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Table 5 Physicochemical property evaluation of vaccine construct

From: In silico formulation of a next-generation multiepitope vaccine for use as a prophylactic candidate against Crimean-Congo hemorrhagic fever

Evaluating parameters

TLR4 adjuvant-vaccine (V1)

TLR3/TLR8 adjuvant-vaccine (V2)

Number of amino acids

260

199

Molecular weight

27,611.20

21,730.75

Chemical formula

C1273H2001N305O361S8

C999H1567N261O257S12

Theoretical PI

4.75

9.37

Total number of atoms

3948

3096

Total number of negatively charged residues (Asp + Glu)

34

13

Total number of positively charged residues (Arg + Lys)

23

25

Extinction coefficient (at 280 nm in H2O)

29,700

38,555

Estimated half-life (mammalian reticulocytes, in vitro)

30 h

30 h

Estimated half-life (yeast cells, in vivo)

 > 20 h

 > 20 h

Estimated half-life (Escherichia coli, in vivo)

 > 10 h

 > 10 h

Instability index

30.24 (stable)

38.12 (stable)

Aliphatic index

106.73

96.28

Grand average of hydropathicity (GRAVY)

0.418

0.292

Immunogenicity

3.87883

1.90516

Antigenicity (VaxiJen)

0.5174 (antigen)

0.6203 (antigen)

Antigenicity (ANTIGENpro)

0.209754

0.292126

Allergenicity (AllerTOP)

Non-allergen

Non-allergen

Allergenicity (Allergenfp)

Allergen

Non-allergen

Solubility (SolPro)

0.965681 (soluble)

0.601 (soluble)

Solubility (Protein-Sol)

0.669 (soluble)

0.703733 (soluble)