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. 2005 May;14(5):1242–1252. doi: 10.1110/ps.041226005

Figure 3.

Figure 3.

Structural heterogeneity of the transition state. Three ensembles of transtion state structures are considered. The first (373–498 K) consists of one structure from each of the five temperatures between 373 K and 498 K. The average Cα-RMSD between thermally derived structures is 4.5 ± 0.7 Å. The second (498 K) consists of structures from five of the 498 K simulations. The average Cα-RMSD between all six 498 K transition states is 4.0 ± 0.6 Å. The third (333 K, 8 M urea) is formed by structures from the five urea simulations (average Cα-RMSD: 3.8 ± 0.7 Å).