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Based on crystallographic structures of several LuxS enzymes this residue is located at the amino end of β-strand 4 [42].
A structural model of pro-falcipain-2 was constructed by homology modeling based on crystallographic structures of mature falcipain-2, procathepsin K, procathepsin L, and procaricain, offering insights into the nature of the interaction between the prodomain and mature domain of falcipain-2 as well as into the broad specificity of inhibitory activity of the falcipain-2 prodomain.
A homology model was also created based on crystallographic structures of β-xylosidases from Selenomonas ruminantium (PDB 3C2U), Geobacillus stearothermophilus (PED 2EXI), and Bacillus halodurans (PDB 1YRZ).
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We also evaluated the conservation of tertiary structure of SaSce9 by modeling of predicted tertiary structure based on crystallographic data deposited on the Swissprot [ 25].
Instead of reasoning in terms of hydrophily and hydrophobicity, they suggested the bilayer structure based on crystallographic studies [ 99] and soap bubble observations, which were only distantly related to their subject [ 100].
B-cell epitope predictions based on crystallographic (Rv0009, Rv0407) or modeled 3D protein structures (Rv2241, Rv2624c) were accessed with DiscoTope 2.0 server (CBS, Denmark) [ 39].
Before discussing the sites involved in positive selection, it is important to consider the structure of bracovirus PTPs based on crystallographic, computer modelling (Cα- regiovariation score analysis) and mutant studies performed on vertebrate PTPs.
Closed and open forms of M2-1 were generated using structural alignments based on crystallographic protomers.
Comparison of predicted tertiary structure of SaSce9 with that based on crystallographic analysis of the human counterpart HsUbc9 [ 26], revealed the presence of four alpha helices and four beta sheets in SaSce9 with overall 65% identity with HsUbc9.
The tertiary structure of SaSce9 was predicted by homology modeling based on crystallographic data deposited on the Swissprot using SWISS-MODEL [ 25].
Fig. 5b shows the normal component of the node stresses for the Voronoi based test structures resulting in peak stress values at the grain boundaries based on crystallographic orientation and location of the Cu grains along the Y direction.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com