Foldit is essentially a GUI (graphical user interface) for Rosetta. Rosetta is a suite of software libraries for macromolecular modeling originally developed at the University of Washington in David Baker's Lab. The Rosetta Energy (or Score) is composed of the following terms: Clashing- fa_rep - Lennard-Jones repulsive between atoms in different residues
- fa_intra_rep - Lennard-Jones repulsive between atoms in the same residue
Packing- fa_atr - Lennard-Jones attractive between atoms in different residues
HidingBonding- hbond_sr_bb - Backbone-backbone hbonds close in primary sequence
- hbond_lr_bb - Backbone-backbone hbonds distant in primary sequence
- hbond_bb_sc - Sidechain-backbone hydrogen bond energy
- hbond_sc - Sidechain-sidechain hydrogen bond energy
Backbone- omega - Omega dihedral in the backbone. A Harmonic constraint on planarity with standard deviation of ~6 deg.
- p_aa_pp - Probability of amino acid at Φ/Ψ
- rama - Ramachandran preferences
Sidechain- fa_dun - Internal energy of sidechain rotamers as derived from Dunbrack's statistics
Others- fa_elec - Coulombic electrostatic potential with a distance-dependent dielectric
- ref - Reference energy for each amino acid. Balances internal energy of amino acid terms. Plays role in design.
- pro_close - Proline ring closure energy and energy of psi angle of preceding residue
- dslf_fa13 - Disulfide geometry potential
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