Three-dimensional cartoon and surface representations of the evolution of 300 ns of simulation. Configurations generated by molecular dynamics of the most stable complexes from molecular docking between α-amylase (PDB ID 5VA9) and the peptides (a) DTVHDTDGQVLP, (b) ILPAQQGK, (c) TVSQTPIDIPIGLPVR, (d) TIAPACAPKPAR and (e) DEQSSEK. Letters: D—Aspartic acid, E—Glutamic acid, R—Arginine, K—Lysine, N—Asparagine, H—Histidine, Q—Glutamine, S—Serine, T—Threonine, A—Alanine, G—Glycine, V—Valine, P—Proline, L—Leucine, I—Isoleucine, W—Tryptophan, C—Cysteine. The peptides are derived from the cleavage of TTIp 56/287: model number 56 and conformation number 287 of trypsin inhibitor purified from tamarind seeds.

<p>Three-dimensional cartoon and surface representations of the evolution of 300 ns of simulation. Configurations generated by molecular dynamics of the most stable complexes from molecular docking between α-amylase (PDB ID 5VA9) and the peptides (a) DTVHDTDGQVLP, (b) ILPAQQGK, (c) TVSQTPIDIPI...

Full description