Skip to main content
. 2022 Jan 10;18(1):e1009749. doi: 10.1371/journal.pcbi.1009749

Fig 4. Distributions of the cations around AT-rich and GC-rich DNA duplexes.

Fig 4

A) Averaged radial-angular dependence of Na+, Arg+ (CZ atom) and Lys+ (NZ atom) from AT-rich duplexes at 25 mM concentration. The centre of each circle represent the average axis of the DNA-duplex. The minor-groove extends from 33° to 147°, while the major-groove extends from 147° to 33° (in the trigonometric direction). The white circle delimits the inner space of both minor and major grooves (localized 10.25 Å from the DNA average axis). B) Same as (A) for simulations done at 500 mM. C) Same than (B) at 1.5 M concentration. D), E), F), same as (A), (B), and (C) for GC-rich DNA duplexes respectively. Note that in all cases the total radial cut-off is 20.5 Å.