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SAAMBE-MEM: A Sequence-Based Method for Predicting Binding Free Energy Change upon Mutation in Membrane Protein-Protein Complexes

Professor Emil Alexov Group

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We have provided a sample .fasta protein sequence file (2OCJ.fasta) and also a sample mutation-list-file (NOTE: Lines starting with Pound sign '#' are just for user's information, delete them from your mutation-list-file before submitting it to the SAAMBE-MEM). A user can use these input files to excercise the example. The process of running an example is details below.

  • The Single Mutation (1) option allows the user to submit one single mutation for prediction.
    • Users are required to provide a wild-type sequence by pasting (3) a sequence in fasta format or uploading (5) a file in fasta format.
    • Details on the single mutation should be provided: (7) residue position, (8) wild type amino acid and (9) mutant amino acid (using the one letter amino acid code). The residue position must be consistent with the sequence file.
  • The Mutation List (2) option allows the user to submit a list of single mutations to be analyzed in batch.
    • Similar to the Single Mutation option, a wild-type sequence is required and can be input by pasting (4) a sequence in fasta format or uploading (6) a file in fasta format.
    • The list of single-point mutations must be input (10) by uploading a file containing the mutation information (wild-type residue code, position and mutant residue code). The file format requires one mutation per line (split by space). A sample file is also provided.

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After submitting the job, please wait about 30 minutes to get the result. The result for the example is shown in figure below.

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