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. 2022 Feb 2;12:1760. doi: 10.1038/s41598-022-05742-6

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