Table 4: Initial conformations of adenylate kinase are in the rows, whereas goal conformations are denoted in the columns. Three measurements, lowest lRMSD, highest TM-score, and highest GDT_TS scores to any of the goal conformations, are reported over the 10 trajectories started from each initial conformation.

PDB 1dvr 2aky 2ak3 4ake
ID TM-score GDT_TS (%) TM-score GDT_TS (%) TM-score GDT_TS (%) TM-score GDT_TS (%)

1dvr 0.99 99 0.83 74 0.41 25 0.32 20
2aky 0.84 76 1.00 100 0.44 28 0.31 18
2ak3 0.41 25 0.44 28 0.99 99 0.39 25
4ake 0.31 18 0.29 17 0.41 26 1.00 100