Figure 8.

Canonical/non-canonical hydrogen bonds and stacking energies (see Materials and Methods) as a function of applied over-stretch (up to 40%) on the simulation of (CG)12 at σ = −0.068 in 200 mM salt. Two views of a structure from the simulation are shown in panel B. The inset panel C shows representative structures for an overstretch of 25 Å (∼32%) from the 200 mM salt simulations, while panel d) shows detail from the 50 mM structure. The orange colour scheme of the inset fragments indicates a structure stabilized by a broad coalition of all of the interaction types. Specifically, we see an absolute increase of ∼25 kcal/mol non-canonical stacking, a loss of two canonical hydrogen bonds, a gain of one non-canonical hydrogen bond, and an absolute decrease of around 20 kcal/mol for the canonical stacking energy.