Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPGTPMTVIPTIDIVDALA---AEYAAKSPREILELALSQQ-GEIAISFS-GAEDVVLIDMASRLGKPFRVFSLDTGRLHPETYQFFETVRKHYNINIEICFPDAEAVQSMVNEKGLFSFFKDGHQECCGIRKVQPLRKKLATLDG--WITGQRKDQSPGTRTEIPVVQADAGFSGPGKQLIKYNPLANWSSADVWSYIRMMEIPYNPLHERGFVSIGCEPCTRPVLPNQHEREGRWWWEEATQKECGLHAGNLKK 1SUR Chain:A ((8-212)) -----LNELPKVDRILALAETNAELEKLDAEGRVAWALDNLPGEYVLSSSFGIQAAVSLHLVNQIRPDIPVILTDTGYLFPETYRFIDELTDKLKLNLKVYRATESAAWQEARYGKLWEQGVEGIEKYNDINKVEPMNRALKELNAQTWFAGLRREQS-GSRANLPVLAIQRG-------VFKVLPIIDWDNRTIYQYLQKHGLKYHPLWDEGYLSVG--------------------------------------

General information: TITO was launched using: RESULT: Template: 1SUR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 867 34826 40.17 175.89 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 40.17 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_1SUR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SUR-query.scw PDB file : Tito_Scwrl_1SUR.pdb: