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FASPR is a method for structural modeling of protein side-chain conformations. Starting from a backbone structure, FASPR samples the side-chain rotamers for each amino acid from the Dunbrack 2010 rotamer library with the atomic interaction energies calculated using an optimized scoring function extended from EvoEF2, where side-chain packing search is performed using a deterministic searching algorithm combining self-energy checking, dead-end elimination theorems, and tree decomposition. The large-scale benchmark tests showed that FASPR outperforms the current state-of-the-art protein side-chain packers on both native and non-native backbones with higher accuracy in terms of both side-chain dihedral angle (Χ_1-4) recovery rate and RMSD with a much faster computational speed.

Please direct questions and inquiries to our Service System Discussion Board or contact Dr. Xiaoqiang Huang.

FASPR Online Server (View an example of output)

Input protein main-chain coordinates in PDB format (mandatory)
(1) there should be no missing N, CA, C and O atoms in the main chain
(2) the side-chain atoms can be included when you upload the structure, but they are ignored during repacking
Please copy and paste your structure file below (Sample input)


Or upload your protein main-chain coordinate file:




Specify the sequence that you want to repack on the backbone in text format (optional)
(1) the sequence should be written in one line and its length shoud be identical to the number of residues in the PDB
(2) the sequence extracted from the input PDB coordinates will be used if no new sequence is provided
Please type or paste your sequence below (Sample input)





Your email address: (optional, result and notification will be sent to if provided)

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Download FASPR and Benchmark Datasets

• FASPR program and source code
• FASPR training data set
• FASPR test data sets

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Reference:

• Xiaoqiang Huang, Robin Pearce, Yang Zhang. FASPR: an open-source tool for fast and accurate protein side-chain packing. Bioinformatics (2020) 36: 3758-3765. [PDF] [SI]