Table 2 Results of peptide aptamer docking results and physicochemical properties (Water. Sol: water solubility. M. W: molecular weight.)
From: Peptide aptamer-based time-resolved fluoroimmunoassay for CHIKV diagnosis
Label | CHIKV | DENV | ZIKV | Net Charge at PH 7.0 | Water. Sol | M.W | |||
|---|---|---|---|---|---|---|---|---|---|
Average binding energy(kcal/mol) | Average RMSD(Å) | Average binding energy(kcal/mol) | Average RMSD(Å) | Average binding energy(kcal/mol) | Average RMSD(Å) | ||||
B1 | -5.90 | 4.21 | -5.04 | 5.38 | -5.69 | 8.24 | -3.02 | good | 1328.59 |
B2 | -6.60 | 3.68 | -6.02 | 5.53 | -5.23 | 7.37 | -2.02 | good | 1275.62 |
B3 | -6.70 | 4.18 | -5.61 | 4.42 | -5.22 | 6.41 | -1.02 | good | 919.40 |
B4 | -6.40 | 4.17 | -5.66 | 5.80 | -5.97 | 7.84 | 2.21 | poor | 1310.71 |
B5 | -6.17 | 4.99 | -5.63 | 4.73 | -5.16 | 6.19 | 0.98 | good | 1210.65 |
B6 | -6.58 | 4.17 | -5.83 | 4.01 | -6.62 | 4.35 | -2.02 | good | 836.38 |
B7 | -5.72 | 2.39 | -7.38 | 1.25 | -8.04 | 1.40 | -0.02 | good | 642.33 |
B8 | -5.94 | 3.06 | -5.32 | 3.60 | -5.28 | 3.52 | -0.02 | good | 804.38 |
B9 | -5.83 | 4.31 | -5.18 | 4.47 | -6.49 | 3.90 | 0.95 | good | 954.38 |
B10 | -5.62 | 4.42 | -5.54 | 3.67 | -5.10 | 3.97 | -1.02 | good | 873.44 |
B11 | -6.46 | 4.40 | -5.63 | 3.43 | -6.47 | 4.06 | -2.02 | good | 858.41 |
B12 | -5.43 | 4.23 | -5.91 | 4.08 | -5.62 | 4.49 | 0.98 | good | 801.50 |
B13 | -6.02 | 4.53 | -4.44 | 4.58 | -5.74 | 5.31 | 0.95 | good | 1079.47 |
B14 | -5.09 | 4.57 | -5.08 | 1.30 | -5.98 | 4.84 | -0.79 | good | 1255.60 |
B15 | -6.49 | 6.14 | -5.18 | 5.24 | -6.48 | 5.33 | -0.02 | good | 1162.56 |
B16 | -6.03 | 3.59 | -4.48 | 3.49 | -6.01 | 3.63 | 1.94 | poor | 685.29 |
T1 | -6.14 | 2.68 | -5.52 | 3.38 | -5.71 | 5.81 | -0.02 | good | 1989.94 |
T2 | -6.26 | 5.78 | -6.33 | 5.97 | -6.99 | 7.87 | 3.97 | good | 1684.68 |
T3 | -6.44 | 5.01 | -5.50 | 4.62 | -7.29 | 5.87 | 0.98 | poor | 1179.62 |
T4 | -5.91 | 3.54 | -5.34 | 4.17 | -6.52 | 5.58 | -0.02 | good | 720.34 |
T5 | -6.41 | 4.57 | -5.84 | 4.04 | -6.03 | 5.92 | 2.97 | good | 1351.63 |