This page contains the atomic structure decoys of 56 non-homologous small proteins. The backbone structures are generated by the I-TASSER ab initio modeling; the side-chain and other atoms are added using Pulchra. Please refer to the following paper for detail: Wu S, Skolnick J, Zhang Y: Ab initio modeling of small proteins by iterative TASSER simulations. BMC Biology 2007, 5(17). (download PDF file)

Explanations:

• ID---------------PDB ID of the target proteins.
• Native-----------Experimental structure from the PDB library.
• Length-----------Size of the target proteins.
• Closc------------The first selected model by SPICKER, which is closest to the SPICKER cluster centroid.
• Decoys_all-------The full-set of structure decoys used in the I-TASSER clustering, which contains 12,500-32,000 decoys for each target.
• Decoys_sample5---A reduced set of structure decoys, which are generated from Decoys_all by taking one in every 5 decoys along the Monte Carlo simulation time. It contains 2,500-6,400 decoys for each target.
• Decoys_sample10--A reduced set of structure decoys, which are generated from Decoys_all by taking one in every 10 decoys along the Monte Carlo simulation time. It contains 1,250-3,200 decoys for each target.