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. 2020 Apr 27;11:607. doi: 10.3389/fimmu.2020.00607

TABLE 1.

Correlation of the in silico analysis data with experimental data of cross-reactivity.

MHC binding affinity
Ranks (%) of being presented
Experimental data
Epitope Peptide Sq NetMHC 4.0
IEDB
NetCTLpan [Peptide] (μg/ml)
Affinity (nM) Rank (%) Rank (%) 1.0 0.01
AFP158 FMNKFIYEI 3.2 0.01 0.2 0.01 ++++ ++++
ENPP1436 YLNKYLGDV 28.67 0.4 0.6 1 +++ +
RCL1215 ILNKFIPDI 64.06 0.8 2 0.8 −/−/++ −/−/+
FL2D189 LQKKYSEEL 11170.64 17 22 6 +/+/++ −/−/−
EPG51033 SIEKFCAEG 20847.93 29 37 50 −/−/+ −/−/−

The peptide’s HLA-A2 binding affinity is analyzed by NetMHC4.0 and IEDB software. The likelihood (rank) of the peptides being processed and presented by MHC molecules is analyzed by NetCTLpan program. The lower the number, the higher the chance of that peptide being processed and presented. The rank of NetMHC4.0 binding affinity is based on 400,000 random natural peptides. The ranks of the peptide being processed and presented is based on 200,000 random natural peptides. The wet laboratory experimental data of cross reactivity is shown in the last column. In the last column where the reactivity is different among TCR1, 2, and 3, their reactivity is indicated as TCR1/TCR2/TCR3.