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Based on key residues information, the model of HWTX-XI was docking to fit the surface of the pocket region of KV1.1 manually for KV1.1/toxin complex construction (Methods S4).
On the other hand, one can expect that proteins with similar structures would also have similar distance distributions between their residues, information that is captured in a CSM.
SEPPA [ 11] was another structure-based predictor, which produced a propensity score for a target residue by considering its adjacent residues' information.
The dissection step is guided by the residues' information from the PDB/DSSP-derived Pfam domain annotations (see Additional file 1) that states if a residue is fold-critical or remnant.
In addition, in order to keep evolutionary information of neighborhood residues information, we use the principle of sliding window to calculate the backward (or/and forward) metrics over a limited region of the received sequence.
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This process is repeated until the whole residue information is diluted across the whole TF dictionary [2].
We utilized the functional residue information to select region on DDX3X that could be employed for generation of DDX3X specific analog.
Using the functional residue information at the DDX3X ATPase site, we showed that most of these residues are under strong functional constraints and that validates their conservation pattern (Figure 3).
Functional residue information of DDX3X (Figure 2) would provide more information about the mechanism by which this helicase acts and about the selectivity that differentiates DDX3X from rest of the helicases of the family.
Moreover, AS-EAST annotates the query isoform using functional amino acid residue information (Fig. 1b).
The site and residue information for PTMs were captured for 17 proteins.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com