Figure 1
Convergence of AK maps depending on random number seeds. The upper smooth curves show the CCs of pairs of AK maps as a function of the number of maps averaged, whereas the bottom curves plot the CC of each individual map compared with the final map of the series. Three series of AK maps were calculated from three different starting random number seeds to avoid any map repetition. The applied kick size was 0.9 Å at a resolution of 3.0 Å. The crystal structures of P79S stefin B variant and cathepsin H were used as initial models in (a) and (b), respectively. |