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The binding energy of this conformation is - 1.40 eV/H, which is 0.13 eV/H less stable than the H-BC3 sheet shown in Figure 1b.
The structures of an inactive mutant of CpNga123 in complex with intact GA2 and Gb4 glycosphingolipid motifs reveal insight into aglycon recognition and suggest that the kinked or pleated conformation of GA2 caused by the β-1,4-linkage between N-acetylgalactosamine and galactose, and the accommodation of this conformation by the enzyme active site, may be responsible for greater activity on GA2.
The intermolecular interaction energy of this conformation is at least 7.5 kcal/mol lower (stronger) than those of the other five conformations (Table 1); the 18-crown-6 complex with this conformation has a guest mass weighted root mean square deviation (mwRMSD) of 0.34 Å relative to that of crystal structure AJUXUY.
The loss of wild type (PAb1620) form was progressive with the rise in temperature; the loss of wild type conformation at 37°C and 40°C was about 80% whereas there was a total loss of this conformation at 45°C within 1 hour (Fig. 3a).
There is no NMR evidence of this conformation.
It brings information on the conformation of proteins adsorbed on biomaterial surface and on the reversible character of this conformation [ 16].
Similar(43)
Apparently, the entire core region of Rab6 had to be expressed to allow binding of this conformation-sensitive antibody.
In terms of RMSD, this conformation exhibits the strongest deviation from the most prevalent one (Cluster 1).
The value of ϕ in this conformation is in the range of 45 55°.
This conformation of the mRNA is thought to promote recycling of terminating ribosomes for a new round of translation at the 5′-end and, thus, support efficient translation.
General approaches for designing protease inhibitors often consist of peptidomimetics that feature this conformation.
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