BioMed Research International / 2021 / Article / Tab 5 / Research Article
Immunoinformatics and Molecular Docking Studies Predicted Potential Multiepitope-Based Peptide Vaccine and Novel Compounds against Novel SARS-CoV-2 through Virtual Screening Table 5 Selected epitopes for MEV along with their antigenicity, binding affinities, and other properties.
Sr. No. Protein Epitopes Antigenicity Binding score (kcal/Mol) with HLA-B7 Predicted MHC binding affinity Rescale binding affinity C-terminal cleavage affinity TAP transport efficiency Position MHC class I 1 Nsp1 HVGEIPVAY 0.81 -11.76 1.193 4.366 0.229 1.702 37-45 2 Nsp1 LSEARQHLK 0.16 -11.55 0.325 3.659 0.852 2.957 60-68 3 Replicase GSVGFNIDY 1.52 -14.25 1.212 0.311 0.955 0.857 12-21 4 Replicase LLEDEFTPF 2.37 -10.22 1.651 2.146 0.972 3.998 31-39 5 Envelope LVKPSFYVY 0.63 -10.36 1.297 3.905 0.942 2.706 9-17 6 Membrane LVGLMWLSY 0.54 -10.87 0.176 2.718 0.755 0.723 54-62 7 Membrane AGDSGFAAY 0.52 -15.00 0.158 2.649 0.806 1.676 93-101 8 Nucleocapsid LSPRWYFYY 0.87 -14.78 0.113 2.480 0.973 2.518 99-107 9 Nucleocapsid SSPDDQIGY 0.65 -13.57 0.693 0.369 0.621 2.602 154-162 10 Spikes WTAGAAAYY 0.35 -12.22 0.625 1.659 0.892 2.937 27-35 11 Spikes CNDPFLGVY 1.32 -12.63 0.812 6.211 0.365 2.857 59-67 12 Spikes ITDAVDCAL 1.52 -15.21 0.713 3.369 0.629 2.700 71-79 13 Spikes STQDLFLPF 0.57 -11.36 0.631 0.651 0.880 2.857 88-96 14 Spikes QLTPTWRVY 2.0 -10.28 0.302 2.611 0.915 2.352 112-120 15 Spikes VLPFNDGVY 1.70 -14.27 0.005 3.106 0.025 2.908 137-145 16 Spikes YQDVNCTEV 0.08 -14.26 0.117 2.835 0.932 2.716 199-207 MHC class II 17 Nsp1 DLGDELGTDPYEDFQ 0.12 -11.32 0.693 2.366 0.663 2.976 69-83 18 Replicase TLNGLWLDDVVYCPR 0.77 -12.88 0.723 0.659 0.872 2.126 101-115 19 Envelope VLLFLAFVVFLLVTL 2.52 -11.01 1.556 3.311 0.365 2.357 99-113 20 Membrane LACFVLAAVYRINWI 1.37 -13.73 1.327 2.146 0.985 2.256 127-141 21 Membrane CLLQFAYANRNRFLY 0.33 -14.58 0.786 2.805 0.900 2.799 196-210 22 Membrane AVYRINWITGGIAIA 0.55 -10.27 0.456 1.718 0.002 2.159 222-236 23 Nucleocapsid QIGYYRRATRRIRGG 0.83 -10.66 0.551 4.648 0.116 2.015 13-27 24 Nucleocapsid GTWLTYTGAIKLDDK 1.54 -13.22 1.007 3.487 0.963 2.367 47-61 25 Nucleocapsid ATKAYNVTQAFGRRG 1.12 -13.37 1.697 0.369 0.129 2.449 68-82 26 Nucleocapsid GDAALALLLLDRLNQ 2.54 -15.24 0.273 0.559 0.652 2.441 171-185 27 Spikes QSLLIVNNATNVVIK 1.02 -10.25 0.123 2.311 0.756 2.221 9-23 28 Spikes INITRFQTLLALHRS 2.38 -12.16 0.357 3.116 0.925 2.118 166-180