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. 2021 Oct 5;11:19707. doi: 10.1038/s41598-021-99227-7

Table 10.

The binding properties of the docking analysis using PATHDOCK and refined by FIREDOCK.

Vaccine construct Receptor Name of target Score Area H-bond E Global E ACE
DV-1 5WJL HLA-A*11–01 10,204 14.12.80 − 4.81 − 60.07 − 114.00
5JLZ HLA-DRB1*04–01 10,056 1240.30 − 2.19 − 51.02 − 140.36
3FXI TLR2 15,766 2591.40 − 3.20 − 63.40 − 33.79
2Z7X TLR4 16,202 1880.60 − 5.73 − 69.89 103.14
DV-2 5WJL HLA-A*11–01 9098 1523.60 − 1.90 − 48.11 145.04
5JLZ HLA DRB1*04–01 9072 1387.70 − 1.24 − 59.30 − 89.11
3FXI TLR2 15,784 2264.40 − 1.14 − 47.31 162.29
2Z7X TLR4 17,282 2301.00 − 1.69 − 50.15 13.11
DV-3 5WJL HLA-A*11–01 10,162 1642..20 − 2.51 − 41.64 307.70
5JLZ HLA DRB1*04–01 10,740 1373.90 − 3.83 − 63.84 − 111.34
3FXI TLR2 15,328 1816.70 − 4.09 − 45.59 182.27
2Z7X TLR4 15,214 1893.10 − 2.17 − 60.23 121.10
DV-4 5WJL HLA-A*11–01 10,444 2290.20 − 3.85 − 57.16 256.86
5JLZ HLA DRB1*04–01 10,350 1326.40 − 3.48 − 67.22 − 196.17
3FXI TLR2 15,726 2291.70 − 5.90 − 52.53 − 99.35
2Z7X TLR4 15,420 3052.30 − 6.31 − 50.39 464.55

H-Bond E Hydrogen bond energy; Global E Global energy, ACE Atomic contact energy

*Allelic variants.