This page makes the sets of protein structures available for download
that were used in a recent assessment of physical scoring functions based
on CASP4 predictions (M. Feig, C. L. Brooks:
Evaluating CASP4 Predictions with Physical Energy Functions,
Proteins (2002), 49, 232-245).
For each CASP4 target the data sets are organized with numbered
subdirectories below data that contain the following PDB files for
each structure in the set:
|casp.pdb||original CASP4 submission|
|casp-complete.pdb||completed all-atom structure|
|casp-complete-min.pdb||minimized with restraints for 100 steps|
|min22cdie.pdb||minimized in vacuum for 300 steps|
|min22rdie4.pdb||minimized with dist. dep.dielectric for 300 steps|
|casp-rebuilt.pdb||rebuilt all-atom structure (through lattice)|
|casp-rebuilt-min.pdb||minimized with restraints for 100 steps|
|rebuilt-min22cdie.pdb||minimized in vacuum for 300 steps|
|rebuilt-min22rdie4.pdb||minimized with dist. dep.dielectric for 300 steps|
Please note, that only residues that are common to all predictions and where coordinates are
available in the native structure were used so that all structures for a given target
have the same length and the energy scores can be compared to the native structure.
In addition, for each target there is a file casp4.results that contains the original
CASP file names as well as the GDT_TS and SOV scores from the CASP4 website for the structures included in the test sets.
More information on the data sets available in the publication mentioned above.
The data can be downloaded from following the links below either as a single file or
separately for each target. Each data file is a tar archive, compressed with gzip.