ADL: Analysing AutoDock Results, H bonds

ALEJANDRO HERES GOZALBES alejandergo at iata.csic.es
Mon Sep 21 00:45:08 PDT 2020


Greetings, I have performed a Molecular Docking test with AutoDock.
I don't know how to interpret certain letters of the encoding, for example,
I understand that
2q1l:D:ALA599:HN : pravastatin: : 0:O,O
means that in the D chain, the ALA599 residue from the receptor is the one
involved in the formation of the H bond with the 0:O,O group from pravastatin,
but I do not know what "HN" means nor 0: O,O on the pravastatin side.
Likewise, does the fact that the data is arranged in two columns mean that
donors go to one side and acceptors to the other?
If so, which side corresponds to a donor / acceptor species?
Thanks in advance




More information about the autodock mailing list