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. 2015 May 19;5(6):877–882. doi: 10.1007/s13205-015-0303-8

Table 3.

Docking result of epitopes with allele structures

Protein Peptide/epitope Allele BE IME IE TorE VdwE EE
Nucleocapsid VPATNSPEL HLA-B7 −5.07 −12.52 −4.06 7.46 −9.47 −3.05
SLLNLRSRL HLA-A2 −1.45 −12.49 −4.94 11.04 −11.75 −0.74
Phosphoprotein EPYGAAVQL HLA-B*5102 −1.27 −9.33 −7.82 8.05 −9.57 0.24
NPADDNDSL HLA-B*5102 −0.65 −9.3 −0.89 8.65 −8.13 −1.16
Matrix IAFNLLVYL HLA-A*0201 −1.98 −11.52 −5.23 9.55 −11.3 −0.22
FQKNLCFSL HLA-B*2705 0.35 −10.39 −4.94 10.74 −8.36 −2.03
Fusion LLFVFGPNL HLA-A2 −3.11 −11.76 −4.98 8.65 −10.47 −1.29
KQTELSLDL HLA-B*2705 2.72 −8.32 −6.03 11.04 −8.14 −0.18
AQITAGVAL HLA-B*2705 −0.64 −8.39 −3.49 7.76 −6.6 −1.8
Glycoprotein RIIGVGEVL HLA-B*2705 0.36 −9.18 −3.76 9.55 −8.49 −0.69
EGLLDSKIL HLA-B*5102 0.05 −10.39 −5.75 10.44 −10.13 −0.26
ILSAFNTVI HLA-A2 −1.04 −9.98 −8.09 8.95 −9.94 −0.05
L protein NPQEKICVL HLA-B*5102 0.55 −10.49 −5.44 11.04 −10.62 0.14
FPLWSTEEL HLA-B*5102 1.31 −8.53 −6.14 9.84 −7.25 −1.28
W protein DGDVERRNL HLA-B*5101 2.58 −8.46 −3.91 11.04 −8.34 −0.12
V protein NPTAVPFTL HLA-B*2705 −3.13 −10.29 −3.5 7.16 −9.31 −0.98
DGDVERRNL HLA-B*5101 2.38 −8.66 −3.8 11.04 −7.75 −0.9
KEEPPQKRL HLA-B*2705 −0.26 −11.59 −4.3 11.34 −8.63 −2.97
C protein PDMDLLQAL HLA-B*2705 1.76 −8.09 −4.61 9.84 −6.07 −2.02
MMASILLTL HLA-B*2705 −2.38 −12.22 −2.54 9.84 −11.46 −0.76

BE binding energy, IME intermolecular energy, IE internal energy, TorE torsional energy, VdwE Vdw-lbDesolv energy, EE electrostatic energy