Method and apparatus for predicting structure of protein complex

An electronic device, comprising:

• at least one processor;
• and
• a memory, communicatively connected to the at least one processor,
• wherein the memory is configured to store instructions executable by the at least one processor, and the at least one processor is configured to:
• obtain an initial coordinate of each amino acid residue in target a protein complex, and obtain a target residue pair feature, a first multiple sequence alignment (MSA) feature and a second MSA feature of each protein monomer in the target protein complex;
• and
• input the initial coordinate of each amino acid residue, and the target residue pair feature, the first MSA feature and the second MSA feature of each protein monomer to an N-level fold iteration network layer, obtain a target coordinate of each amino acid residue by predicting a torsion angle, a position transformation at residue level and a position transformation at monomer chain level of each amino acid residue via the N-level fold iteration network layer, and obtain a predicted structure of the protein complex based on the target coordinate of each amino acid residue,
• wherein the first MSA feature is an MSA feature subjected to normalization, the second MSA feature is an MSA feature subjected to a mapping process, and N is an integer greater than 1.

A non-transitory computer-readable storage medium storing computer instructions, wherein when the computer instructions are executed by a computer, the method predicting the structure of the protein complex is realized, the method comprising:

• obtaining an initial coordinate of each amino acid residue in a target protein complex, and obtaining a target residue pair feature, a first multiple sequence alignment (MSA) feature and a second MSA feature of each protein monomer in the target protein complex;
• and
• inputting the initial coordinate of each amino acid residue, and the target residue pair feature, the first MSA feature and the second MSA feature of each protein monomer to an N-level fold iteration network layer, obtaining a target coordinate of each amino acid residue by predicting a torsion angle, a position transformation at residue level and a position transformation at monomer chain level of each amino acid residue via the N-level fold iteration network layer, and obtaining a predicted structure of the protein complex based on the target coordinate of each amino acid residue,
• wherein the first MSA feature is an MSA feature subjected to normalization, the second MSA feature is an MSA feature subjected to a mapping process, and N is an integer greater than 1.