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. 2023 Jan 3;28(1):400. doi: 10.3390/molecules28010400

Table 2.

HDOCK docking results for the top-ranked poses and mean values from the top-1–3 and top-1–10 poses of L1 complexed with DNA and RNA. The interface residues within 5.0 Å from the ligand in the top-1 complexes are reported in the last column. Note how the energy scores are given by HDOCK as dimensionless, with the most negative values corresponding to the most stable predicted complexes.

HDOCK Score
Top-1 Ranked Pose
HDOCK Score
(Top-1–3 Poses) ± SD
HDOCK Score
(Top-1–10 Poses) ± SD
Interface Residues
DNA * −70.22 −69.45 ± 0.69 −66.76 ± 2.37 dA5, dA6, dT7, dT19
RNA ** −62.25 −61.57 ± 0.64 −57.69 ± 3.67 U7, G8, U9, C12, A13, C15, U16

* model DNA PDB ID: 1BNA. ** model RNA PDB ID: 1U2A.