Files: S4191.txt: Results for using S4191 as training and test set. M1707.txt: Results for using M1707 as training and test set. Test sets.xlsx: Four test sets for comparing MutaBind2 with four other methods. Terms in the files: PDB id: The PDB entry of the complex. Partner1: Protein chains constituting one of the interaction partner. Partner2: Protein chains constituting the other one of the interaction partner. Mutated Chain: Protein chain with mutation. Mutation(s)_PDB(S4191.txt): The mutation(s) corresponding to the residue numbering found in the protein databank. The first character is one letter amino acid code for the wild-type residue, the second to penultimate characters indicate residue number, and the final character indicates the mutant amino acid. Mutation(s)_PDB(M1707.txt): The mutation(s) corresponding to the residue numbering found in the protein databank. The first character is one letter amino acid code for the wild-type residue, the second character is the mutated chain, the third to penultimate characters indicate residue number, and the final character indicates the mutant amino acid. Mutation(s)_cleaned: The mutation(s) corresponding to the residue numbering in the 'cleaned' pdb files from Skempi v2.0, in the same format as for column Mutation(s)_PDB of the corresponding file. DDGexp: Experimental changes of binding affinity upon mutations (in kcal/mol). Label: 'forward' indicates the forward mutations from the wild type to mutant in the dataset of S3310 or M1337; 'reverse' indicates the reverse mutations in the dataset of S3310.R or M1337.R. MutaBind2(S4191.txt,M1707.txt): Out-of-bag predicted changes of binding affinity upon mutations by MutaBind2 (in kcal/mol). MutaBind2(Test sets.xlsx): Predicted changes of binding affinity upon mutations by MutaBind2 (in kcal/mol). During the comparison on S487, MutaBind2 were retrained after removing S487 from S4191. The rest of columns show the contribution of each feature for every mutation!!! The features are described below: DDE_vdw is the change of van der Waals interaction energy upon a single or multiple mutation(s). DDG_solv is the difference of polar solvation energy changes upon binding between wild type and mutant. DDG_fold is the change of stability of protein complex upon mutation. SA_part_wt and SA_com_wt are solvent accessible surface areas of the mutated residues in the unbound partner and complex structure respectively. For multiple mutations this term is calculated as a sum for all mutated sites. CS indicates the change of evolutionary conservation of a mutated site upon introducing mutations. For multiple mutations this term is calculated by summing up CS for all mutations. N_cont_wt is the number of contact residues between one partner where a mutation was introduced and another partner. If any heavy atom of a residue in one partner is located within 10 Å from any heavy atom of the other partner, we defined this residue as a contact residue. dE_vdw_wt is the difference between van der Waals energies of a complex and each interacting partner for the wild-type structure.