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. 2019 Nov 6;20(22):5538. doi: 10.3390/ijms20225538

Table 1.

The RMSDa results (in angstrom) of five different protein–protein docking approaches to reproduce the known IRE1 dimer complexes.

Face-to-Face Dimer
(PDB Code: 3P23)
Back-to-Back Dimer
(PDB Code: 4YZC)
SwarmDock 1.39 3.56
ZDOCK 12.48 3.32
HsymDock 3.12 13.25
PatchDock 24.33 29.49
ClusPro 3.58 31.01

a Root mean square deviation (RMSD) was calculated for Cα atoms by superimposing the top-scored docked pose generated by the program with the crystallographic structures.