Identify Distal Residues that Impact the Active Site

DHFR Energetic Coupling Analysis

Fyrestar identifies the extent to which a residue is energetically coupled to each active site.  Residue 67 is 17 angstroms from binding site 2 with no visible connectivity pathway; however Fyrestar detects the energetic connection between residue 67 and binding site 2.  Consistent with the experiment, mutations at site 67 affect the affinity of the enzyme for site 2, while having no impact on site 1.