view article

Figure 4
Analysis of the clusters rendered by ALIXE after the search for a second fragment in the coiled-coil mode of ARCIMBOLDO_LITE for the IF1 protein structure (PDB entry 1gmj). The dots in the scatter plots represent either single solutions or combined clusters. The size of the circles is proportional to the number of single solutions joined in that cluster. The colour and the value in the abscissa represent the wMPE, and the ordinate represents the LLG value for the top solution in the cluster. (a) Original single solutions. (b) Clusters under a 60° wMPD tolerance. (c) Clusters under a 30° wMPD tolerance. It can be observed that a 30° tolerance results in a more differentiated landscape in which the number of solutions is reduced while keeping sufficient diversity to avoid deterioration in the clusters with the best wMPEs.

Journal logoSTRUCTURAL
ISSN: 2059-7983
Follow Acta Cryst. D
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds