Abstract
Bioactive peptides have attracted extensive attention worldwide as natural alternatives to promote human health and wellness. Previous studies have shown that chicken hydrolysates could enhance alcohol dehydrogenase, and subsequently they facilitate alcohol metabolism and ameliorate alcohol-induced liver injury. The data presented in this article support the accompanying research article “Isolation and identification of alcohol dehydrogenase stabilizing peptides from Alcalase digested chicken breast hydrolysates”. Present article details all 82 peptides identified from the most active fractions of chicken hydrolysates, and 154 peptides from in silico digestion of the 82 identified peptides, together with the prediction of their potential bioactivity and applicability using several in silico assays.
Keywords: Bioactive peptides, Chicken breast, Alcohol dehydrogenase stabilizing, LC-MS/MS, In silico analysis
Specifications Table
| Subject | Food science, Food biochemistry |
| Specific subject area | Bioactive peptides |
| Type of data | Table |
| How data were acquired | The Alcalase digested chicken hydrolysate was separated through size-exclusion chromatography (SEC) and reversed-phase high-performance liquid chromatography (RP-HPLC) before the identification using nano-LC and ESI-Q-ToF in tandem mass spectrometry. Peptides were sequenced through database searching using Mascot. The identified peptides were further analyzed using various in silico methods including ExPASy PeptideCutter tool, Peptide Ranker, AllerTOP, and ToxinPred. |
| Data format | Analyzed |
| Parameters for data collection | MS: Positive polarity mode. MS1 scan from 350 to 1250 m/z for 250 ms, MS2 scan from 100 to 1500 m/z for 50 ms. Ions charging 1 to 5. Mascot data analysis: Significance threshold p < 0.05, using Chordata taxonomy, none enzyme digestion, and Uniprot database. The tolerance on the mass measurement was 0.3 Da for MS1 and 100 ppm for MS2. |
| Description of data collection | Data analysis was done using ExPASy PeptideCutter tool (http://web.expasy.org/peptide_cutter/) to simulate the gastrointestinl digestion. The potential bioactivity was predicted using the Peptide Ranker software (http://distilldeep.ucd.ie/PeptideRanker/). The potential peptide allergenicity was predicted using the AllerTOP v. 2.0 software (http://www.ddg-pharmfac.net/AllerTOP/index.html). Peptide toxicity and physicochemical properties (i.e., hydrophobicity, amphipathicity, steric hindrance, and pI) were studied using the ToxinPred software (http://crdd.osdd.net/raghava/toxinpred/). |
| Data source location | Instituto de Agroquímica y Tecnología de Alimentos (CSIC), Valencia, Spain |
| Data accessibility | Within this article. |
| Related research article | Author's name: Chuqiao Xiao1,2,3, Mouming Zhao1,2, Feibai Zhou1,2, Marta Gallego3, Jie Gao1,2, Fidel Toldrá3, and Leticia Mora3* Title: Isolation and identification of alcohol dehydrogenase stabilizing peptides from Alcalase digested chicken breast hydrolysates Journal: Journal of Functional Foods DOI: https://doi.org/10.1016/j.jff.2019.103617 |
Value of the Data
|
1. Data
The data in this article include a total 82 peptides from the most active fractions of a chicken hydrolysate after SEC and RP-HPLC separation. Raw data is showed in Table 1 of Supplementary material, including search parameters. Table 1 lists all these peptides together with the potential bioactivity and applicability, indicated by Peptide Ranker score, potential peptide allergenicity, toxicity and physicochemical properties (i.e., hydrophobicity, amphipathicity, steric hindrance, pI, and molecular weight). Also, as potential functional food ingredients, peptides must be digested and absorbed through the gastrointestinal tract to exert activity. Hence, all peptides were further subjected to in silico gastrointestinal digestion and a total of 154 peptides were generated. All the 154 peptides are listed in Table 2, as well as their potential bioactivity and applicability.
Table 1.
Identified peptides and in silico prediction of their allergenicity, toxicity, and physicochemical properties.
| No. | Peptide Sequence | Peptide Ranker Score | Allergenicity Prediction | Nearest Protein | Toxicity Prediction | SVM Score | Steric Hindrance | Amphipa thicity | Hydropho bicity | pI | Molecular Weight (Da) |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | DPDDFPL | 0.91 | non-allergen | UniProtKB accession number P17676 | Non-Toxin | −0.88 | 0.6 | 0 | −0.17 | 3.43 | 817.35 |
| 2 | NKISVVGVGAVGMACAISILMKDLA | 0.86 | non-allergen | UniProtKB accession number Q10ST8 | Non-Toxin | −1.47 | 0.65 | 0.29 | 0.13 | 8.54 | 2459.33 |
| 3 | DPQYPPGPPAFP | 0.85 | non-allergen | UniProtKB accession number Q9S8M0 | Non-Toxin | −0.27 | 0.52 | 0.1 | −0.07 | 3.8 | 1281.60 |
| 4 | ADGPLKGIL | 0.77 | non-allergen | UniProtKB accession number Q9NP55 | Non-Toxin | −0.72 | 0.6 | 0.41 | 0.05 | 6.19 | 882.52 |
| 5 | RDPQYPPGPPAFP | 0.76 | non-allergen | UniProtKB accession number Q9S8M0 | Non-Toxin | −0.35 | 0.53 | 0.28 | −0.2 | 6.19 | 1437.70 |
