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. 2022 Sep 1;126(36):6820–6834. doi: 10.1021/acs.jpcb.2c04188

Table 2. FATCAT25 Structural Alignment Statistics for Proteins of Formerly Unknown Function in JCVI-syn3A Cell Growth, Maintenance, and Divisiona.

gene exp. struct. PDB ID p-value RMSD, Å (% aligned)
ezrA/0239 4UXV65 3.01 × 10–10 4.64 (84%)
gpsB/0353 4UG358 2.72 × 10–6 1.10 (100%)
secD/0412 5XAM102 9.20 × 10–4 6.10 (41%)
secF/0412 5MG3103 6.49 × 10–5 3.05 (53%)
yloU/0421 B. subtilis (AF2)104 1.11 × 10–11 2.29 (99%)
ylxM/0430 1S7O82 3.21 × 10–10 1.99 (99%)
yqgP-gplG/0516 B. subtilis (AF2)87 and 2NR989 7.19 × 10–9 3.07 (82%)
yqkD/0520 B. subtilis (AF2)68 0.00 × 10–0 3.00 (96%)
ylbN/0527 B. subtilis (AF2)76 3.03 × 10–7 2.45 (84%)
lemA-gacS/0604 2ETD61 6.78 × 10–5 1.67 (68%)
atpI/0797 B. subtilis (AF2)98 and 6FKI101 1.81 × 10–11 1.22 (92%)
gabP/0878 B. subtilis (AF2105) 4.47 × 10–11 3.23 (87%)
yidC/0908 M. pneumoniae (AF2106) 0.00 × 10–0 2.33 (92%)
a

Alignment values generated from experimentally solved crystal structures or with AlphaFold2 (AF2) structures where this abbreviation is indicated, aligned with predicted AlphaFold2 structures for JCVI-syn3A genes. A p-value of less than 5.0 × 10–2 demonstrates significant structural similarity. A value of 0.00 indicates a p-value of less than 1.0 × 10–20. The percent aligned relates to the percentage of residues in the protein of shorter length that are well-aligned to the larger structure by FATCAT, with the associated RMSD. Equations generating these statistical values are given in the Formulas section.