Figure 4:

Number of cognate ligands ranked in the top 20 percentile as we deviate away from the original interface of PD1:PDL1. The number of residues overlapping between the alternative and the original interface is shown on the X-axis. Solid black circles are reliable and hollow circles are unreliable predictions. The blue circles and corresponding blue dotted line shows the average number of ligands recognized for all receptor patches explored, while black dotted line connects average results for reliable prediction only. The orange line marks a theoretically expected random reference assuming uniform ranking of ligands, which is 4.67. The vertical blue lines show the standard error of the mean