| 6 | ARDPQYPPGPPAFP | 0.72 | non-allergen | UniProtKB accession number Q9S8M0 | Non-Toxin | −0.38 | 0.53 | 0.26 | −0.16 | 6.19 | 1508.74 |
| 7 | LPVPAFNVINGGSHAGNKL | 0.70 | non-allergen | UniProtKB accession number Q8H0K8 | Non-Toxin | −1.14 | 0.59 | 0.27 | 0.03 | 9.11 | 1904.03 |
| 8 | ENPKKYIPGTKMIFAGIK | 0.69 | non-allergen | UniProtKB accession number Q9SSX0 | Non-Toxin | −0.89 | 0.64 | 0.89 | −0.13 | 9.84 | 2034.13 |
| 9 | AGFGGDDAPRAVFP | 0.69 | non-allergen | UniProtKB accession number Q8WYQ3 | Non-Toxin | −1.19 | 0.62 | 0.18 | −0.03 | 4.21 | 1375.65 |
| 10 | GFAGDDAPRAVFP | 0.67 | non-allergen | UniProtKB accession number Q00587 | Non-Toxin | −1.16 | 0.61 | 0.19 | −0.04 | 4.21 | 1318.63 |
| 11 | DGPLKGIL | 0.66 | non-allergen | UniProtKB accession number P09564 | Non-Toxin | −0.76 | 0.62 | 0.46 | 0.03 | 6.19 | 811.48 |
| 12 | ATGNPNPDIVWLK | 0.60 | non-allergen | UniProtKB accession number Q96N21 | Non-Toxin | −0.58 | 0.6 | 0.28 | −0.06 | 6.19 | 1423.75 |
| 13 | PPGKPGPPGPPGPPGIQGIHQTL | 0.55 | non-allergen | UniProtKB accession number Q9S8M0 | Non-Toxin | −0.15 | 0.51 | 0.33 | −0.03 | 9.11 | 2195.19 |
| 14 | FDEKPADLPSL | 0.53 | non-allergen | UniProtKB accession number P23582 | Non-Toxin | −1.19 | 0.58 | 0.45 | −0.15 | 4.03 | 1230.61 |
| 15 | AVNDPFID | 0.49 | non-allergen | UniProtKB accession number P86071 | Non-Toxin | −1.03 | 0.66 | 0 | 0 | 3.57 | 889.42 |
| 16 | DVPGPVLDLKPV | 0.47 | non-allergen | UniProtKB accession number Q5T440 | Non-Toxin | −1.23 | 0.59 | 0.31 | 0.01 | 4.21 | 1247.71 |
| 17 | VIDVPGPVRNL | 0.45 | non-allergen | UniProtKB accession number Q7M2H1 | Non-Toxin | −0.6 | 0.63 | 0.22 | −0.02 | 6.19 | 1177.68 |
| 18 | VNVLDKPGPPAAF | 0.42 | non-allergen | UniProtKB accession number Q5T0Z8 | Non-Toxin | −1.16 | 0.59 | 0.28 | 0.02 | 6.19 | 1323.72 |
| 19 | FDEKPADLPSLVE | 0.39 | non-allergen | UniProtKB accession number P23582 | Non-Toxin | −1.16 | 0.6 | 0.48 | −0.13 | 3.92 | 1458.72 |
| 20 | GGFAPNILDNHEALE | 0.37 | non-allergen | UniProtKB accession number Q9C0K0 | Non-Toxin | −1.23 | 0.59 | 0.27 | −0.03 | 4.14 | 1595.76 |
| 21 | AEEEFPDL | 0.33 | non-allergen | UniProtKB accession number Q9BTT0 | Non-Toxin | −0.63 | 0.61 | 0.48 | −0.16 | 3.51 | 948.41 |
| 22 | FMVLPVGAA | 0.30 | non-allergen | UniProtKB accession number P69448 | Non-Toxin | −1.07 | 0.61 | 0 | 0.34 | 5.88 | 903.49 |
| 23 | PFQSSASSPSPSKNE | 0.30 | non-allergen | UniProtKB accession number Q8WWM7 | Non-Toxin | −0.89 | 0.55 | 0.41 | −0.26 | 6.35 | 1548.71 |
| 24 | DTFTTPGPPYAL | 0.29 | non-allergen | UniProtKB accession number P54259 | Non-Toxin | −0.54 | 0.55 | 0 | 0.01 | 3.8 | 1278.61 |
| 25 | IEDPFDQDDWE | 0.28 | non-allergen | UniProtKB accession number Q9SLY8 | Non-Toxin | −0.69 | 0.67 | 0.34 | −0.29 | 3.26 | 1407.55 |
| 26 | MVVDGVKLM | 0.25 | non-allergen | UniProtKB accession number P48494 | Non-Toxin | −1.03 | 0.7 | 0.41 | 0.11 | 6.19 | 990.52 |
| 27 | NFPTYDGKDRVIDL | 0.23 | non-allergen | UniProtKB accession number Q9H0F7 | Non-Toxin | −1.15 | 0.66 | 0.44 | −0.24 | 4.43 | 1651.82 |
| 28 | DNHEALELL | 0.23 | non-allergen | UniProtKB accession number Q9S8F6 | Non-Toxin | −1.14 | 0.55 | 0.44 | −0.13 | 4.14 | 1052.51 |
| 29 | EAEEFLPD | 0.21 | non-allergen | UniProtKB accession number A2WMG6 | Non-Toxin | −0.72 | 0.61 | 0.48 | −0.16 | 3.51 | 948.41 |
| 30 | EDLQKPVLDL | 0.19 | non-allergen | UniProtKB accession number P02647 | Non-Toxin | −1.02 | 0.62 | 0.62 | −0.18 | 4.03 | 1168.63 |
| 31 | FDPVVEEKI | 0.15 | non-allergen | UniProtKB accession number Q9S8N3 | Non-Toxin | −1.17 | 0.66 | 0.69 | −0.08 | 4.14 | 1074.56 |
| 32 | VPEDSQEECAITY | 0.15 | non-allergen | UniProtKB accession number Q84T68 | Non-Toxin | −0.79 | 0.63 | 0.39 | −0.17 | 3.51 | 1482.62 |
| 33 | DISNADRLGFSEVEQVQ | 0.10 | non-allergen | UniProtKB accession number Q99766 | Non-Toxin | −1.42 | 0.66 | 0.44 | −0.21 | 3.92 | 1905.91 |
| 34 | RDKETPSGFTLDDVIQT | 0.10 | non-allergen | UniProtKB accession number Q5SW96 | Non-Toxin | −1.42 | 0.63 | 0.51 | −0.27 | 4.23 | 1920.94 |
| 35 | LTDTPTLASPEGSGET | 0.07 | non-allergen | UniProtKB accession number Q8WYQ3 | Non-Toxin | −1.53 | 0.56 | 0.16 | −0.11 | 3.58 | 1574.73 |
| 36 | SEEEDNEEEAEV | 0.05 | non-allergen | UniProtKB accession number Q9BTT0 | Non-Toxin | −0.85 | 0.67 | 0.74 | −0.43 | 3.32 | 1407.52 |
| 37 | NVLIFDLGGGTFDVSILTIDDGIFEVK | 0.02 | non-allergen | UniProtKB accession number Q53IQ4 | Non-Toxin | −1.63 | 0.67 | 0.18 | 0.1 | 3.72 | 2896.51 |
| 38 | PATIVPIDEESRNGTILVDNMLIKGTAAGPDPTIE | 0.02 | non-allergen | UniProtKB accession number Q6UX39 | Non-Toxin | −0.86 | 0.62 | 0.28 | −0.06 | 4.02 | 3646.88 |
| 39 | RIPVVLPEDEGIYT | 0.15 | allergen | UniProtKB accession number Q6XNP7 | Non-Toxin | −1.7 | 0.63 | 0.36 | −0.06 | 4.14 | 1599.85 |
| 40 | ELGPMTKPLCLKAA | 0.61 | allergen | NCBI gi nimber 6069656 | Non-Toxin | −1.41 | 0.57 | 0.61 | −0.04 | 8.54 | 1470.79 |
| 41 | LEQNQPIDDMIPA | 0.32 | allergen | UniProtKB accession number Q01412 | Non-Toxin | −1.39 | 0.64 | 0.29 | −0.13 | 3.5 | 1482.70 |
| 42 | AYEPVWAIGTGKTATPQ | 0.22 | allergen | UniProtKB accession number P85814 | Non-Toxin | −1.28 | 0.58 | 0.36 | −0.02 | 6.35 | 1788.90 |
