Table IV.
Average Pearson correlation coefficient between each energy term and TM-score of 5,000 decoy structures of 145 testing proteins.
Energy terms | Correlation with TM-score | |
---|---|---|
Atomic-level | Backbone distance-specific contact (Eprm) | −0.157 |
Side-chain distance-specific contact (Eprs) | −0.166 | |
Excluded volume (Eev) | −0.001 | |
Residue-level | Hydrogen bonding (Ehb) | −0.036 |
Solvation (Esa) | −0.137 | |
Backbone torsion (Edh) | −0.013 | |
Fragment-based distance profile (Edp) | −0.076 | |
Topology-level | Radius of gyration (Erg) | −0.001 |
Strand-helix-strand packing (Ebab) | N/A | |
Helix-helix packing (Ehp) | −0.039 | |
Strand-strand packing (Ebp) | −0.030 | |
Total energy (Etot) | −0.185 |