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To facilitate comparisons between CMTr1 and CMTr2, we built a structural model of the CMTr21 423 catalytic domain by comparative modelling, using the CMTr1126 550 structure as a template (Fig. 2b; see Methods for details).
Three theoretical models of the structure of the TSHR TMD have been obtained by comparative modelling using the program MODELLER [25] within the Discovery Studio 3.5 suite of software (DS3.5) (http://accelrys.com/products/discovery-studio/).
Number of Trypanosoma cruzi proteins that could be modeled by comparative modelling using the MHOLline workflow and their respective quality.
The three-dimensional model of the human V1b receptor (Swiss-Prot entry: P47901) was obtained by comparative modelling using the known crystal structure of the closely related bovine rhodopsin (Protein Data Bank ID 1u19) as a template, as provided by MODBASE [ 46].
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The 3D structure of Kir2.1 was built by comparative modeling using the software Modeller® (58).
The main chains of these models were made congruent by comparative modeling using the I-TASSER models as templates.
A typical cystine knot stabilized by three disulfide bridges can be observed in all these peptides, as revealed by comparative modeling using tachystatin-B1 [ 70] as a template.
We also predicted the structure of nasonin-1 by comparative modeling using scorpion neurotoxin cobatoxin (PDB: 1PJV) [ 43] as a template.
Three-dimensional (3D) homology model of Leishmania donovani geranylgeranyltransferase-II (LdGGTase-II) was generated by comparative modeling using MODELLER 9v8 [ 56] with crystal structure of Rab escort protein-1 in complex with Rab geranylgeranyltransferase and isoprenoid from Rattus norvegicus (PDB ID-1LTX) was selected as a template for structure modeling.
This final alignment was then used for comparative modeling using the Rosetta software suite.
Table 4 presents a summary of the comparative models used by the patients and health care providers.
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