| 43 | GEHGDSSVPVWSGVNVA | 0.35 | allergen | UniProtKB accession number O42799 | Non-Toxin | −1.26 | 0.59 | 0.16 | 0 | 4.36 | 1695.79 |
| 44 | DLFDPVIQD | 0.18 | allergen | NCBI gi nimber 423193 | Non-Toxin | −1.25 | 0.66 | 0.14 | −0.06 | 3.43 | 1060.51 |
| 45 | VPTQHRGPVVL | 0.18 | allergen | NCBI gi nimber 741844 | Non-Toxin | −1.23 | 0.54 | 0.47 | −0.08 | 10.11 | 1201.69 |
| 46 | AVGAVFDISNADRL | 0.39 | allergen | NCBI gi nimber 1171011 | Non-Toxin | −1.2 | 0.65 | 0.18 | −0.02 | 4.21 | 1446.75 |
| 47 | AVGAVFDIS | 0.22 | allergen | NCBI gi nimber 29163773 | Non-Toxin | −1.2 | 0.65 | 0 | 0.23 | 3.8 | 877.45 |
| 48 | FPFDVPSEPK | 0.58 | allergen | NCBI gi nimber 63052 | Non-Toxin | −1.18 | 0.58 | 0.49 | −0.12 | 4.38 | 1161.57 |
| 49 | LPTGIPIVYE | 0.19 | allergen | NCBI gi nimber 50199132 | Non-Toxin | −1.08 | 0.59 | 0.13 | 0.18 | 4 | 1100.61 |
| 50 | KDLFDPVIQ | 0.27 | allergen | NCBI gi nimber 1836010 | Non-Toxin | −1.07 | 0.65 | 0.55 | −0.1 | 4.21 | 1073.58 |
| 51 | GDLGIEIPAE | 0.18 | allergen | NCBI gi nimber 542132 | Non-Toxin | −1.06 | 0.63 | 0.25 | 0.05 | 3.58 | 1012.51 |
| 52 | SNKKPELIDML | 0.46 | allergen | NCBI gi nimber 3004471 | Non-Toxin | −1.04 | 0.64 | 0.78 | −0.22 | 6.42 | 1286.69 |
| 53 | VPAFNVINGGSHAGNKL | 0.60 | allergen | UniProtKB accession number B0Y665 | Non-Toxin | −1.03 | 0.6 | 0.3 | 0.01 | 9.11 | 1693.89 |
| 54 | DLFDPVIQ | 0.31 | allergen | NCBI gi nimber 1836010 | Non-Toxin | −1.02 | 0.65 | 0.16 | 0.03 | 3.57 | 945.48 |
| 55 | DLAGRDLTDYLM | 0.36 | allergen | UniProtKB accession number Q28049 | Non-Toxin | −0.99 | 0.65 | 0.2 | −0.15 | 3.94 | 1381.65 |
| 56 | TLVDVVEDKLKGE | 0.06 | allergen | NCBI gi nimber 14148979 | Non-Toxin | −0.98 | 0.66 | 0.76 | −0.17 | 4.32 | 1443.78 |
| 57 | LLLLAPGH | 0.38 | allergen | UniProtKB accession number P01315 | Non-Toxin | −0.96 | 0.46 | 0.18 | 0.26 | 7.1 | 832.52 |
| 58 | YGKDATNVGDEGGFAPNIL | 0.32 | allergen | NCBI gi nimber 160347126 | Non-Toxin | −0.94 | 0.65 | 0.26 | −0.06 | 4.03 | 1936.92 |
| 59 | NDEELNKLLGKVT | 0.20 | allergen | NCBI gi nimber 47117355 | Non-Toxin | −0.94 | 0.65 | 0.76 | −0.26 | 4.68 | 1471.79 |
| 60 | HLDIPKML | 0.66 | allergen | UniProtKB accession number P35776 | Non-Toxin | −0.92 | 0.54 | 0.64 | −0.03 | 7.09 | 965.54 |
| 61 | IDDHFLFDKPVSP | 0.46 | allergen | NCBI gi nimber 3914446 | Non-Toxin | −0.92 | 0.58 | 0.39 | −0.08 | 4.42 | 1528.76 |
| 62 | NGDKKSLGELIHTL | 0.39 | allergen | NCBI gi nimber 261865475 | Non-Toxin | −0.92 | 0.59 | 0.72 | −0.17 | 7.1 | 1523.83 |
| 63 | INDPFIDLN | 0.60 | allergen | NCBI gi nimber 7228147 | Non-Toxin | −0.9 | 0.67 | 0 | −0.02 | 3.57 | 1059.52 |
| 64 | IDDHFLFDKPVSPL | 0.71 | allergen | NCBI gi nimber 3914446 | Non-Toxin | −0.89 | 0.58 | 0.37 | −0.04 | 4.42 | 1641.84 |
| 65 | DDHFLFDKPVSPL | 0.75 | allergen | NCBI gi nimber 3914446 | Non-Toxin | −0.87 | 0.57 | 0.39 | −0.1 | 4.42 | 1528.76 |
| 66 | NYILDHLLGSK | 0.29 | allergen | UniProtKB accession number P00709 | Non-Toxin | −0.87 | 0.58 | 0.47 | −0.06 | 7.09 | 1271.69 |
| 67 | VSHRSGETEDTFIADL | 0.10 | allergen | NCBI gi nimber 60116876 | Non-Toxin | −0.87 | 0.59 | 0.4 | −0.18 | 4.31 | 1775.83 |
| 68 | DSSTNGLISFIK | 0.32 | allergen | UniProtKB accession number Q39869 | Non-Toxin | −0.83 | 0.64 | 0.31 | −0.06 | 6.19 | 1280.66 |
| 69 | VHVLLVNPHTGAT | 0.18 | allergen | NCBI gi nimber 5689675 | Non-Toxin | −0.82 | 0.5 | 0.22 | 0.09 | 7.26 | 1356.75 |
| 70 | GPPDPILGVT | 0.83 | allergen | UniProtKB accession number Q9UMD9 | Non-Toxin | −0.81 | 0.57 | 0 | 0.1 | 3.8 | 964.52 |
| 71 | DQIDDEIKLI | 0.25 | allergen | NCBI gi nimber 28374072 | Non-Toxin | −0.8 | 0.69 | 0.62 | −0.18 | 3.84 | 1200.62 |
| 72 | DNPVDLI | 0.38 | allergen | NCBI gi nimber 105969543 | Non-Toxin | −0.79 | 0.65 | 0 | −0.05 | 3.57 | 784.40 |
| 73 | AKYGKDATNVGDEGGFAPNIL | 0.28 | allergen | NCBI gi nimber 160347126 | Non-Toxin | −0.76 | 0.65 | 0.41 | −0.09 | 4.56 | 2136.05 |
| 74 | EVMIDVLK | 0.14 | allergen | NCBI gi nimber 19039 | Non-Toxin | −0.71 | 0.69 | 0.62 | 0.02 | 4.38 | 945.52 |
| 75 | DQIDDEIKLIGY | 0.30 | allergen | UniProtKB accession number P02635 | Non-Toxin | −0.66 | 0.69 | 0.52 | −0.14 | 3.84 | 1420.71 |
| 76 | DDVIQTGVDNPGHPFIM | 0.43 | allergen | NCBI gi nimber 7228147 | Non-Toxin | −0.53 | 0.62 | 0.16 | −0.03 | 3.93 | 1853.86 |
| 77 | SLKPEFVDIINAKH | 0.40 | allergen | UniProtKB accession number Q86D83 | Non-Toxin | −0.42 | 0.59 | 0.72 | −0.11 | 7.1 | 1609.88 |
| 78 | LKPEFVDIINAKH | 0.28 | allergen | UniProtKB accession number Q86D83 | Non-Toxin | −0.42 | 0.6 | 0.77 | −0.1 | 7.1 | 1522.85 |
| 79 | NVMSGGTTMYPGIADRM | 0.18 | allergen | NCBI gi nimber 62550933 | Non-Toxin | −0.32 | 0.66 | 0.14 | −0.06 | 6.19 | 1799.80 |
| 80 | GVDNPGHPYIM | 0.69 | allergen | NCBI gi nimber 14423730 | Non-Toxin | −0.22 | 0.59 | 0.13 | 0 | 5.09 | 1198.54 |
| 81 | PDPLDPTCSLCTCEEGSMRCQKKPC | 0.80 | non-allergen | UniProtKB accession number P08603 | Toxin | 0.03 | 0.59 | 0.54 | −0.27 | 4.79 | 2740.15 |
| 82 | IPGPPTGPIKF | 0.88 | non-allergen | UniProtKB accession number Q9S8M0 | Toxin | 0.09 | 0.56 | 0.33 | 0.08 | 9.11 | 1122.64 |
Table 2.
