Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLPKYAQVKEEISSWINQGKILPDQKIPTENELMQQFGVSRHTIRKAIGDLVSQGLLYSVQGGGTFVASRSAKSALHSNKTIGVLTTYISDYIFPSIIRGIESYLSEQGYSMLLTSTNNNPDNERRGLENLLSQHIDGLIVEPTKSALQTPNIGYYLNLEKNGIPFAMINASYAELAAPSFTLDDVKGGMMAAEHLLSLGHTHMMGIFKADDTQGVKRMNGFIQAHRERELFPSP-DMIV--TFTT-EEKESKLLEKVKATLEKNS--KHMPTAILCYNDEIALKVIDMLREMDLKVPEDMSIVGYDDSHFAQISEVKLTSVKHPKSVLGKAAAKYVIDCLEHKK-PKQEDVIFEPELIIRQSARKLNE 3H5O Chain:A ((63-333)) -------------------------------------------------------------------------------RTVLVLIPSLANTVFLETLTGIETVLDAAGYQMLIGNSHYDAGQELQLLRAYLQHRPDGVLITGLSHAE-----PFERILSQHALPVVYMMDLA-DDGRCCVGFSQEDAGAAITRHLLSRGKRRIGFLGAQLDERVMKRLDGYRAALDAADCRDAGLEWLDPQPSSMQMG-----ADMLD----RALAERPDCDALFCCNDDLAIGALARSQQLGIAVPERLAIAGFNDLQPAAWCTPPLTTVATPRRDIGVHAAKALLQLIDGEEPAS-RRADLGFRLMLRRSSEG---

General information: TITO was launched using: RESULT: Template: 3H5O.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 : 1492 -81393 -54.55 -308.30 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -54.55 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_3H5O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3H5O-query.scw PDB file : Tito_Scwrl_3H5O.pdb: