The present application belongs to the technical field of
computational biology, and particularly relates to a
protein surface multi-level modular representation method and an
interaction interface prediction method. First, a
protein manifold
triangle mesh containing multi-
modal physical and chemical characteristics is constructed. Then, based on the geodesic distance and local
density field, the continuous surface is discretized into geometrically compact virtual residues using a restricted
region growing algorithm. Next, an improved soft
subspace clustering is used to mine atom patterns with specific functions, and a graph-guided manifold
autoencoder is introduced to map them into high-dimensional embedding vectors. On this basis, a compatibility network is constructed by fusing statistical, semantic and physicochemical characteristics, frequent sub-patterns are mined, and the surface is resolved into a structured sub-
pattern sequence. Finally, a graph neural
network model is constructed for PPI prediction, and the prediction area is resolved into core modules and variable modules. The present application uses a unique four-level hierarchical structure and manifold geometry calculation to solve the problems of weak geometric
perception and lack of
interpretability in the prior art.