Peptides obtained from the in silico gastrointestinal digestion simulation and prediction of their bioactivity, allergenicity, toxicity, and physicochemical properties.
| No. | Peptide Sequence | Peptide Ranker Score | Allergenicity Prediction | Nearest Protein | Toxicity Prediction | SVM Score | Steric Hindrance | Amphipa thicity | Hydropho bicity | pI | Molecular Weight (Da) |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | IF | 0.95 | non-allergen | UniProtKB accession number Q8WW43 | Non-Toxin | −0.8 | 0.7 | 0 | 0.67 | 5.88 | 278.37 |
| 2 | GPPDPIL | 0.91 | non-allergen | UniProtKB accession number Q9Y2D1 | Non-Toxin | −0.24 | 0.54 | 0 | 0.07 | 3.8 | 707.92 |
| 3 | GG | 0.89 | non-allergen | UniProtKB accession number Q04130 | Non-Toxin | −0.8 | 0.68 | 0 | 0.16 | 5.88 | 132.14 |
| 4 | DPQYPPGPPAF | 0.88 | non-allergen | UniProtKB accession number Q9S8M0 | Non-Toxin | −0.27 | 0.53 | 0.11 | −0.07 | 3.8 | 1185.44 |
| 5 | QKPVL | 0.82 | non-allergen | UniProtKB accession number P49918 | Non-Toxin | −0.88 | 0.59 | 0.98 | −0.16 | 9.11 | 583.8 |
| 6 | KPC | 0.71 | non-allergen | UniProtKB accession number P01075 | Non-Toxin | −0.72 | 0.55 | 1.22 | −0.38 | 8.57 | 346.47 |
| 7 | PEDEGI | 0.70 | non-allergen | UniProtKB accession number Q9S8M0 | Non-Toxin | −0.9 | 0.64 | 0.42 | −0.19 | 3.58 | 658.74 |
| 8 | APGH | 0.65 | non-allergen | UniProtKB accession number Q9S8K1 | Non-Toxin | −0.86 | 0.39 | 0.36 | −0.02 | 7.1 | 380.45 |
| 9 | GIL | 0.61 | non-allergen | UniProtKB accession number O14569 | Non-Toxin | −0.79 | 0.64 | 0 | 0.47 | 5.88 | 301.43 |
| 10 | AVF | 0.59 | non-allergen | UniProtKB accession number P21926 | Non-Toxin | −0.83 | 0.64 | 0 | 0.47 | 5.88 | 335.43 |
| 11 | PDP | 0.57 | non-allergen | UniProtKB accession number Q9T2Q0 | Non-Toxin | −0.82 | 0.49 | 0 | −0.29 | 3.8 | 327.36 |
| 12 | GGDDAPR | 0.56 | non-allergen | UniProtKB accession number Q7M1V9 | Non-Toxin | −1.07 | 0.63 | 0.35 | −0.39 | 4.21 | 686.76 |
| 13 | KPEF | 0.56 | non-allergen | UniProtKB accession number A6N0M9 | Non-Toxin | −0.89 | 0.6 | 1.23 | −0.3 | 6.35 | 519.64 |
| 14 | ADGP | 0.56 | non-allergen | UniProtKB accession number P83184 | Non-Toxin | −0.71 | 0.58 | 0 | −0.09 | 3.8 | 358.39 |
| 15 | GDSSVPVW | 0.56 | non-allergen | UniProtKB accession number P02747 | Non-Toxin | −0.99 | 0.59 | 0 | 0.04 | 3.8 | 846.01 |
| 16 | AGR | 0.55 | non-allergen | UniProtKB accession number P80806 | Non-Toxin | −0.78 | 0.63 | 0.82 | −0.45 | 10.11 | 302.36 |
| 17 | AG | 0.55 | non-allergen | UniProtKB accession number Q109R6 | Non-Toxin | −0.8 | 0.6 | 0 | 0.21 | 5.88 | 146.16 |
| 18 | PTGIPIV | 0.54 | non-allergen | UniProtKB accession number Q9T2Q0 | Non-Toxin | −0.81 | 0.58 | 0 | 0.26 | 5.88 | 695.96 |
| 19 | AGDDAPR | 0.54 | non-allergen | UniProtKB accession number Q7M1V9 | Non-Toxin | −1.09 | 0.61 | 0.35 | −0.37 | 4.21 | 700.78 |
| 20 | GGGT | 0.53 | non-allergen | UniProtKB accession number Q04130 | Non-Toxin | −0.77 | 0.64 | 0 | 0.07 | 5.88 | 290.33 |
| 21 | DVPGPVL | 0.50 | non-allergen | UniProtKB accession number P83184 | Non-Toxin | −0.67 | 0.58 | 0 | 0.13 | 3.8 | 695.91 |
| 22 | VDIINAK | 0.40 | non-allergen | UniProtKB accession number Q7M1V6 | Non-Toxin | −0.38 | 0.69 | 0.52 | −0.03 | 6.19 | 772.01 |
| 23 | SGVNVA | 0.39 | non-allergen | UniProtKB accession number Q9S8V2 | Non-Toxin | −0.98 | 0.65 | 0 | 0.1 | 5.88 | 545.67 |
| 24 | VIDVPGPVR | 0.34 | non-allergen | UniProtKB accession number P46269 | Non-Toxin | −0.65 | 0.63 | 0.27 | −0.01 | 6.19 | 951.26 |
| 25 | SNK | 0.33 | non-allergen | UniProtKB accession number Q7FAY6 | Non-Toxin | −0.76 | 0.66 | 1.22 | −0.67 | 9.11 | 347.4 |
| 26 | DPTCS | 0.31 | non-allergen | UniProtKB accession number P01076 | Non-Toxin | −0.88 | 0.56 | 0 | −0.24 | 3.8 | 521.59 |
| 27 | DR | 0.29 | non-allergen | UniProtKB accession number F2YHL2 | Non-Toxin | −0.8 | 0.72 | 1.23 | −1.24 | 6.19 | 289.3 |
| 28 | ACAISI | 0.29 | non-allergen | UniProtKB accession number Q7M1U1 | Non-Toxin | −0.98 | 0.6 | 0 | 0.29 | 5.85 | 576.78 |
| 29 | ISVVGVGAVGM | 0.29 | non-allergen | UniProtKB accession number Q10ST8 | Non-Toxin | −1.13 | 0.67 | 0 | 0.33 | 5.88 | 988.38 |
| 30 | INDP | 0.28 | non-allergen | UniProtKB accession number P80819 | Non-Toxin | −0.77 | 0.64 | 0 | −0.17 | 3.8 | 457.53 |
| 31 | IPGTK | 0.27 | non-allergen | UniProtKB accession number P00068 | Non-Toxin | −0.95 | 0.59 | 0.73 | −0.09 | 9.11 | 514.69 |
| 32 | GTAAGPDPTIE | 0.27 | non-allergen | UniProtKB accession number Q96IK1 | Non-Toxin | −0.84 | 0.57 | 0.12 | −0.03 | 3.67 | 1028.23 |
| 33 | AGIK | 0.25 | non-allergen | UniProtKB accession number Q109R6 | Non-Toxin | −0.85 | 0.65 | 0.92 | 0.01 | 9.11 | 387.53 |
| 34 | PVPAF | 0.23 | non-allergen | UniProtKB accession number P83184 | Non-Toxin | −0.99 | 0.53 | 0 | 0.25 | 5.88 | 529.69 |
| 35 | AIGTGK | 0.22 | non-allergen | UniProtKB accession number B8YI64 | Non-Toxin | −0.78 | 0.63 | 0.61 | 0 | 9.11 | 545.72 |
