Raw data of amino acids.

The following information is tab-separated:

  • Name
  • 3-Letter-Code
  • 1-Letter-Code
  • Molecular formula
  • SMILES
  • polar/nonpolar
  • neutral/positive/negative
  • Hydropathy index
  • pI
  • pK1 (-COOH)
  • pK2 (-NH3)

Here is the data:

Alanine Ala     A       C3H7NO2 O=C(O)C(N)C     nonpolar        neutral 1.8     nonessential    6.01    2.35    9.87
Arginine        Arg     R       C6H14N4O2       O=C(O)C(N)CCC/N=C(\N)N  polar   positive        −4.5    essential       10.76   1.82    8.99
Asparagine      Asn     N       C4H8N2O3        O=C(N)C[C@H](N)C(=O)O   polar   neutral −3.5    nonessential    5.41    2.14    8.72
Asparticacid    Asp     D       C4H7NO4 O=C(O)CC(N)C(=O)O       polar   negative        −3.5    nonessential    2.85    1.99    9.90
Cysteine        Cys     C       C3H7NO2S        C([C@@H](C(=O)O)N)S     nonpolar        neutral 2.5     nonessential    5.05    1.92    10.70
Glutamicacid    Glu     E       C5H9NO4 C(CC(=O)O)C(C(=O)O)N    polar   negative        −3.5    nonessential    3.15    2.10    9.47
Glutamine       Gln     Q       C5H10N2O3       O=C(N)CCC(N)C(=O)O      polar   neutral −3.5    nonessential    5.65    2.17    9.13
Glycine Gly     G       C2H5NO2 C(C(=O)O)N      nonpolar        neutral −0.4    nonessential    6.06    2.35    9.78
Histidine       His     H       C6H9N3O2        O=C(O)[C@@H](N)Cc1cncn1 polar   neutral(90%)−3.2        essential       7.60    1.80    9.33
Isoleucine      Ile     I       C6H13NO2        CC[C@H](C)[C@@H](C(=O)O)N       nonpolar        neutral 4.5     essential       6.05    2.32    9.76
Leucine Leu     L       C6H13NO2        CC(C)C[C@@H](C(=O)O)N   nonpolar        neutral 3.8     essential       6.01    2.33    9.74
Lysine  Lys     K       C6H14N2O2       C(CCN)CC(C(=O)O)N       polar   positive        −3.9    essential       9.60    2.16    9.06
Methionine      Met     M       C5H11NO2S       CSCCC(C(=O)O)N  nonpolar        neutral 1.9     essential       5.74    2.13    9.28
Phenylalanine   Phe     F       C9H11NO2        c1ccc(cc1)C[C@@H](C(=O)O)N      nonpolar        neutral 2.8     essential       5.49    2.20    9.31
Proline Pro     P       C5H9NO2 C1CC(NC1)C(=O)O nonpolar        neutral −1.6    nonessential    6.30    1.95    10.64
Serine  Ser     S       C3H7NO3 C([C@@H](C(=O)O)N)O     polar   neutral −0.8    nonessential    5.68    2.19    9.21
Threonine       Thr     T       C4H9NO3 C[C@H]([C@@H](C(=O)O)N)O        polar   neutral −0.7    essential       2.09    2.09    9.10
Tryptophan      Trp     W       C11H12N2O2      c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N    nonpolar        neutral −0.9    essential       5.89    2.46    9.41
Tyrosine        Tyr     Y       C9H11NO3        N[C@@H](Cc1ccc(O)cc1)C(O)=O     polar   neutral −1.3    nonessential    5.64    2.20    9.21
Valine  Val     V       C5H11NO2        CC(C)[C@@H](C(=O)O)N    nonpolar        neutral 4.2     essential       6.00    2.39    9.74

Of course also attached!

Please keep in mind that these files may be adjusted at any time, so take care to update them by your own! There is no guarantee for correctness!

Download: RAW: aminoacids (Please take a look at the man-page. Browse bugs and feature requests.)

Martin Scharm

stuff. just for the records.

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