ABACUS2: Score Protein Sequence for Given Structure


To score the compatibility between an amino acid sequence and a backbone structure contained in the user-provided input PDB file. The ABACUS (A Backbone-based Amino aCid Usage Survey) sequence energy will be evaluated. The returned results will contain energy contributions of different energy components at different amino acid positions.



(NOTE: Residues lack any of the backbone atom (N, CA, C, O) will be ignored. Non standard amino acid except selenomethionine (MSE) will be ignored. Residue index should be integer.)

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If you have any problem or suggestion, please contact <hb080@mail.ustc.edu.cn>.




References:

  • Xiong P, Wang M, et al. Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability[J]. Nature communications, 2014, 5: 5330.
  • Xiong P, et al. Increasing the Efficiency and Accuracy of the ABACUS Protein Sequence Design Method[J]. Bioinformatics, 2020, 36(1): 136-144.