Simulations were conducted in conditions that yield varying amounts of accessible volume in the lattice, acting on the density of the system, and introducing geometrical restrictions to motion.
None of the characterised cargo-binding sites overlap with the protein protein and protein membrane interfaces we identified in the lattice: all remain accessible to cargo in the assembled inner coat.
Such functionalized two-dimensional S-layer lattices formed by rSbpA/STII/Cys exhibited highly accessible cysteine residues in a well-defined arrangement on the surface and could be utilized for the template-assisted patterning of gold nanoparticles [ 47].
For these reasons, it is assumed in the NMR model that surface polymers, on both accessible and inaccessible surfaces, are not identical to polymers in the cellulose I crystal lattice and that they therefore do not contribute to the DCr.
The temperature dependence of the dynamically accessible volume shows the vitrification of the material analogously to the temperature dependence of the lattice energy.
Solvent accessible surface area (ASA) was calculated from atomic protein structure numerically using the double cubic lattice method [ 154] as implemented in the Biochemical Algorithms Library [ 155].
The mobility of the accessible cells during athermal simulations has also been characterised concluding that all the holes in the lattice are in motion, contributing to the diffusion of the molecules even for the lowest values of DAV.
Because the δ-site is accessible without local side-chain conformational changes, the lower observed frequency might also hint at allosteric lattice effects that reduce binding at this site.
Moreover, the predetermined orientation of the proteins in the S-layer lattice ensures that the functional regions of the foreign protein (such as Fab regions) will be accessible for functions such as antigen binding.
The electrodes were fabricated starting from corresponding one-dimensional colloidal nanocrystals, namely solid and longitudinally carved nanorods, respectively, which featured identical crystal phase and lattice orientation, but exposed two distinct space-filled volume structures with subtly different lattice parameters and nonequivalent types of accessible surfaces.
