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 |