Table 3.

Predicted ∆G of each interaction pair between predicted JOVI.1 structure and TRBC1.

Calculation methods	∆G of structure 4 cluster 0 (kcal/mol)	∆G of structure 4 cluster 1 (kcal/mol)	∆G of structure 6 cluster 0 (kcal/mol)
PRODIGY prediction	− 11.1	− 11.5	− 14.1
MM/PBSA prediction	− 32.77 ± 0.99	− 50.88 ± 0.43	− 35.71 ± 0.84
MM/GBSA prediction	− 22.59 ± 0.76	− 32.25 ± 0.32	− 30.92 ± 0.43