To generate the contact maps/matrices, MDTraj 80 was used to calculate all the heavy atom distances between each pair of residues for a given crystal structure. The minimum heavy atom distance between each residue pair was determined from this and a cut-off of 6 Å was used to define if the two residues were in contact. A binary matrix of size the number of residues squared was then constructed with "1" used to signify if the residue pair was within the cutoff, and "0" if not in contact. In the case of PTP1B, both the open and closed state conformations (provided in PDB ID: 6B90 63 ) were used to determine if a residue was in contact by taking the smallest heavy atom distance found between a residue pair in either structure.