Figure 2. Pictorial depiction of conserved interactions across the dataset.

(a) Top twenty conserved interactions/edges (indicated as red lines) in our dataset depicted on a representative member of Family 1 (PDB_id: 1P0F). The residues corresponding to the top 10 edges are colored green and those from the next 10 edges are colored blue and are represented as van der Waals’ spheres. The protein backbone is depicted as new-cartoon. A subset (the edges and the residues conserved in most of the proteins of the fold) of top 20 fold-conserved edges is highlighted in a black circle. These edges form a spatial motif for a majority of the structures in our dataset. (b) Residue participation in the spatial structural motif as obtained by considering one representative member from each family in our dataset. Two of the three Gly residues (from the conserved spatial motif) highlighted in bold are completely conserved in all the members of our dataset implying their structural importance. The Gly at the centre of the motif is a hub connecting to either hydrophobic residues or small polar residues like Thr and Cys in the selected proteins.