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. 2021 Apr 2;16(4):e0248001. doi: 10.1371/journal.pone.0248001

Table 6. Possible disulfide bond between the residues of the vaccine construct.

Residue 1 Residue 2 Bond
Chain Seq AA Chain Seq AA X3 kcal/mol ∑ B-factor
A 2 ALA A 99 PRO -67.47 5.50 5.17
A 2 ALA A 101 LEU +114.49 3.48 4.10
A 3 ALA A 102 PRO -73.27 3.51 4.13
A 4 ALA A 99 PRO -76.90 3.79 6.36
A 5 LYS A 103 HIS +81.03 3.37 6.01
A 13 PRO A 16 GLU +83.62 6.42 4.34
A 13 PRO A 74 PHE +122.24 1.95 4.61
A 24 PRO A 26 ILE +95.00 4.47 5.63
A 24 PRO A 27 SER +119.72 3.94 5.31
A 26 ILE A 31 PRO +118.95 4.74 4.57
A 27 SER A 86 LEU -61.55 3.42 4.60
A 28 GLY A 51 GLU -85.03 2.64 5.08
A 32 LYS A 38 GLY +114.69 1.93 6.06
A 52 PRO A 55 SER +123.75 6.02 5.12
A 70 ALA A 74 PHE +107.47 3.56 5.03
A 73 LEU A 108 ALA +78.29 5.00 4.98
A 77 PRO A 104 VAL +104.13 5.34 5.83
A 80 VAL A 93 ALA +87.23 6.55 5.90
A 94 ALA A 98 TRP +84.33 5.61 5.64
A 98 TRP A 100 LEU +120.55 7.58 4.13