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The profile-profile matching server HHPRED [ 42] was used to select the most favourable templates for model building of ASP-2A from the many available aspartic protease structures.
To construct atomic-resolution models of Arabidopsis START domains, the closest structural homologs identified by threading were used as templates for model building in alignments using MODELLER 9v2 [ 59].
PyBioS integrates templates for model development and annotation, as a way to automatically take advantage of basic biological knowledge and publically available databases such as Ensembl (http://www.ensembl.org, [ 86]), Reactome (http://www.reactome.org) and KEGG [ 87], to automate and speed up model development.
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A similar proline kink is observed in the structures of all GPCR used as templates for modelling (Fig. 1 and Supplementary Fig. 1).
The ICL2 of the TSHR TMD_I shows a small α helix similar to that observed in some of the structures of GPCRs used as templates for modelling (Fig. 1 and Supplementary Fig. 1).
The ICL1 and ICL2 of the TSHR TMD_Ac show small α helices similar to those observed in some of the structures of GPCRs used as templates for modelling (Fig. 1 and Supplementary Fig. 1).
The ICL1 of the TSHR TMD_In shows a small α helix similar to that observed in two of the three structures of GPCRs used as templates for modelling (Fig. 1 and Supplementary Fig. 1).
Comparison with Thermus thermophilus aspartate aminotransferase (tAAT) and Trypanosoma cruzi tyrosine aminotransferase (tTAT), used as templates for modeling GTK/β-lyase, showed that the PLP-binding site of GTK/β-lyase is highly conserved.
To select templates for modeling the IL-3 receptor α-chain, we searched for its homologous sequences using BLAST (http://www.ncbi.nlm.nih.gov/blast) against PDB database.
The co-crystal structures of ABCB1 from the mouse model in complex with QZ59-RRR and QZ59-SSS inhibitors were used as templates for modeling site-1 and site-2, respectively; while apoprotein-ABCB1 was used as a template for modeling the site-3 and site-4.
1XPA and 1D4U were used as templates for modelling hydra XPA in Swiss Model.
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