Fig. 4: Comparison of the effect of elastic network and Gō models in the allosteric pathways of SOD1.
From: GōMartini 3: From large conformational changes in proteins to environmental bias corrections
A, B Flexibility of the protein backbone of the WT with the elastic network (A) and GōMartini (B) model. Snapshots were taken every 1 μs. The color scale represents the average backbone RMSF per residue. C, D Change in RMSF between the WT and G93A with the elastic network (C) and GōMartini (D) model. Blue indicates rigidification in G93A. Red indicates increased flexibility. E, F Matrix representation of the integrated absolute difference in the distance distributions between all backbone beads. Results are presented for the EN (E) and GōMartini (F) model. The bottom left triangle represents the full data set. In the top right triangle, only values of > 0.3 are depicted; all other values are colored blue. Source data are provided as a Source Data file.
