Figure 3
From: Modelling the structures of G protein-coupled receptors aided by three-dimensional validation
(A) Distribution of lipid compatibility scores calculated using REPIMPS for all 78,125 different models of hGalR1. The mean lipid-corrected compatibility score was 88.5. Top scoring models with lipid-corrected compatibility score greater than 100.13 (mean lipid-corrected compatibility score + 2 SD) were subjected to further structure refinement. Structural refinement was also performed on the Baldwin model of hGalR1 despite its low lipid-corrected compatibility score of 85.5.(B) Recalculation of lipid-corrected compatibility scores for the top-scoring models after structural refinement is shown in gray. The best fit line for the lipid-corrected compatibility scores of the refined models (thin line) are compared to the best fit line for the lipid-corrected compatibility scores before structural refinement (thick line). (C) The residual differences of the lipid-corrected compatibility scores before and after the structural refinement are shown. The lipid-corrected compatibility score generally decreased after structural refinement by a mean value of 2.6.