This archive contains the free energy of mutation of amino acids.

Download whole mutagenesis data by clicking the link below
Download total data in Nabedatabase
Download alanine mutagenesis data by clicking the link below
Download Alanine mutations in Nabedatabase

Example data:

#PDB,Chain,Partner(DNA/RNA),Mutant,Temp,Kd,deldelG,Pubmed ID
10MH,A,DNA,N39A,310,5.00e-11,-0.426,15702925
10MH,A,DNA,R106A,310,4.30e-10,0.895,15702925
10MH,A,DNA,M168A,310,4.00e-10,0.851,15702925
10MH,A,DNA,N173A,310,7.40e-10,1.228,15702925
10MH,A,DNA,Q301A,310,8.00e-09,2.689,15702925
10MH,A,DNA,V306A,310,1.00e-09,1.413,15702925
...

Column descriptions:

• PDB: the PDB ID of the protein-nucleic acid complex
• Chain: PDB chain ID
• Partner(DNA/RNA): the DNA/RNA partner of the protein in the complex
• Mutant: the residue ID and amino acid mutation information
• Temp: the experiment tempreature
• Kd: the Kd value from the experiment
• deldelG: the ΔΔG value which is the changes of binding free energy of the protein-DNA or protein-RNA complex caused by single point mutations.

These archive contains two non-redundant energetic benchmark datasets for protein-DNA and protein-RNA binding, respectively. The complexes were obtained from the Nabe database. To remove the redundancy, proteins with sequence similarity > 40% were excluded by using CD-HIT. The interface residues were calculated based on the buried solvent accessible surface area upon complex formation (ΔASA > 1Å) and relative solvent accessible surface area (RASA > 5%) by using Naccess.

Download protein-DNA benchmark by clicking the link below
PDNA160
Download protein-RNA benchmark by clicking the link below
PRNA90