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Realigned AF structures

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posted on 2022-11-28, 21:03 authored by Anikó MentesAnikó Mentes

The Schrödinger Maestro "structalign" command was used to carry out the alignments:

1. step: align all WT variants to 6M0J , this will result *WT-Xray-aligned.

2. step: align all single base mutants to its *WT-Xray-aligned structure


* Wuhan, Alpha, Beta, Eta, Delta, OmicronBA1, OmicronBA2


 These are the Xray aligned basic variant file names:rot-Alpha_RBD.pdb  rot-Beta_RBD.pdb  rot-Delta_RBD.pdb  rot-Eta_RBD.pdb  rot-Omicron_BA1_RBD.pdb  rot-OmicronBA2_RBD.pdb  rot-Wuhan_RBD.pdb 

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