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Guido Uguzzoni edited untitled.tex
almost 9 years ago
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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. \\
Note that in the last case the distance matrices are not symmetric, dist(res1,res2) $\neq$ dist(res2,res1).
To superimpose the single distance matrices is necessary to identify
an order in the
direction of the two chain interaction, 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 two
direction distances ( min(dist(res1,res2),dist(res2,res1)) ).
The procedure to reduce several PDB contact map to one as the union of the contact maps (minimum distance method) can arise pathological situations. 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 (for example when is sampled different conformational states).\\
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