This section provides a summary of the interactions established between residues and ligands. When the set of proteins are identical and the ligands vary among the data set, interactions between residues and ligands can be directly calculated for the whole data set by counting the number and type of interactions that a residue and its atoms can establish. However, when proteins are similar (and not identical), we need to superimpose protein structures first, and then the number and type of interactions established by correspondent residue positions in the alignment can be calculated.

All data

A table containing data from the whole data set, with columns Atom, Type of interaction and # Ligands with which it interacts, is provided. By clicking on a column, the table is sorted according such column. Moreover, the table is segmented by residue (a position from structure superimposition) through green lines and, by clicking on these lines, the table is sorted according such position. Also, users can type a word to search for in the table Search textbox.

By clusters

Provides the same data from All data subsection, but segmented by cluster. Users can enter a PDB id to find in which cluster the ligand is located and then choose such cluster to be shown. Also, users can type a word to search for in the table Search textbox.

Clusters comparison

This section allows users to analyze the differences between two or more clusters, i.e., which interacting residues are exclusive to one cluster or which ones are common to more than one cluster. A set of Cluster selectors and three buttons are provided.

Cluster selectors: users can select which cluster they want to compare.

Add button: by clicking on this button, one more Cluster selector will be added to the panel. Thus, users can compare how many clusters they want.

Remove button: by clicking on this button, one Cluster selector will be removed from the panel. Thus, users can reduce the number of clusters they want to compare.

Check button: by clicking on this button, the comparison between the chosen clusters will be performed. A table showing the results will be created after the comparison finishes.