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. 2020 Sep 1;85:104517. doi: 10.1016/j.meegid.2020.104517

Table 6.

Docking score of vaccine construct V3 with different HLA alleles and human immune receptors.

Vaccine construct PDB ID's HLAs Global energy Hydrogen bond energy ACE Score Area
V1 1a6a −11.07 −2.61 8.85 17,640 2211.50
1h15 −17.51 −1.51 4.35 15,862 2302.20
2fse −5.38 0.00 5.61 16,720 2493.50
2q6w −10.48 −0.39 −1.45 15,348 2289.00
2seb 9.03 0.00 0.20 17,640 2903.00
3c5j −25.18 −4.60 8.20 16,804 3022.80
V2 1a6a −37.24 −3.11 −9.54 19,666 2703.90
1h15 −9.33 0.00 4.33 16,132 2312.70
2fse −0.33 0.00 −0.60 16,702 2956.10
2q6w −10.85 −3.06 1.20 15,062 1924.40
2seb 1.38 0.00 −0.79 18,008 3034.30
3c5j 10.58 −1.56 5.54 16,158 2385.30
V3 1a6a −4.14 −1.49 12.24 14,358 2208.30
1h15 −3.15 −4.45 10.93 13,908 1637.70
2fse −8.68 −2.76 9.98 18,340 3024.40
2q6w −21.02 −2.41 5.05 17,060 2626.90
2seb −17.54 −5.91 3.87 16,094 2946.80
3c5j −2.30 0.00 −2.30 18,550 3041.00