Table 2 Score terms.
From: Improved packing of protein side chains with parallel ant colonies
Score term | Label | Description |
|---|---|---|
fa_atr | A | lennard-jones attractive |
fa_rep | B | lennard-jones repulsive |
fa_sol | C | lazaridis-jarplus solvation energy |
fa_intra_rep | D | lennard-jones repulsive between atoms in the same residue |
fa_pair | E | pairwise electrostatics term derived from statistics on the pdb database |
fa_dun | F | internal energy of sidechain rotamers as derived from Dunbrack's statistics |
hbond_lr_bb | G | long range (beta or loop) backbone-backbone hydrogen bonds |
hbond_sr_bb | H | short range (helix) backbone-backbone hbonds |
hbond_bb_sc | I | sidechain-backbone hydrogen bond energy |
hbond_sc | J | sidechain-sidechain hydrogen bond energy |
dslf_ss_dst | K | distance score in current disulfide |
dslf_cs_ang | L | csangles score in current disulfide |
dslf_ss_dih | M | dihedral score in current disulfide |
dslf_ca_dih | N | Cα dihedral score in current disulfide |
pro_close | O | proline ring closure energy |
envsmooth | P | Statistically derived fullatom environment potential |
atom_pair_constraint | Q | Harmonic constraints between atoms involved in Watson-Crick base pairs specified by the user in the params file |