All docking results for possible unit cells composed of previously determined trimers.

<p>For both HFBI and HFBII pentamers composed of trimers A and B, in each case the two trimers sharing a protein, could be constructed. These pentamers could not be docked to themselves thus they can not form a unit cell. For both HFBI and HFBII, hexamers could be constructed from two identical trimers, for HFBI from both trimer A and D (see <a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1003745#pcbi-1003745-g002" target="_blank">figure 2</a>), to form structures <i>α</i> and <i>β</i>, and for HFBII, from trimer A. In all three of these cases the hexamers could be successfully docked to themselves, as can be seen from the “18mers”, composed of three hexamers docked in a ring.</p

Results from electron cryomicroscopy: A) an unstained electron cryomicrograph of a HFBII film in water.

<p>Crystalline areas are slightly darker than non-crystalline areas. B) an unstained electron cryomicrograph of a HFBI film in water. Crystalline areas are slightly darker than non-crystalline areas. Scale bar is 100 nm in A and B. C) An inverted intensity image of the fast Fourier transform (FFT) of a selected HFBII area of the electron micrograph shown in A. D) A 2D projection map calculated from the HFBII image shown in A showing P3 symmetry, scale bar: 10 Å. Vector plots for distortion of HFBI and HFBII 2D crystals calculated during unbending showing high mosaicity in E) and F) respectively. Unit cell locations with vectors associated with higher noise are marked by coloured regions. Images were generated with the 2dx software package <a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1003745#pcbi.1003745-Gipson1" target="_blank">[47]</a>. F) Is calculated from the HFBII image shown in A).</p

A) Schematic showing the construction of our spin model that allows for both P6 and P3 symmetry ordering on a triangular lattice as a simplified model of the hydrophobin surface.

<p>B) Plots of the largest cluster size vs. Monte Carlo time for spin model where both P3 and P6 symmetry are permitted, and one where only P6 is permitted. We see that the size of the largest cluster increases linearly for the system with only P6 symmetry and exponentially for the system where both the P3 and P6 symmetries are permitted. C) Visualization of both systems where only P6 ordering is allowed and where both P6 and P3 ordering are allowed, at 60, 80, 100, and 120 Monte Carlo steps. Protein positions on the triangular lattice are red and the largest cluster is shown in yellow. The much faster exponential, as opposed to linear, growth in the cluster size for the system with both P6 and P3 ordering can clearly be seen; the largest cluster percolates the 40×40 unit cell system at 120 Monte Carlo steps.</p

Docking results for HFBI and HFBII fitting three protein unit (trimer).

<p>All structures within the top 1% scored are included; four different structures were found (A–D) for HFB I and 5 different structures were found (A–E), for HFB II.</p

Rendering of the three hexamer structures showing top and bottom views, with both electrostatic potential and the amino acid distribution shown.

<p>Rendering of the three hexamer structures showing top and bottom views, with both electrostatic potential and the amino acid distribution shown.</p

Graphical demonstration of our reasoning regarding possible structures.

<p>a) given that hydrophobin protein on hydrophobic surface has a diameter of ∼20 Å, for proteins to be in contact two possible lattice vectors with triangular symmetry can be seen, length ∼35 Å and ∼53 Å. Since experimental results show for HFBI and HFBII the lattice vectors are ∼54 Å and ∼55 Å respectively, this precludes the first lattice vector (∼35 Å). If we constrain the proteins to be in contact with a neighbor, then there exist only three possible structures that will possess this symmetry, b) c) and d).</p

Comparison of the 3 protein and 6 protein unit cell structures for HFBII, the 6 protein unit cell is the better fit to the experimentally observed lattice parameter and provides greater coverage of the surface.

<p>Schematics of the P3 and P6 unit cells of the respective structures are shown at the bottom.</p

Results demonstrating verification of the 3 protein unit cell structure with P3 symmetry, protein-protein docking matches symmetric creation from the 5 protein structure.

<p>The results were successful, docking both the A and B trimers for both HFBI and HFBII.</p

Enrichment for coding variants amongst autosomal SNPs stratified between South Asians and the 1000 Genome populations (3A) and for specific functional classes of SNPs amongst South Asians compared to Europeans (3B).

<p>Enrichment is calculated compared to null hypothesis; P values are provided in <b>Table S6 and Table S7 in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0102645#pone.0102645.s021" target="_blank">File S1</a></b>.</p

Correlation between imputed and observed genotypes amongst South Asians, using phased or unphased genotypes from low coverage WGS, or using 1000 Genomes Project data.

<p>Results are shown as mean r² with genotypes observed from microarray data (<b>2A</b>) or high-coverage WGS (<b>2B</b>, WGS-28x).</p