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. 2021 Jan 5;8:622632. doi: 10.3389/fchem.2020.622632

Table 4.

The 20 interacting residues from the decomposition analysis of Severe Acute Respiratory Syndrome Coronavirus-2 spike protein—ACE2 complex and their energy.

Residue van der Waals Electrostatic Polar solvation Non-polar solvation Total
Val445 −0.311 −2.402 2.477 −0.113616 −0.349616
Gly446 −0.385 1.558 −1.172 −0.1263888 −0.1253888
Leu455 −0.971 −0.862 1.079 −0.1799856 −0.9339856
Thr478 −0.419 −0.473 0.702 −0.1375488 −0.3275488
Glu484 −0.822 100.71 −99.548 −0.2132928 0.1267072
Gly485 −1.044 0.466 0.272 −0.1362312 −0.4422312
Phe:486 −6.396 −3.798 4.073 −1.11034 −7.23134
Tyr:489 −4.958 −11.682 10.557 −0.55015 −6.63315
Gly496 −0.412 0.483 −0.12 −0.0960624 −0.1450624
Gln498 −1.528 2.017 −0.13 −0.29088 0.06812
Thr:500 −3.922 −4.18 4.737 −0.71958 −4.08458
Asn:501 −2.079 −9.038 7.484 −0.12496 −3.75796
Tyr:505 −3.503 −2.343 3.597 −0.57291 −2.82191
Gln:493 −2.628 −2.711 3.95 −0.52306 −1.91206
Gly:502 −0.508 −3.913 2.715 −0.19863 −1.90463
Phe:456 −1.989 −0.354 1.033 −0.3534 −1.6634
Tyr:449 −2.24 −2.808 4.02 −0.53238 −1.56038
Phe:490 −0.879 0.908 −1.492 −0.09493 −1.55793
Asn:487 −1.824 −4.005 4.825 −0.16806 −1.17206
Ser:494 −0.428 −0.841 0.254 −0.10336 −1.11836