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. 2020 Feb 3;29:105163. doi: 10.1016/j.dib.2020.105163

Data on bioactive peptides derived from chicken hydrolysate with potential alcohol dehydrogenase stabilizing activity and in silico analysis of their potential activity and applicability

Chuqiao Xiao a,b,c, Mouming Zhao a,b, Feibai Zhou a,b, Marta Gallego c, Fidel Toldrá c, Leticia Mora c,
PMCID: PMC7016240  PMID: 32071961

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
  • The data in this article includes a series of bioactive peptides separated and identified from a chicken hydrolysate that has been reported to exert alcohol dehydrogenase stabilizing activity. The potential bioactivity and applicability have been assessed and listed in this article.

  • This article can benefit those who are interested in the separation and identification of bioactive peptides from food protein, with potential protection against alcoholic liver injury.

  • The data can provide some useful information about the amino acid composition of the potential bioactive peptides, which is important for the quantitative-structure activity relationship (QSAR) study of bioactive peptides. Also, some of the peptides are assessed to be neither bioactive nor physically stable, and this information could result useful in future research.

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

Appendix A

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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