Table 4.
Top CHIKV peptide and allele docked complexes binding interactions energies through Autodock 4.2
S.No | Peptide | HLA Allele | Autodock4.2(kcal/Mol) | ||||
---|---|---|---|---|---|---|---|
BE | IME | IE | TorE | H Bond | |||
1 | LLANTTFPC | B*0702 | −3.13 | −11.18 | −7.44 | + 8.05 | 1 |
2 | LLANTTFPC | B*5301 | −2.18 | −10.23 | −5.26 | + 8.05 | 1 |
3 | LLANTTFPC | A*0301 | −1.71 | −9.77 | −5.96 | + 8.05 | 1 |
4 | LLANTTFPC | B*3501 | 1.69 | −9.75 | −5.49 | + 8.05 | 1 |
5 | LLANTTFPC | B*5101 | −1.37 | −9.42 | −5.52 | + 8.05 | 2 |
6 | LLANTTFPC | A*0101 | −1.26 | −9.77 | −5.96 | + 8.05 | 1 |
8 | LLANTTFPC | DRB_0401 | −2.68 | −10.73 | −4.83 | + 8.05 | 1 |
9 | VNSVAIPLL | A*0301 | −3.19 | −11.24 | −4.35 | + 8.05 | 1 |
10 | VNSVAIPLL | A*0101 | −2.97 | −11.02 | −4.20 | + 8.05 | 2 |
11 | VNSVAIPLL | B*3501 | −2.43 | −10.48 | −3.97 | + 8.05 | 2 |
12 | VNSVAIPLL | B*5101 | −1.99 | −10.05 | −4.43 | + 8.05 | 1 |
13 | VNSVAIPLL | B*5301 | −1.32 | −9.38 | −3.99 | + 8.05 | 1 |
14 | VNSVAIPLL | B*0702 | −1.50 | −9.55 | −4.52 | + 8.05 | 1 |
15 | VNSVAIPLL | DRB1_0101 | −3.01 | −11.07 | −3.91 | + 8.05 | 1 |
16 | VNSVAIPLL | DRB1_0301 | −2.76 | −10.82 | −4.15 | + 8.05 | 0 |