Table 2 Top 10 refined models of the MEPVC along with the initial input structure.
Model RMSD MolProbity Clash score Poor rotamers Rama favored GALAXY energy
Initial 0.000 3.312 95.9 3.8 93.6 20995.70
MODEL 1 1.734 1.134 1.2 0.0 95.7 -3784.31
MODEL 2 1.920 1.444 2.4 0.0 93.6 -3750.72
MODEL 3 1.766 0.997 0.6 0.0 95.7 -3743.81
MODEL 4 1.667 0.997 0.6 0.0 95.7 -3739.43
MODEL 5 2.611 1.187 0.9 1.3 95.2 -3731.44
MODEL 6 1.782 1.187 0.9 1.3 95.2 -3724.93
MODEL 7 2.907 1.144 1.5 0.0 96.3 -3722.41
MODEL 8 1.999 1.459 3.0 0.6 94.7 -3718.59
MODEL 9 3.194 1.192 1.8 0.0 96.3 -3715.99
MODEL 10 2.235 1.310 2.7 0.6 96.3 -3713.14