pharmai / plip

Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
http://plip.biotec.tu-dresden.de
GNU General Public License v2.0
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Plip shows same Hydrogen Bond twice (Donor and Acceptor switched) #123

Open PhiCMS opened 2 years ago

PhiCMS commented 2 years ago

PDB: 5REH UID: 5REH:AWP:A:404 // Error 404 :´D

Using the web service in full default mode I found that for the given PDB one H-Bond is "wrongly" detected. Its basically appearing twice towards residue 166A but with Donor and Acceptor switched. Donor angles differ (expected), D-A distance is same, and H-A distance differs.