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[Preprint]. 2026 Feb 5:2026.02.02.703411. [Version 1] doi: 10.64898/2026.02.02.703411

Figure 5. Predicted compensatory TCR mutations restoring recognition of escape variants.

Figure 5.

(a) WT CDR3α contact map for the 1E6–ALWGPDPAAA TCR–pMHC complex (PDB: 3UTT), with the peptide hot spot highlighted in black and the flanking region in purple. (b) WT CDR3β contact map with the same annotations. (c) Compensatory rescue at a hot-spot site: the Gly4 →Asp escape variant is predicted to be restored by the CDR3α substitution S96 →Y, which introduces new favorable peptide–TCR contacts. (d) Compensatory rescue at a flanking site: for the peptide variant ALGGPDPAAA, the CDR3α substitution D→E restores the disrupted interaction pattern and recovers recognition. (e) Heatmap of compensatory potential across CDR3α substitutions for the case in panel (d). (f) Heatmap of compensatory potential across CDR3α substitutions for the case in panel (e). In panels (e,f), blue blocks denote successful rescues (strong-binder predictions), and green squares highlight the specific positions where compensatory substitutions were identified.