Description
The CAPRI-Q Docking Assessment Tool evaluates up to 10 models (per submitted job) against a target native structure and output various docking scores in a table format.
Specifying Receptors and Ligands
If the sumbitted target structure has more than 2 chains, then the unbound portions of the structure need to be specified. The unbound portions refer to the chains which make up the target and receptor. For example if a target structure has 3 chains A,B, and C, and A and B make up the receptor and C makes up the ligand, then unbound portion 1 would be A,B, and unbound portion 2 would be C.
Results Table
identification : name of submitted model
nclash : number of clashes
fnat : fraction of native contacts in predicted complex vs target complex
fnonnat : fraction of non-native contacts in predicted complex vs target complex
tm-score : the tm-score of the model against the target structure
lrmsd : RMSD of the ligand (the smaller chain)
irmsdbb : RMSD of the backbone of the interface residues
irmsdsc : RMSD of the sidechains of the interface residues
distance : the ligand center of mass from the predicted
classification : CAPRI classification