Fig. 9.

a Probabilities of the three CBM Tyr residues (466, 492, and 493) being contact in contact to only lignin, only cellulose, both lignin and not bound to either (unbound). b The crossing angle between the ring normals of the three CBM Tyr residues (466, 492, and 493) and the closest (within 5 Å) biomass ring (the glucose ring of cellulose or the phenolic ring of lignin). The dotted lines are distributions that would be obtained without an angular energetic preference from a random distribution. c Number of contacts per lignin residue with the enzyme (top), other lignins (middle), or cellulose (bottom). Contacts are labeled as “ring” when involving the lignin atoms C${}_1$–C${}_6$, O${}_3$, O${}_4$, and C${}_{10}$, while “chain” involves atoms C${}_7$–C${}_9$, O${}_7$–O${}_9$