Fig 3. Root mean square fluctuations of HLA in the different complexes.
(A) Differences between main-chain fluctuations of HLA in its free and binary forms, p-HLA. Data corresponding to TAX-HLA, V7R-HLA, P6A-HLA and Y8A-HLA are in red, orange, blue and green, respectively. Secondary structure elements are shown on top of the abscissa axis. Blue arrows represent β-strands and helical regions (α in red, π in orange) are shown as boxes. (B) Backbone fluctuations within V7R-HLA, P6A-HLA and Y8A-HLA complexes relative to the TAX-HLA complex. The N-terminus of the α-helix 1 and the central turns of the α-helix 3 present larger fluctuations (red) in the P6A-HLA and Y8A-HLA complexes than the reactive complex. (C) Maps of the main-chain RMSD differences between the mutant binary complexes and TAX-HLA. Colors scales from -1.2 Å (blue) to 1.5 Å (red).