Figure 4
Comparison of the spatial dynamics of HLA-DRB1*01:01 and HLA-DRB1*04:01. (A and B) Cartoon representation of HLA-DRB1*01:01. Blue: MHC alpha chain; Red: MHC beta chain; Yellow: Equally distributed snapshots of the peptide over the whole simulation time; Green: Residues differing between HLA-DRB1*01:01 and HLA-DRB1*04:01 which are within 10 Å of the peptide. (C) RMSF of Art v 125-36 bound to HLA-DRB1*01:01 and HLA-DRB1*04:01. (D) Difference in average SASA between the two complexes. (E) RMSF of the single residues of the helical segment of the MHC alpha chain. (F) RMSF of the single residues of the helical segment of the MHC beta chain.