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. 2007 May 4;93(4):1284–1292. doi: 10.1529/biophysj.107.108613

FIGURE 1.

FIGURE 1

LFE projection at 408 K. (A) Three-dimensional free energy surface and local minima. The free energy is calculated in kJ/mol. The X dimension is the principal component of the H1/PrP-core orientation parameters (see Fig. S2 of the Supplementary Material). The Y dimension is the principal component of the native and nonnative contacts. The Z dimension is the principal component of the set of the radius of gyration and the maximum value of the pair distances between any atoms of helix H1 and the disulfide bridge. The location of the nine minima is marked with black spheres. Two level curves enclose regions below 16 kJ/mol (gray lines) and 18 kJ/mol (orange lines), respectively. (B) Disconnectivity tree calculated from the energy values of minima and the connecting saddle points (s1–s6) of LFE projection. (C) Representative structure of B1, B2, B3, and B6.