ResQ is a method for estimating B-factor and residue-level quality
in protein structure prediction, based on local variations of modelling simulations
and the uncertainty of homologous alignments.
Given a protein structure model, ResQ first identifies a set of homologous and/or analogous
templates from the PDB by threading and structure alignment techniques. The residue-level
modeling errors are then derived by support vector regression that was trained
on the local structural and alignment variations of the templates,
with the B-factor of each residue deduced from the experimental records of
the top homologous proteins.
Users are encouraged to upload the structural decoys associated with the structure model,
which can help ResQ to increase the accuracy of location quality estimation by calculating
the local structural variations between the model and the reference decoys.
For a given target structure, the output of ResQ includes
(see an illustrative example):
- Estimation of residue-specific error
- Prediction of B-factor for each residue
- Estimation of the global accuracy (i.e., TM-score and RMSD)
The source code of ResQ can be downloaded at
the download page.
- Jianyi Yang, Yan Wang and Yang Zhang.
ResQ: An approach to unified estimation of B-factor and residue-specific
error in protein structure prediction,
Journal of Molecular Biology, 428: 693-701 (2016).