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First, an accurate multiple alignment of sequences of all members of a protein family is constructed on the basis of a multiple structural superposition of family members with known structure.
Template sequences were first aligned based on a multiple structural superposition and then the target sequence was aligned.
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Regarding new functionality, the MUSTANG algorithm in general is being extended to handle non-linear (in the order of residues in the chain) multiple structural alignments and superpositions, which will automatically be merged into the server.
"Sieved" models are produced from MUSTANG-generated multiple structural alignment (MSA) and superpositions by iteratively filtering out noisy residue-residue correspondences, until the resultant correspondences in the models are optimally 'superposable' under a threshold of RMSD.
The pZBD can best be defined from a structural superposition of known GluRS structures as the domain anchored by a two-stranded (E3 and E4) β-sheets.
Structural superposition is commonly used to compare multiple conformations of the same protein (in which case no alignment is necessary, since the sequences are the same) and to evaluate the quality of alignments produced using only sequence information between two or more sequences whose structures are known.
Simultaneous rigid-body structural superposition was performed using a robust multiple structural alignment algorithm MUSTANG [12].
A multiple alignment of the classical Sm domain was generated using a structural superposition of all crystallized Sm domains proteins from the PDB database, including the divergent bacterial version Hfq, as a template (Fig. 1).
In the current work, we have presented a refined view of the regions of homologous protein structures that exhibit apparent high deviation on global structural superposition.
First, we define two structure-based interface similarity measures: one that relies on structural superposition of the entire protein complexes and another one that relies on superposition of the protein interfaces.
Structure figures were made using PyMol (Schrödinger LLC) and structural superposition carried out using the Dali server (Holm and Rosenström, 2010) and Coot.
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