| 36 | VDNM | 0.22 | non-allergen | UniProtKB accession number Q8N0T1 | Non-Toxin | −0.76 | 0.75 | 0 | −0.14 | 3.8 | 477.58 |
| 37 | CTCEEGSM | 0.20 | non-allergen | UniProtKB accession number P30569 | Non-Toxin | −0.22 | 0.64 | 0.32 | −0.15 | 3.8 | 859.05 |
| 38 | AGNK | 0.19 | non-allergen | UniProtKB accession number Q7M1V9 | Non-Toxin | −0.74 | 0.66 | 0.92 | −0.33 | 9.11 | 388.47 |
| 39 | DNPVD | 0.19 | non-allergen | UniProtKB accession number P80098 | Non-Toxin | −0.72 | 0.67 | 0 | −0.32 | 3.57 | 558.6 |
| 40 | GSK | 0.19 | non-allergen | UniProtKB accession number Q13794 | Non-Toxin | −0.74 | 0.63 | 1.22 | −0.4 | 9.11 | 290.35 |
| 41 | DISNADR | 0.18 | non-allergen | UniProtKB accession number P41208 | Non-Toxin | −0.93 | 0.67 | 0.35 | −0.45 | 4.21 | 789.88 |
| 42 | DVPSEPK | 0.17 | non-allergen | UniProtKB accession number A0MH06 | Non-Toxin | −1.03 | 0.58 | 0.71 | −0.33 | 4.38 | 770.92 |
| 43 | AVNDP | 0.16 | non-allergen | UniProtKB accession number P80819 | Non-Toxin | −0.92 | 0.62 | 0 | −0.13 | 3.8 | 514.59 |
| 44 | IDDH | 0.16 | non-allergen | UniProtKB accession number Q9HBK9 | Non-Toxin | −0.9 | 0.55 | 0.36 | −0.28 | 4.2 | 498.54 |
| 45 | DDH | 0.16 | non-allergen | UniProtKB accession number O00421 | Non-Toxin | −0.82 | 0.51 | 0.48 | −0.61 | 4.2 | 385.36 |
| 46 | DSSTNG | 0.16 | non-allergen | UniProtKB accession number Q9S8W0 | Non-Toxin | −0.59 | 0.63 | 0 | −0.32 | 3.8 | 579.59 |
| 47 | TGAT | 0.15 | non-allergen | UniProtKB accession number Q9T2R4 | Non-Toxin | −0.78 | 0.56 | 0 | 0.01 | 5.88 | 348.4 |
| 48 | DDVIQTGVDNPGHP | 0.15 | non-allergen | UniProtKB accession number Q96IK1 | Non-Toxin | −0.53 | 0.6 | 0.19 | −0.15 | 3.93 | 1463.73 |
| 49 | GIEIPAE | 0.14 | non-allergen | UniProtKB accession number Q06I91 | Non-Toxin | −0.88 | 0.62 | 0.36 | 0.08 | 3.8 | 727.91 |
| 50 | IEDP | 0.14 | non-allergen | UniProtKB accession number P80819 | Non-Toxin | −0.72 | 0.62 | 0.32 | −0.17 | 3.67 | 472.54 |
| 51 | DNH | 0.14 | non-allergen | UniProtKB accession number Q8WW43 | Non-Toxin | −0.81 | 0.51 | 0.48 | −0.59 | 5.09 | 384.38 |
| 52 | IAD | 0.14 | non-allergen | UniProtKB accession number P86005 | Non-Toxin | −0.81 | 0.66 | 0 | 0.09 | 3.8 | 317.37 |
| 53 | IS | 0.13 | non-allergen | UniProtKB accession number P42055 | Non-Toxin | −0.8 | 0.61 | 0 | 0.23 | 5.88 | 218.27 |
| 54 | TTPGPPY | 0.13 | non-allergen | UniProtKB accession number A0MH06 | Non-Toxin | −0.2 | 0.5 | 0 | −0.06 | 5.88 | 731.89 |
| 55 | DPVIQD | 0.13 | non-allergen | UniProtKB accession number Q9S8N3 | Non-Toxin | −1.12 | 0.66 | 0.21 | −0.15 | 3.57 | 685.81 |
| 56 | VL | 0.13 | non-allergen | UniProtKB accession number P21730 | Non-Toxin | −0.8 | 0.61 | 0 | 0.54 | 5.88 | 230.33 |
| 57 | VDIINAK | 0.12 | non-allergen | UniProtKB accession number P80818 | Non-Toxin | −0.38 | 0.69 | 0.52 | −0.03 | 6.19 | 772.01 |
| 58 | AVGAV | 0.12 | non-allergen | UniProtKB accession number A9UGV5 | Non-Toxin | −0.8 | 0.62 | 0 | 0.35 | 5.88 | 415.55 |
| 59 | ETPSG | 0.11 | non-allergen | UniProtKB accession number P26436 | Non-Toxin | −0.99 | 0.56 | 0.25 | −0.19 | 4 | 489.54 |
| 60 | AEEEF | 0.11 | non-allergen | UniProtKB accession number Q9S8F6 | Non-Toxin | −0.84 | 0.65 | 0.76 | −0.2 | 3.68 | 623.67 |
| 61 | DQDD | 0.11 | non-allergen | UniProtKB accession number P60006 | Non-Toxin | −0.85 | 0.74 | 0.31 | −0.71 | 3.43 | 491.45 |
| 62 | DIS | 0.11 | non-allergen | UniProtKB accession number Q9C0F1 | Non-Toxin | −0.82 | 0.66 | 0 | −0.08 | 3.8 | 333.37 |
| 63 | VPTQH | 0.11 | non-allergen | UniProtKB accession number Q9S8X3 | Non-Toxin | −1.04 | 0.45 | 0.54 | −0.16 | 7.1 | 580.71 |
| 64 | ENPK | 0.11 | non-allergen | UniProtKB accession number P56615 | Non-Toxin | −0.77 | 0.62 | 1.23 | −0.61 | 6.35 | 486.57 |
| 65 | AK | 0.10 | non-allergen | UniProtKB accession number Q9H246 | Non-Toxin | −0.79 | 0.6 | 1.83 | −0.43 | 9.11 | 217.28 |
| 66 | EAL | 0.09 | non-allergen | UniProtKB accession number Q9S8F6 | Non-Toxin | −0.84 | 0.58 | 0.42 | 0.05 | 4 | 331.4 |
| 67 | GVT | 0.09 | non-allergen | UniProtKB accession number P31110 | Non-Toxin | −0.84 | 0.64 | 0 | 0.17 | 5.88 | 275.34 |
| 68 | EVM | 0.09 | non-allergen | UniProtKB accession number Q8NBU5 | Non-Toxin | −0.79 | 0.72 | 0.42 | 0.06 | 4 | 377.49 |
| 69 | TATPQ | 0.09 | non-allergen | UniProtKB accession number O00585 | Non-Toxin | −0.91 | 0.52 | 0.25 | −0.17 | 5.88 | 516.61 |
| 70 | VSH | 0.07 | non-allergen | UniProtKB accession number Q9NWK9 | Non-Toxin | −0.83 | 0.41 | 0.48 | −0.04 | 7.1 | 341.4 |
| 71 | IDV | 0.07 | non-allergen | UniProtKB accession number P86080 | Non-Toxin | −0.8 | 0.72 | 0 | 0.18 | 3.8 | 345.43 |
| 72 | VID | 0.06 | non-allergen | UniProtKB accession number Q08480 | Non-Toxin | −0.8 | 0.72 | 0 | 0.18 | 3.8 | 345.43 |
| 73 | VVDGVK | 0.06 | non-allergen | UniProtKB accession number P86008 | Non-Toxin | −1.07 | 0.7 | 0.61 | −0.01 | 6.19 | 615.81 |
| 74 | DPVVEEK | 0.06 | non-allergen | UniProtKB accession number Q9S8N3 | Non-Toxin | −1.02 | 0.65 | 0.89 | −0.29 | 4.14 | 814.98 |
