Table 3: Initial conformations of calmodulin 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 1cfd 1cll 2f3y
ID lRMSD (Å) TM-score GDT_TS (%) lRMSD (Å) TM-score GDT_TS (%) lRMSD (Å) TM-score GDT_TS (%)

1cfd 6.70 0.57 56 6.48 0.60 50 8.20 0.44 38
1cll 5.84 0.50 43 2.38 0.84 78 6.24 0.53 54
2f3y 6.7 0.47 40 2.50 0.82 74 2.87 0.77 73