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Representative structures were selected for each structural cluster with Tanimoto coefficient (Tc) less than 0.9 to other clusters.
To decipher the bikaverin biosynthetic pathway and to overcome these negative regulation circuits, the structural cluster genes BIK2 and BIK3 were overexpressed independently in the ΔΔBIK2/BIK3+OE::BIK1 mutant background by using strong constitutive promoters.
Typical lipocalin characteristics, such as the 310 helix and a structural cluster of highly conserved residues, have been lost, while an α-helix now shields the cavity from the exterior.
If the number of molecules was less than 6 in a structural cluster, we selected only a single molecule as the element of test set to avoid the irrelevant optimization of atomic parameters.
With respect to the separation of 639 FSD molecules into a training set and a test set, the similar molecules sharing more than 70%% of atom types were collected into the same structural cluster.
Residues were added in order of importance to form a structural cluster (each residue has a non-hydrogen atom within 4 Å of another residue in the cluster) of at least 10 surface residues (solvent accessibility of at least 2 Å2 calculated by DSSP [104]), and the six most important are chosen.
Similar(45)
Entries for structural clusters include the cluster representative structure, as well as a consensus sequence, and a list of the structures belonging to the cluster.
To this effect, it was possible to identify several plausible miRNA clusters with structurally similar stem-loops by performing conventional structural clustering over this reduced set, along with an analysis of their genomic disposition.
The structure of NerA fits to previously proposed structural clusters and also exhibits sequence motifs that allowed prediction of the correct orientation of the residues Y65 and Y356, as well as its monomeric state.
Since the "leaves" of this dendrogram correspond to individual configurations, it is possible to complement the dendrogram with color-coded bar plots that represent the value of different properties of each structure, thereby giving a clear picture of the relation between structural clustering and the different properties.
We then define structurally diverse superfamilies as those superfamilies that have at least 2 structural clusters.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com