Dataset for: Consensus Meta-Docking and Experimental Evaluation of the ClfA–Annexin A2 Interface

This dataset supports the manuscript entitled “Consensus Modeling of the ClfA–Annexin A2 Protein Interface” / “Structural modeling and residue-level validation of the Clumping factor A–Annexin A2 complex using consensus meta-docking and molecular dynamics.” The dataset contains the representative ClfA–AnxA2 structural model, ECR ranking data from ensemble docking and complex-prediction approaches, MM/GBSA per-residue energy decomposition results, GetContacts contact-frequency and hydrogen-bond occupancy tables, and MST raw and fitted binding data for wild-type and mutant ClfA–AnxA2 interactions.

These files support the selection of the representative protein complex model, residue-level interface analysis, and experimental evaluation of prioritized interface residues.