Guido Uguzzoni edited untitled.tex  almost 9 years ago

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At the final step we have TOT pfam domains with TOT PDB for a total of TOT inter-chains tables and TOT intra-chains tables.  To compare the DCA results with the inter-distance and the intra-distance, we take for each pfam domain the minimal distance across the individual PDB-chains-assembly distances, for both the intra-distances and the inter-distances. \\  In the last case the distance matrix matrices  are not symmetric, dist(res1,res2) $\neq$ dist(res2,res1). To superimpose the single distance matrices, in principle one can perform a structure alignment of the chain-chain complex but for different assembly architectures can be ambiguous. We decide then to symmetrize the matrix taking the minimum distance between the distances in the two direction (min(dist(res1,res2),dist(res2,res1))). The procedure to reduce several PDB contact map to one as the union of contact maps (minimum distance method) can arise pathological situation. Due to the heterogeneity of the different biological assembly architectures the union contact map can present a contact density unreasonably high that can bias the results.\\  This happened also with minor intensity in the intra-chain distances for the intrinsic variability of the domains structure (fluctuations and different state in the shape space) and for bias introduced by the experimental procedure.\\ 

In figure we display the histogram of the contact densities for each domains for intra-chain and inter-chain, and the scatter plot with the number of PDB-chain-domain-assembly unities to visualize the architecture heterogeneity bias.  We decide to filter out the pfam that display a contact density ...  We remain with TOT pfam ...  \section{Preliminary Results}