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.pdboriginal CASP4 submission
casp-complete.pdbcompleted all-atom structure
casp-complete-min.pdbminimized with restraints for 100 steps
min22cdie.pdbminimized in vacuum for 300 steps
min22rdie4.pdbminimized with dist. dep.dielectric for 300 steps
casp-rebuilt.pdbrebuilt all-atom structure (through lattice)
casp-rebuilt-min.pdbminimized with restraints for 100 steps
rebuilt-min22cdie.pdbminimized in vacuum for 300 steps
rebuilt-min22rdie4.pdbminimized 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.

complete set (1.1 GB)

T0086 T0087 T0089
T0090 T0091 T0092 T0094 T0095 T0096 T0097 T0098 T0099
T0100 T0101 T0102 T0103 T0104 T0105 T0106 T0107 T0108 T0109
T0110 T0111 T0112 T0113 T0114 T0115 T0117 T0118
T0120 T0121 T0122 T0123 T0124 T0125 T0126 T0127 T0128