Exploring the potential of structure-based deep learning approaches for T cell receptor design
Fig 6
Modeling of TCR CDR3 interface designs with TCRmodel2.
(A) Box plot of model confidence of ProteinMPNN (in purple) and ESM-IF1 (in red) TCR designs for each test case. Each point represents a different design. The model confidence of remodeled native sequences is colored in green. In this case we remodeled the native sequences 10 times to obtain a distribution of modeling scores that represent the native structure. (B) Root-mean-square deviation (RMSD) of CDR3 backbone atoms (both alpha and beta TCR chains) of designs in comparison to the corresponding native crystal structure that originated the designs. RMSDs were determined after structure superposition by the MHC.