Figure 1
From: Generative artificial intelligence performs rudimentary structural biology modeling

Modeling the 3D structures of the 20 standard amino acids with GPT-4. (a) Procedure for structure modeling and analysis. (b) Exemplary 3D structures of each of the 20 amino acids modeled by GPT-4. (c) Cα stereochemistry of modeled amino acids including L and D configurations as well as nonconforming planar; n = 5 per amino acid excluding achiral glycine and one GPT-4 iteration of cysteine (see Methods). (d,e) Backbone bond lengths and angles of amino acids modeled by GPT-4 (blue) relative to experimentally determined reference values (red); n = 5 per amino acid, excluding one iteration of cysteine (see Methods). Corresponding values of amino acids modeled by GPT-3.5 are shown adjacent (grey); n = 5 per amino acid. Data shown as means ± SD. (f) Sidechain accuracy of modeled amino acid structures in terms of bond lengths (within 0.1 Å) and bond angles (within 10°) relative to experimentally determined reference values; n = 5 per amino acid. See Methods for experimentally determined references. (g,h) Distributions of sidechain bond length and angle variation relative to experimentally determined reference values for each amino acid generated by GPT-4, excluding glycine. Bars represent the mean bond length or angle variation for each of the five iterations per amino acid. One of the methionine iterations was excluded (see Methods).