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. 2024 May 8;19(5):e0302717. doi: 10.1371/journal.pone.0302717

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Fig 7 — (A) Discrete optimized protein energy (DOPE) score profiles of the 4tqX template (-20008.758) and Model (-20812.996). The overlay shows the missing N-terminal residues in 4tqX template as well as the omitted residues (49–53). (B) Ramachandran plot generated via RamachanDraw for the best Streptococcus mutans sortase model (.pdb output file) from MODELLER10.4. (C) Binding free energies in kcal/mol for Compound-Sortase complex grouped in a descending order from left—right. ^F: Detected in fermented teas, ^uF: Detected in young and mature teas, ^Ref.: Reference compound.