Figure 5

Free energy landscapes (FELs) of ΔN123-GBD-CD2, F2163G, W2135I-F2136C and W2135I-F2136C were determined using as reaction coordinates the projection of the first and second principal components from one microsecond MD simulation of the free ligand form for each system. The bottom legend shows the color scale of the logarithm of FEL in J mol−1.