| 75 | DT | 0.05 | non-allergen | UniProtKB accession number O75366 | Non-Toxin | −0.8 | 0.65 | 0 | −0.45 | 3.8 | 234.22 |
| 76 | SEVEQVQ | 0.05 | non-allergen | UniProtKB accession number Q9BTT0 | Non-Toxin | −1.11 | 0.66 | 0.72 | −0.26 | 3.8 | 817.95 |
| 77 | NVINGGSH | 0.04 | non-allergen | UniProtKB accession number Q99467 | Non-Toxin | −0.68 | 0.6 | 0.18 | −0.04 | 7.1 | 796.96 |
| 78 | VDVVEDK | 0.04 | non-allergen | UniProtKB accession number A2XG55 | Non-Toxin | −0.64 | 0.71 | 0.71 | −0.22 | 4.03 | 802.97 |
| 79 | NDEE | 0.04 | non-allergen | UniProtKB accession number P60006 | Non-Toxin | −0.76 | 0.72 | 0.64 | −0.65 | 3.58 | 505.48 |
| 80 | NF | 0.03 | non-allergen | UniProtKB accession number Q8H9D6 | Non-Toxin | −0.8 | 0.73 | 0 | −0.02 | 5.88 | 279.31 |
| 81 | SGETEDT | 0.03 | non-allergen | UniProtKB accession number Q9T2R4 | Non-Toxin | −1.12 | 0.63 | 0.36 | −0.35 | 3.58 | 737.76 |
| 82 | EAEE | 0.03 | non-allergen | UniProtKB accession number Q9BTT0 | Non-Toxin | −0.9 | 0.64 | 0.95 | −0.4 | 3.68 | 476.48 |
| 83 | EQNQPIDDM | 0.27 | allergen | UniProtKB accession number Q01412 | Non-Toxin | −1.34 | 0.68 | 0.42 | −0.35 | 3.5 | 1089.27 |
| 84 | ASPEGSGET | 0.14 | allergen | NCBI gi nimber 285005079 | Non-Toxin | −1.27 | 0.58 | 0.28 | −0.16 | 3.8 | 833.92 |
| 85 | PVGAA | 0.31 | allergen | NCBI gi nimber 1588669 | Non-Toxin | −1.14 | 0.56 | 0 | 0.23 | 5.88 | 413.53 |
| 86 | IPVVL | 0.24 | allergen | UniProtKB accession number P01504 | Non-Toxin | −1.06 | 0.6 | 0 | 0.45 | 5.88 | 539.79 |
| 87 | TDTPTL | 0.04 | allergen | UniProtKB accession number Q06478 | Non-Toxin | −0.97 | 0.54 | 0 | −0.13 | 3.8 | 646.77 |
| 88 | EPVW | 0.49 | allergen | UniProtKB accession number P09944 | Non-Toxin | −0.94 | 0.56 | 0.32 | · | 4 | 529.64 |
| 89 | PGIADR | 0.13 | allergen | UniProtKB accession number Q7M278 | Non-Toxin | −0.93 | 0.62 | 0.41 | −0.24 | 6.19 | 627.77 |
| 90 | KPEL | 0.19 | allergen | NCBI gi nimber 3004471 | Non-Toxin | −0.92 | 0.56 | 1.23 | −0.32 | 6.35 | 485.63 |
| 91 | DPVIQ | 0.17 | allergen | NCBI gi nimber 7228147 | Non-Toxin | −0.91 | 0.64 | 0.25 | −0.04 | 3.8 | 570.71 |
| 92 | DDVIQT | 0.09 | allergen | NCBI gi nimber 7435005 | Non-Toxin | −0.9 | 0.69 | 0.21 | −0.17 | 3.57 | 689.8 |
| 93 | DEKPADL | 0.19 | allergen | NCBI gi nimber 1480457 | Non-Toxin | −0.89 | 0.61 | 0.71 | −0.35 | 4.03 | 786.92 |
| 94 | VPAF | 0.77 | allergen | UniProtKB accession number O96522 | Non-Toxin | −0.88 | 0.57 | 0 | 0.33 | 5.88 | 432.56 |
| 95 | VPEDSQEECAIT | 0.14 | allergen | UniProtKB accession number P02636 | Non-Toxin | −0.88 | 0.62 | 0.42 | −0.19 | 3.51 | 1320.55 |
| 96 | DVSI | 0.07 | allergen | UniProtKB accession number Q94507 | Non-Toxin | −0.88 | 0.67 | 0 | 0.07 | 3.8 | 432.52 |
| 97 | VNPH | 0.20 | allergen | NCBI gi nimber 41017429 | Non-Toxin | −0.87 | 0.45 | 0.36 | −0.14 | 7.1 | 465.56 |
| 98 | GPVV | 0.21 | allergen | NCBI gi nimber 1311511 | Non-Toxin | −0.86 | 0.61 | 0 | 0.29 | 5.88 | 370.5 |
| 99 | DPDDF | 0.81 | allergen | NCBI gi nimber 110346534 | Non-Toxin | −0.85 | 0.67 | 0 | −0.32 | 3.43 | 607.62 |
| 100 | SEEEDNEEEAEV | 0.13 | allergen | UniProtKB accession number P08334 | Non-Toxin | −0.85 | 0.67 | 0.74 | −0.43 | 3.32 | 1408.46 |
| 101 | APNI | 0.38 | allergen | NCBI gi nimber 1174276 | Non-Toxin | −0.84 | 0.58 | 0 | 0.07 | 5.88 | 413.52 |
| 102 | QTL | 0.35 | allergen | UniProtKB accession number Q15517 | Non-Toxin | −0.83 | 0.58 | 0.42 | −0.11 | 5.88 | 360.45 |
| 103 | PDL | 0.41 | allergen | UniProtKB accession number P09945 | Non-Toxin | −0.82 | 0.55 | 0 | −0.09 | 3.8 | 343.41 |
| 104 | PTY | 0.27 | allergen | NCBI gi nimber 50199132 | Non-Toxin | −0.82 | 0.53 | 0 | −0.08 | 5.88 | 379.44 |
| 105 | KPV | 0.14 | allergen | NCBI gi nimber 112559 | Non-Toxin | −0.82 | 0.58 | 1.22 | −0.21 | 9.11 | 342.47 |
| 106 | TKP | 0.13 | allergen | UniProtKB accession number P86712 | Non-Toxin | −0.82 | 0.52 | 1.22 | −0.45 | 9.11 | 344.44 |
| 107 | DKPVSP | 0.19 | allergen | UniProtKB accession number P10388 | Non-Toxin | −0.81 | 0.57 | 0.61 | −0.28 | 6.19 | 641.79 |
| 108 | VNV | 0.03 | allergen | NCBI gi nimber 84698 | Non-Toxin | −0.81 | 0.72 | 0 | 0.15 | 5.88 | 330.42 |
| 109 | EVK | 0.02 | allergen | UniProtKB accession number Q1M2N1 | Non-Toxin | −0.81 | 0.69 | 1.65 | −0.39 | 6.35 | 374.47 |
| 110 | GF | 0.99 | allergen | UniProtKB accession number P10385 | Non-Toxin | −0.8 | 0.69 | 0 | 0.39 | 5.88 | 222.26 |
| 111 | PSL | 0.94 | allergen | NCBI gi nimber 33323477 | Non-Toxin | −0.8 | 0.47 | 0 | 0.07 | 5.88 | 315.4 |
| 112 | IM | 0.70 | allergen | NCBI gi nimber 256636 | Non-Toxin | −0.8 | 0.74 | 0 | 0.49 | 5.88 | 262.39 |
| 113 | IG | 0.50 | allergen | NCBI gi nimber 208605348 | Non-Toxin | −0.8 | 0.69 | 0 | 0.45 | 5.88 | 188.25 |
| 114 | IPA | 0.43 | allergen | NCBI gi nimber 23616947 | Non-Toxin | −0.8 | 0.53 | 0 | 0.3 | 5.88 | 299.4 |
| 115 | AR | 0.39 | allergen | UniProtKB accession number P82901 | Non-Toxin | −0.8 | 0.6 | 1.23 | −0.76 | 10.11 | 245.29 |
