Table 2 Benchmark comparing Glycosylator and doGlycans. The average minimum distance between sequons was computed between the closest pairs of asparagine Cα atoms. The number of issues accounts for errors in glycan connectivity and nomenclature due to steric clashes. The potential energy was calculated after 5000 steps of conjugate gradient energy minimization
From: Glycosylator: a Python framework for the rapid modeling of glycans
Virus | Â | Influenza A | HIV-1 | Delta-coronavirus |
PDB id |  | 1 ha0 | 5fyl (gp120) | 6bfu |
Number of sequons | Â | 6 | 20 | 21 |
Average minimum distance between sequons | [Å] | 21.60 ± 8.88 | 10.47 ± 4.74 | 14.71 ± 4.11 |
Glycosylator | Number of issues | 0 | 0 | 0 |
Potential energy [kcal/mol] | − 9856.12 | 2524.05 | − 5526.44 | |
DoGlycans | Number of issues | 0 | 4 | 6 |
Potential energy [kcal/mol] | − 9678.14 | 6055.20 | − 1954.89 |