Skip to main content
. 2023 Jul 12;12:e84881. doi: 10.7554/eLife.84881

Figure 3. Evolution of the lattice size distribution at different reaction rates and hexamer interaction strengths.

(A) Along the x-axis are the numbers of monomers found in each lattice, which is largely bimodal for all systems: a population of small oligomers and one giant connected component. As time progresses (from left to right columns), the initial structure which was one giant connected component continues to fragment somewhat, indicating that the starting structure was not at equilibrium. As the on- and off-rates increase (from top to bottom) with a fixed ΔGhex=9.62kBT, the largest component shrinks, as shown by the peak denoting the large giant component shifting to the left, and the peak denoting the small oligomers shifting to the right. (B) For a weaker hexamer free energy shown in the blue data (ΔGhex=7.62kBT), the lattice is breaking apart more rapidly and moving toward a more uniform distribution of lattice patch sizes as both peaks shift to the center. Note that we cut off the y-axis at 0.005 to make the peak at ~2500 visible. The bars at small sizes extend up to ~0.05. (C) Representative structures at the later times (t=17 s) for each case, illustrating the increased fragmentation as the rates accelerate, or as the hexamer contacts destabilize (lowest row). We quantify the corresponding diffusivity of the structures in Figure 3—figure supplement 1. We show how changes to ΔGstrain have a minimal impact on the structural dynamics in Figure 3—figure supplement 2.

Figure 3.

Figure 3—figure supplement 1. Distribution of the diffusion constant of each molecule.

Figure 3—figure supplement 1.

The right-most bar reports diffusion of monomers. The left-most bars are the molecules within the largest complex. A clear separation of timescales emerges as the lattice stabilizes due to the giant connected component. The rate constant for these simulations was the intermediate value of 0.025 nm2/µs.
Figure 3—figure supplement 2. Comparison of complex size distribution over the first 0–1 s of simulations with two values of ΔGstrain .

Figure 3—figure supplement 2.

The top row shows the results for ΔGstrain=2.3kBT, the same value used in Figure 3 and all other simulations. Each column is a different value of ΔGhex. In the bottom row, we remove the strain penalty, ΔGstrain=0, and therefore the closed hexamers have a 10-fold longer lifetime. The distributions are very similar in both cases, as the lattice stability is dominated by the value of ΔGhex. With the more stable lattices in particular (ΔGhex>7.62kBT) the closed hexamers have long lifetimes in both cases of strain (>25 s) and the dynamics is controlled by the partial incomplete hexamer structures on the edge.