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. 2024 Nov 4;5(12):1259–1270. doi: 10.1039/d4cb00174e

Library of ADAPTins with diversely functionalized H3 loops generated from an individual CDR-H3 binding analysis. Evaluation of folding and stability properties of the designed ADAPTin peptides 1–2.

graphic file with name d4cb00174e-u1.jpg
a

Individual CDR buried surface area (BSA) computed by dr_SASA with %-binding surface calculated as a ratio to the total BSA (TBSA) from Ab·PD1 cocrystal structures.

b

Total number of hydrophobic and polar binding contacts created at the CDR-H3 interface.

c

Binding Gibbs free energy (reu) calculated by Peptiderive to score binding interfaces.

d

Folded fraction (χF) at 25 °C and melting temperatures calculated from CD-melts based on the type of ADAPTin fold (B: bulged, R: regular).