Table 2 Design of PVR mutants based on key residue positions
From: Computer-aided design of PVR mutants with enhanced binding affinity to TIGIT
No. | Mutants | Δ Affinity (kcal/mol) | Δ Stability (kcal/mol) |
|---|---|---|---|
1 | S87W | − 6.0533 | − 0.4876 |
2 | S72W | − 5.8471 | − 0.0612 |
3 | S72R | − 5.8053 | 0.2568 |
4 | T65E | − 4.7483 | 1.0379 |
5 | G131W | − 4.6440 | − 0.1364 |
6 | S74W | − 4.5593 | 0.0172 |
7 | S132R | − 4.5511 | 0.2703 |
8 | G131M | − 4.4606 | − 0.3685 |
9 | G131V | − 4.2638 | − 0.8332 |
10 | S132Q | − 4.2539 | 0.5422 |