Table 1.
Binding analysis of predict JOVI.1 antibody with TRBC1.
Cluster | Member | NK interaction | Predicted dissociation constant (Kd) (M) | Relative binding energy (∆G) (kcal/mol) | |
---|---|---|---|---|---|
Structure 1 | 0 | 132 | No | ||
1 | 77 | No | |||
2 | 54 | No | |||
Structure 2 | 0 | 97 | No | ||
1 | 83 | No | |||
2 | 71 | Yes | 1.50 × 10–6 | − 8.3 | |
Structure 3 | 0 | 109 | No | ||
1 | 70 | No | |||
2 | 66 | No | |||
Structure 4 | 0 | 65 | Yes | 1.50 × 10–8 | − 11.1 |
1 | 54 | Yes | 8.40 × 10–9 | − 11.5 | |
2 | 51 | No | |||
Structure 5 | 0 | 107 | Yes | 3.10 × 10–7 | − 9.3 |
1 | 54 | No | |||
2 | 44 | No | |||
Structure 6 | 0 | 77 | Yes | 1.10 × 10–10 | − 14.1 |
1 | 76 | No | |||
2 | 63 | No | |||
Structure 7 | 0 | 91 | Yes | 4.70 × 10–7 | − 9.0 |
1 | 87 | No | |||
2 | 50 | Yes | 3.50 × 10–9 | − 12.0 | |
Structure 8 | 0 | 90 | No | ||
1 | 70 | No | |||
2 | 57 | No | |||
Structure 9 | 0 | 78 | No | ||
1 | 56 | No | |||
2 | 49 | Yes | 5.90 × 10–8 | − 10.3 | |
Structure 10 | 0 | 153 | No | ||
1 | 61 | No | |||
2 | 57 | No |