Figure 6

Sampling with the normal GA and AEP. The coarse and fine energy (y-axis) versus the SC score (x-axis) is plotted for 10 equally scored rounds, of four representative targets: T0300 (coarse), T0313 (fine), T0329 (fine) and T0353 (coarse). This is done to show the distribution of the models' coarse and fine energy scores; however, for all four cases both energy scores are used for ranking, as described in the methods. For the two coarse energy plots the corresponding energy funnel for the fine scoring scheme is also not particularly well defined, however, certain trends are easier to observe by plotting the coarse scoring scheme for these cases (see text). AEP0 (standard GA) is coloured black, AEP1 red, AEP2 green and AEP3 blue. For all four cases the energy of the native structure is shown as a red dash on the right y-axis of each graph. In the case of T0300 the energy of the native structure is much higher than a large proportion of the models. This can explained due to a particularly poor agreement between predicted and native secondary structure.