Data-Driven Prediction and Design of bZIP Coiled-Coil Interactions
Fig 2
Interpretation of the model weights.
Optimized weights correlate with experimentally measured coupling energies reported in the literature: (A) g-e' Rge = 0.94 (p = 5x10–5) and (B) a-a' Raa = 0.89 (p = 6x10–4) [5,22,23]. (C, D) Examples illustrating triplets of residues that are predicted to be stabilizing (C) or destabilizing (D) according to the derived model. PDB ID 4DMD was used to illustrate the triplets; the structure in panel (D) was obtained by modeling glutamic acid at position 20 using the SCWRL4 side-chain prediction program [57].