of NaDNA. In contrast, a much smaller increase in the polarizabilities of CsDNA is found near the A-to-B transition: ~ 12% for the perpendicular direction and < 4% for the parallel direction.  相似文献   

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