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. 2023 Mar 25;23:82. doi: 10.1186/s12866-023-02817-w

Table 3.

Predicted cellular ligand of LsAMP1 and NAD1

Cofactor DockThor
Model Predicted ligand PDB hit BS-score* Identity Coverage Binding energy (-Kcal/mol) Hydrogen bonds
LsAMP-1 PIP2 4cqkA 1.10 0.21 0.82 7,950 Lys39, Asn3

*BS-score is a measure provided of local similarity between template and predicted binding site in the defensin