Figure 4

PSPACE user interface. Screenshot of PSPACE user interface elements. (A) JMOL structure viewer allowing for 3D structural view of any selected protein chain as well as visualization of aligned comparison between any two protein chains. (B) kNN view showing nearest neighbor list with CATH and SCOP annotations for selected protein chain. (C) Data point view shows currently selected protein chains and allows for search and selection through chain PDB IDs. (D) Protein chain detail view shows JMOL thumbnail images of currently selected protein chains, previously selected structure and structure under the current mouse position. The classification tab of this interface allows for interactive annotation of SCOP and CATH properties at each level of their respective classification hierarchies. The Compare Sets tab provides interface to enable or disable visibility of protein chains for sets of user uploaded structures within the visualization. (E) Three dimensional, interactive scatterplot view showing a FATCAT aligned PDB_SELECT25 reference set of 3,824 protein chains and annotated by SCOP class. This space can be navigated through zoom, rotate, animated navigation to a selected structure, and magnification operators.