Research Article

In Silico Characterization of an Important Metacyclogenesis Marker in Leishmania donovani, HASPB1, as a Potential Vaccine Candidate

Table 1

Prediction of different characteristics of L. donovani HASPB1, using different immunoinformatics web servers.

In silico predicted parametersUsed servers and web addressesL. donovani HASPB1

AntigenicityVaxiJen v2.0, http://www.ddg-pharmfac.net/vaxijen/1.4409
AllergenicityAlgPred v2.0, https://webs.iiitd.edu.in/raghava/algpred2/Yes
Protein solubilityProtein-sol, https://protein-sol.manchester.ac.uk/0.749 (highly soluble)
Number of residuesExPASy ProtParam, https://web.expasy.org/protparam/401
Molecular weight42196.62
pI4.64
Positively charged residues (Arg+Lys)53
Negatively charged residues (Asp + Glu)106
Half-life in mammalian reticulocytes30 hours
Instability index21.34 (stable)
Aliphatic index5.89
GRAVY score-2.322 (highly hydrophilic)
Signal peptideSignalP-6.0, https://services.healthtech.dtu.dk/service.php?SignalP-6.0No signal peptide (sec/SPI)
Transmembrane domainDeepTMHMM, https://dtu.biolib.com/DeepTMHMMNo (most likely globular)
Subcellular localizationDeepLoc2.0, https://services.healthtech.dtu.dk/service.php?DeepLoc-2.0Cell membrane (0.63)
N-GlycosylationNetNGlyc-1.0, https://services.healthtech.dtu.dk/service.php?NetNGlyc-1.0Single site at position 44
O-GlycosylationNetOGlyc-4.0, https://services.healthtech.dtu.dk/service.php?NetOGlyc-4.016 sites at positions 3, 4, 6, 9, 23, 24, 32, 39, 41, 46, 96, 110, 124, 180, 320, and 334
PalmitoylationCSS-palm, http://csspalm.biocuckoo.org/Single site at position 5
Serine (S), threonine (T), and tyrosine (Y) phosphorylationNetPhos-3.1, https://services.healthtech.dtu.dk/service.php?NetPhos-3.128 sites at positions: 4, 9, and 36 (S); 6, 23, 32, 54, 68, 82, 96, 110, 124, 138, 152, 166, 180, 194, 208, 222, 236, 250, 264, 278, 292, 306, 320, 334, and 348 (T)
Lysine acetylationGPS-PAIL, http://pail.biocuckoo.org/11 sites at positions 7, 11, 15, 22, 63, 77, 91, 105, 119, 133, and 147
Secondary structureNetSurfP-3.0, https://services.healthtech.dtu.dk/service.php?NetSurfP-3.0Exposed residues in most sites, coils are frequent with a high probability of disordered regions
Tertiary structure (3D model)I-TASSER, https://zhanggroup.org/I-TASSER/-score: -0.79, estimated TM-score: , estimated root-mean-square deviation (RMSD): ā€‰Ć