Figure 2.
Illustrative examples of GPCR structural modeling with blue and red representing model and experimental structure respectively. (A) Template based modeling on human opioid (PDB ID:4ej4A1) (Granier et al., 2012) and serotonin (PDB ID: 4iarA1) (Wang et al., 2013) receptors with close homologous templates detectable by PSI-BLAST or sequence identity >30% excluded. Left to right columns are the LOMETS templates and GPCR-I-TASSER models overlaid on the native in the whole chain and TM-helix regions respectively. (B) Ab initio modeling on human Adenosine A2a receptor (PDB ID: 3emlA1) (Jaakola et al., 2008) with all homologous and membrane templates excluded. Left to right columns are the models built by MODELLER, ab initio assembly and GPCR-I-TASSER models overlaid with TM regions of the native structure, respectively.