Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSHKNFTTDRNKHSRGINIFKKGNNFKKKSKSERLMDGIGAWTSFYRANPHRFVK-EYLGITLKLFQCILIYMMVHNHYFMYLASRGQGKTWLTSVYCCVQAILFPGTKIVIASGTKGQAREVIEKIDDLRKESPNLRREIEDLKTSTNDAKVEFHNGSWIKIVAS-NDGARSKRANLLIVDEFRMVDF--EIISKVLRKFLTAPRSPKYLEKEEYAHLKERNKEIYLSSCWYKVHWSFNRFITYYNAMMKGS-K----YFVCGLPYQIAIKEGL-LDKDQVRDEMAEEDFDPIGWSMEMEALWFGESEKAYFKFEDIEKNRKLASPLFPPDYYSLIKDS-NFKYEGKKPGEIRLVSNDIAGMAGKDNDASVYTVFRLIPNSNGYDRHIVYMESIVGGHTGTQATRIRQIYEDYDCDYIVLDTQSIGLGVYDALCQPLYDKERAKEYEPFSCINDERMAARCTYQNAEKVIYSIKGNAQLNSEIAVLLKDGFKRGKIKIPINENEGKEYLKRFKGYEGLSPEVKGKFLSSYAQITLLINEMINLEAEYSDNGQVKLKEPKSKRKDRYSSVAYGNYIATVLERQLNKQTEYDVEDELVYF 3CPE Chain:A ((132-581)) -----------------------------VEEWKKCRDDIVYFAETY--CAITHIDYGVIKVQLRDYQRDMLKIMSSKRMTVCNLSRQLGKTTVVAIFLAHFVCFNKDKAVGILAHKGSMSAEVLDRTKQAIELLPDFLQ-PG--IVEWNKGSIELDNGSSIGAYASSPDAVRGNSFAMIYIEDCAFIPNFHDSWLAIQ-PVISSG---------------RRSKIIITTTPNGL-NHFYDIWTAAVEG-KSGFEPYTAIWNSVKER---LYNDEDIFDDGWQWSIQTINGSSLAQFRQEHTAAFEGT-SGTLISGMKLAVMDFIEV---T-----PDDHGFHQFKKP-EPDRKYIATLDCSEGRG--QDYHALHIIDVTD-DVW---EQVGVLHSNTISHLILPDIVMRYLVEYNECPVYIELNSTGVSVAKSLYMDL-------EYEGVICD--------------SYTDLGMKQTKRTKAVGCSTLKDLIEKDKLIIH---------------------------------HRATIQEFRTFSEK---GVSW--AAEEGYHDDLVMSLVIFGWLSTQ--------------------

General information: TITO was launched using: RESULT: Template: 3CPE.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 : 2266 -43714 -19.29 -99.58 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -19.29 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.375

(partial model without unconserved sides chains): PDB file : Tito_3CPE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CPE-query.scw PDB file : Tito_Scwrl_3CPE.pdb: