Fig. 6: Structural uniqueness of scaffolds presenting single and multiple epitopes.
From: Accurate single-domain scaffolding of three nonoverlapping protein epitopes using deep learning
a, MDS plot of the pairwise TM-score CATH family representatives and RSVF-multi designs, colored by structure class. Circles represent distinct topologies in CATH, where the relative size is representative of the number of structures in that family. Purple diamonds represent the four multiepitope designs. b, Structurally confirmed multiepitope designs (RSVF-multi-1 and RSVF-multi-4) aligned to a representative of the closest CATH topology family. c, Maximum TM-score distribution of generated representations of unique versus nonunique topologies against CATH topology families. The RSVF-multi design TM-scores to the closest structural homolog fall within the unique topology distribution. RSVF-multi-1 and RSV-multi-4 are shown aligned to a representative of the closest CATH topology family.