| 116 | GD | 0.39 | allergen | UniProtKB accession number P28508 | Non-Toxin | −0.8 | 0.72 | 0 | −0.28 | 3.8 | 190.17 |
| 117 | PATIVPIDEESR | 0.22 | allergen | NCBI gi nimber 4097481 | Non-Toxin | −0.8 | 0.6 | 0.42 | −0.17 | 4.14 | 1326.63 |
| 118 | IH | 0.21 | allergen | NCBI gi nimber 729979 | Non-Toxin | −0.8 | 0.35 | 0.72 | 0.16 | 7.1 | 268.34 |
| 119 | AA | 0.19 | allergen | UniProtKB accession number P86755 | Non-Toxin | −0.8 | 0.52 | 0 | 0.25 | 5.88 | 160.18 |
| 120 | NK | 0.16 | allergen | NCBI gi nimber 218059728 | Non-Toxin | −0.8 | 0.72 | 1.83 | −0.87 | 9.11 | 260.31 |
| 121 | DH | 0.15 | allergen | UniProtKB accession number P20347 | Non-Toxin | −0.8 | 0.38 | 0.72 | −0.56 | 5.09 | 270.26 |
| 122 | GEH | 0.13 | allergen | NCBI gi nimber 102834 | Non-Toxin | −0.8 | 0.45 | 0.91 | −0.29 | 5.25 | 341.36 |
| 123 | ID | 0.13 | allergen | UniProtKB accession number Q94507 | Non-Toxin | −0.8 | 0.73 | 0 | 0.01 | 3.8 | 246.28 |
| 124 | GE | 0.11 | allergen | UniProtKB accession number P28508 | Non-Toxin | −0.8 | 0.68 | 0.64 | −0.23 | 4 | 204.2 |
| 125 | SL | 0.11 | allergen | NCBI gi nimber 267048 | Non-Toxin | −0.8 | 0.53 | 0 | 0.14 | 5.88 | 218.27 |
| 126 | IK | 0.10 | allergen | NCBI gi nimber 157829757 | Non-Toxin | −0.8 | 0.69 | 1.83 | −0.19 | 9.11 | 259.37 |
| 127 | TD | 0.09 | allergen | NCBI gi nimber 50199132 | Non-Toxin | −0.8 | 0.65 | 0 | −0.45 | 3.8 | 234.22 |
| 128 | PD | 0.09 | allergen | NCBI gi nimber 4138171 | Non-Toxin | −0.8 | 0.56 | 0 | −0.4 | 3.8 | 230.23 |
| 129 | TIDDGI | 0.09 | allergen | UniProtKB accession number P26213 | Non-Toxin | −0.8 | 0.69 | 0 | 0 | 3.57 | 632.75 |
| 130 | VH | 0.07 | allergen | UniProtKB accession number P16347 | Non-Toxin | −0.8 | 0.35 | 0.72 | 0.07 | 7.1 | 254.31 |
| 131 | NV | 0.06 | allergen | NCBI gi nimber 14423664 | Non-Toxin | −0.8 | 0.73 | 0 | −0.05 | 5.88 | 231.27 |
| 132 | DK | 0.06 | allergen | UniProtKB accession number P00712 | Non-Toxin | −0.8 | 0.72 | 1.83 | −0.91 | 6.19 | 261.29 |
| 133 | ED | 0.03 | allergen | UniProtKB accession number Q39858 | Non-Toxin | −0.8 | 0.72 | 0.64 | −0.67 | 3.67 | 262.23 |
| 134 | VT | 0.03 | allergen | UniProtKB accession number Q17282 | Non-Toxin | −0.8 | 0.61 | 0 | 0.18 | 5.88 | 218.27 |
| 135 | VE | 0.02 | allergen | NCBI gi nimber 76097511 | Non-Toxin | −0.8 | 0.69 | 0.64 | −0.04 | 4 | 246.28 |
| 136 | IDM | 0.48 | allergen | UniProtKB accession number Q94507 | Non-Toxin | −0.79 | 0.75 | 0 | 0.09 | 3.8 | 377.49 |
| 137 | GK | 0.30 | allergen | UniProtKB accession number P09944 | Non-Toxin | −0.79 | 0.68 | 1.83 | −0.47 | 9.11 | 203.26 |
| 138 | DIPK | 0.28 | allergen | NCBI gi nimber 208605348 | Non-Toxin | −0.79 | 0.62 | 0.92 | −0.29 | 6.19 | 471.6 |
| 139 | DATNVGDEGG | 0.10 | allergen | NCBI gi nimber 160347120 | Non-Toxin | −0.79 | 0.68 | 0.13 | −0.16 | 3.5 | 934.02 |
| 140 | NVM | 0.13 | allergen | UniProtKB accession number P00777 | Non-Toxin | −0.78 | 0.75 | 0 | 0.05 | 5.88 | 362.48 |
| 141 | CQK | 0.28 | allergen | NCBI gi nimber 3318885 | Non-Toxin | −0.77 | 0.66 | 1.64 | −0.58 | 8.57 | 377.49 |
| 142 | QSSASSPSPSK | 0.27 | allergen | NCBI gi nimber 886967 | Non-Toxin | −0.76 | 0.53 | 0.45 | −0.29 | 9.11 | 1062.23 |
| 143 | DGK | 0.21 | allergen | UniProtKB accession number O60023 | Non-Toxin | −0.76 | 0.71 | 1.22 | −0.55 | 6.19 | 318.36 |
| 144 | DGP | 0.66 | allergen | NCBI gi nimber 122064581 | Non-Toxin | −0.74 | 0.6 | 0 | −0.21 | 3.8 | 287.3 |
| 145 | GPM | 0.96 | allergen | UniProtKB accession number P00974 | Non-Toxin | −0.71 | 0.61 | 0 | 0.12 | 5.88 | 303.41 |
| 146 | NGTI | 0.15 | allergen | NCBI gi nimber 18568322 | Non-Toxin | −0.71 | 0.67 | 0 | 0.02 | 5.88 | 403.49 |
| 147 | NGDK | 0.94 | allergen | UniProtKB accession number Q2YFF0 | Non-Toxin | −0.69 | 0.72 | 0.92 | −0.57 | 6.19 | 432.48 |
| 148 | DQIDDEIK | 0.13 | allergen | NCBI gi nimber 47117350 | Non-Toxin | −0.61 | 0.71 | 0.77 | −0.39 | 3.84 | 975.13 |
| 149 | DKPGPPAA | 0.50 | allergen | NCBI gi nimber 27806257 | Non-Toxin | −0.55 | 0.53 | 0.46 | −0.17 | 6.19 | 751.93 |
| 150 | GVDNPGHP | 0.42 | allergen | NCBI gi nimber 285005081 | Non-Toxin | −0.53 | 0.54 | 0.18 | −0.13 | 5.09 | 791.93 |
| 151 | ATGNPNPDIV | 0.23 | allergen | NCBI gi nimber 7489357 | Non-Toxin | −0.42 | 0.61 | 0 | −0.06 | 3.8 | 997.21 |
| 152 | SGGTTMY | 0.05 | allergen | NCBI gi nimber 56417504 | Non-Toxin | −0.38 | 0.63 | 0 | 0 | 5.88 | 715.87 |
| 153 | PPGKPGPPGPPGPPGIQGIH | 0.38 | allergen | NCBI gi nimber 1168171 | Non-Toxin | −0.09 | 0.5 | 0.32 | −0.02 | 9.11 | 1854.45 |
| 154 | IPGPPTGPIK | 0.72 | non-allergen | UniProtKB accession number Q9S8M0 | Toxin | 0.07 | 0.54 | 0.37 | 0.02 | 9.11 | 976.33 |
2. Experimental design, materials, and methods
2.1. Preparation and separation of chicken peptides
