Figure 2
Examples illustrating the typical landscape for partial solutions rendered by phasing with fragments. The points in the scatter plots represent partial solutions from the different ARCIMBOLDO test cases. The ordinate shows the LLG score after rigid-body refinement and the abscissa shows the wMPE. (a) ARCIMBOLDO_BORGES run with the GITRL protein data (PDB entry 4db5) and a library of three antiparallel β-strands. (b) ARCIMBOLDO_SHREDDER run with the GITRL protein data (PDB entry 4db5) and the template model PDB entry 5l19. (c) ARCIMBOLDO_BORGES run with the A46 viral structure (PDB entry 5ezu) and a library of three antiparallel β-strands. (d) ARCIMBOLDO_SHREDDER run with the P1 structure (PDB entry 4pyi) and the template model PDB entry 5kva. |