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I-TASSER protein structure decoys
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 12,500-20,000 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 2,500-4,000 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 1,250-2,000 decoys for each target.
References:
Wu S, Skolnick J, Zhang Y: Ab initio modeling of small proteins by iterative TASSER simulations. BMC Biology 2007, 5(17).
(download PDF file)
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