Peptides were produced and separated according to our previous study with slight modification [1]. In brief, chicken breast was digested in tris-HCl buffer (50 mM, pH 8.0, 1:5 m/v) by Alcalase 2.4L (0.5% w/w, protein basis) for 8 h. The hydrolysates were then centrifuged (10000 rpm, 20 min, 4 °C), and deproteinized (adding 3 volumes of ethanol, stored at 4 °C, 20h before centrifugation). After centrifugation at 10000 rpm at 4 °C for 20 min, the ethanol was removed in a rotatory evaporator, and the peptides were lyophilized and re-dissolved in distilled water for Sephadex G25 separation. The peptides were eluted using 0.01 N HCl at 4 °C with a flow rate of 5 mL/20 min. Fractions were collected, lyophilized and re-dissolved in distilled water for analysis and separation.
The most active fraction obtained from G25 fractionation was further isolated using HPLC with a Symmetry C18 column. The mobile phases consisted of solvent A: 0.1% v/v trifluoroacetic acetic acid (TFA) and solvent B: 0.085% v/v TFA in acetonitrile (ACN). Peptides were diluted using the following gradient: 0% B from 0 to 2 min, linearly increasing to 30% B at 50 min, 60% B at 60 min and 100% B at 65 min under a flow rate of 1 mL/min. Fractions were collected, lyophilized, and re-dissolved for analysis and identification.
2.2. Identification of peptide sequences
Peptides were identified using nano-LC tandem nanoelectrospray ionization source-quadrupole-time-of-flight (nanoESI-Q-ToF) MS/MS (AB Sciex Instruments, MA, USA). The sample was concentrated using Zip-Tip C18 (Millipore Corporation, Bedford, MA) before loaded onto an Eksigen trap column (3 μm C18-CL, 350 μm × 0.5 mm). Peptides were eluted using an analytical column (3 μm C18-CL, 75 μm × 123 mm; Nikkyo Technos Co, Ltd. Japan) under a flow rate of 0.3 μL/min at 30 °C. The mobile phases consisted of solvent A: 0.1% v/v formic acid (FA) in water and solvent B: 1% FA in acetonitrile (ACN). Peptides were eluted linearly from 5% to 35% solvent B over the first 20 min, and then from 35% to 65% solvent B for 10 min.
The flow from the LC was ionized applying 2.8 kV. The Q-ToF was operated in positive polarity and information-dependent acquisition mode. MS1 scan was acquired from 350 to 1250 m/z for 250 ms, while MS2 scan was required from 100 to 1500 m/z for 50 ms on 50 of the most intense ions charging from 1 to 5. Up to 25 ions were selected for fragmentation after each survey scan. Dynamic exclusion was set to 15 s.
The database searching of peptides was performed using the Mascot Distiller v2.4.2.0 software (Matrix Science, Inc., Boston, MA; http://www.matrixscience.com), and Mascot search engine with a significance threshold p < 0.05 using Chordata taxonomy, none enzyme digestion, and Uniprot database. The tolerance on the mass measurement was 0.3 Da for MS and 100 ppm for MS/MS.
2.3. In silico analysis of peptide bioactivity and applicability
In silico gastrointestinal digestion was assessed using the ExPASy PeptideCutter tool (http://web.expasy.org/peptide_cutter/). PeptideCutter predicts the potential cleavage sites by proteases in a given peptide sequence, according to the specific cleavage sites of proteases, and thus generate new peptides [2]. In present study, pepsin (pH 1.3 and pH > 2.0), trypsin, and chymotrypsin were chosen as digesting enzymes [3].
The potential bioactivity was predicted using the Peptide Ranker software (http://distilldeep.ucd.ie/PeptideRanker/) [4]. The prediction of peptide bioactivity was focused on particular amino acid residues as certain classes of bioactive peptides have specific structure features and amino acid sequences [5]. Peptides were scored from 0 to 1 and higher value means higher probability to be bioactive.
The potential peptide allergenicity was predicted using the AllerTOP v. 2.0 software (http://www.ddg-pharmfac.net/AllerTOP/index.html) [6]. Peptides were classified by k-nearest neighbor algorithm based on training set containing 2427 known allergens from different species and 2427 non-allergens.
Peptide toxicity and physicochemical properties (i.e., hydrophobicity, amphipathicity, steric hindrance, pI, and molecular weight) were studied using the ToxinPred software (http://crdd.osdd.net/raghava/toxinpred/) [7]. Peptide toxicity was predicted mainly according to the amino acid composition and position of peptides. The models were developed based on machine learning technique and quantitative matrix using more than 1805 toxic peptides.
Acknowledgments
This work was supported by Grant AGL2017-89381-R and FEDER funds from the Spanish Ministry of Economy, Industry and Competitiveness, the National Natural Science Foundation of China (No. 31701539 and No.31871746) and the Natural Science Foundation of Guangdong Province (No. 2017A030313127). We also thank Ramón y Cajal postdoctoral contract by L.M. and the China Scholarship Council (CSC) research program for providing funding for C. X.
Footnotes
Supplementary data to this article can be found online at https://doi.org/10.1016/j.dib.2020.105163.
Conflict of Interest
The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
Appendix A. Supplementary data
The following is the Supplementary data to this article:
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