Figure 2

(A) Average of normalised lipid-corrected compatibility scores calculated using the REPIMPS method for the models of GPCRs plotted against the rotation of individual helices. Models of all 493 GPCRs used in this study were built based on the Baldwin template [3]. Changes were made to the models by rotating a single helix around the helix long axes every 30°. The average lipid-corrected compatibility score was calculated for all models at a particular rotational status and normalised for the average lipid-corrected compatibility score value at 0° rotational position. (B) Average of lipid-corrected compatibility scores calculated using the REPIMPS method for the helices of the models of GPCRs plotted against rotational orientation. Models of all 493 GPCRs used in this study were built based on the Baldwin template [3]. Changes were made to the models by rotating a single helix around the helix axes every 30°. The lipid-corrected compatibility score was calculated for a particular helix for all models at different rotational orientations and the average value was plotted. (C) Average of CAD scores for the modelled GPCRs vs rotation of individual helices. The CAD value was calculated for the comparison of a model GPCR in any particular rotational step of a helix with the next rotated neighbour. The CAD results for the same rotation change in all 493 GPCR models were averaged and plotted against the rotational degree. For example, Helix I of the model for a particular GPCR was rotated about its long axis from 0° to 30°, and then a CAD comparison was performed between them. The results of CAD calculations for this change in the models of all studied GPCRs were averaged and plotted at 0°.