Extended Data Fig. 1 |. Selection of negative controls for screening.

Left. We have sorted all residues in myoglobin in bins based on their distance to the docked inhibitor (black) in FerrElCat. The residues in the van der Waals contact with the docked inhibitor were placed in bin 1 (red), the residues in direct contact with the residues in bin 1 were placed in bin 2 (yellow), etc. A total of five bins were devised: red, yellow, orange, green and blue. Right. The list of the residues sorted in the five bins. Residues showing large backbone CSP and their immediate neighbors are highlighted in red and yellow, respectively. Unassigned positions and residues immediately next to unassigned stretches are shown in dark grey and light grey, respectively. Prolines are highlighted in blue. Residues showing small CSP that were selected as controls are either highlighted in green or labeled in green font (when located next to unassigned residues).