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BPP-Tool is to predict whether the peptide has a bitter taste based on peptide sequence characteristics.
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| Free energy of transfer (△f and △F) of the side chains of amino acids, representing their hydrophobicity. | ||||||
| Amino acid | Three-letter | Single letter | R groups (cal/mol) | △f-value (cal/mol) | △F-value | Bitterness |
| Glutamine | Gln | Q | 2 | -100 | +970 | Non-bitter amino acids |
| Asparagine | Asn | N | 2 | -10 | +890 | |
| Glycine | Gly | G | 2 | 0 | +810 | |
| Serine | Ser | S | 2 | 40 | +420 | |
| Threonine | Thr | T | 2 | 440 | +290 | |
| Histidine | His | H | 3 | 500 | +690 | |
| Aspartic acid | Asp | D | 4 | 540 | +610 | |
| Glutamic acid | Glu | E | 4 | 550 | +510 | |
| Arginine | Arg | R | 3 | 730 | +690 | |
| Alanine | Ala | A | 1 | 730 | +610 | |
| Cysteine | Cys | C | 2 | 0 | +360 | |
| Methionine | Met | M | 1 | 1300 | -660 | Bitter amino acids |
| Lysine | Lys | K | 3 | 1500 | +460 | |
| Valine | Val | V | 1 | 1690 | -750 | |
| Leucine | Leu | L | 1 | 2420 | -1650 | |
| Proline | Pro | P | 1 | 2620 | -170 | |
| Phenylalanine | Phe | F | 1 | 2650 | -1520 | |
| Tyrosine | Tyr | Y | 2 | 2870 | -1430 | |
| Isoleucine | Ile | I | 1 | 2970 | -1450 | |
| Tryptophan | Trp | W | 1 | 3000 | -1200 | |
| Reference |
[1] Ney K H. Prediction of bitterness of peptides from their amino acid composition[J]. Z.lebensm.unters.forsch, 1971, 147(2):64-68. [2] Ney K H. Bitterness of peptides: amino acid composition and chain length.[C]// ACS Symposium Series. 1979:149–173. [3] L. Lemieux, R.E. Simard. Bitter flavour in dairy products. II. A review of bitter peptides from caseins: their formation, isolation and identification, structure masking and inhibition[J]. Dairy Science & Technology, 1992, 72(4):335-385. |
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