Computational and Mathematical Methods in Medicine

Research Article

patGPCR: A Multitemplate Approach for Improving 3D Structure Prediction of Transmembrane Helices of G-Protein-Coupled Receptors

Figure 3

Comparison of multiple-template and single-template patGPCR for eight GPCR targets. The - and -axes indicate TM RMSD and FL RMSD, respectively. Results generated using the multitemplate approach are shown in red and those generated using the single-template version of patGPCR are shown in green, blue, and purple. For five out of eight targets, CXCR4 (a), D3 (d), A2A (e), KOR3 (g), and Beta2 (h), the multitemplate approach yielded a higher number of conformations with lower TM RMSD values than the single-template approach. For KOR1 (b), the narrow sampling space in any single template may have resulted in similar performances for the multiple-template and single-template approaches.
486125.fig.003a
(a) Comparison between multiple-template approach and single-template approach for target CXCR4
486125.fig.003b
(b) Comparison between multiple-template approach and single-template approach for target KOR1
486125.fig.003c
(c) Comparison between multiple-template and single-template approach for target HH1R
486125.fig.003d
(d) Comparison between multiple-template and single-template approach for target D3
486125.fig.003e
(e) Comparison between multiple-template and single-template approach for target A2A
486125.fig.003f
(f) Comparison between multiple-template and single-template approach for target S1P1
486125.fig.003g
(g) Comparison between multiple-templates and single-template approach for target KOR3
486125.fig.003h
(h) Comparison between multiple-template and single-template approach for target Beta2