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We then introduce a unique feature of PMP the analysis of structural variability of experimental structures and models.
Comparisons across all PDB structures provide some measure of the range of structural variability, but do not enable the calculation of binding energies, while inhibitor binding studies provide averaged binding energies averaged over structural distributions in the assay environmental conditions.
Three-dimensional structures of these repeats determined to date reveal a degree of structural variability that translates into the considerable functional versatility of this protein superfamily.
Unlike most genes, C4 has a high degree of structural variability between different people.
This reduction can be explained by increased environmental stability and reveals the existence of structural variability within physiographic types.
A series of novel transition state factor Xa inhibitors containing a variety of lactam ring systems as central templates was synthesized in an expedient manner and allowed for a great deal of structural variability.
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Therefore, they are considered to be specific "training sites" in which different evolutionary variants are "tested" [ 68, 70, 71], which leads to structural variability of multireplicon genomes in different strains of the same genus [ 72].
In the light of these data, an interpretation of the structural variability of LRR-domains, combined with the apparent conservation of the N-terminal signalling domain, is that IRI-like genes might be under selective pressure for a continuous ORF from the signalling domain across the LRR-domain and into the IRI-domain, conserving the crucial function of apoplast export of IRI peptides.
These models, developed on the basis of data sets of great structural variability, permit the classification of compounds as active/inactive anticonvulsants and predict the quantitative anticonvulsant potency of such compounds.
Prior crystal structures of the vault have provided clues of its structural variability but are non-conclusive due to crystal packing.
One important aspect that needed to be worked out for this approach to be successful is a careful accounting of the structural variability inherent to the ensemble of 100 models generated by satisfaction of spatial restraints.
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