Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQEQKWWKEAVGYQIYPASFKDSNGDGQGDINGIREKLNYLKDLGIGFIWINPIYQSPFVDNGYDVSDYQDIEERFGTMEDFDLLLKEAHELGIKVIMDLVINHSSDQHQWFEESKKSKESPYRDYYIWVDGVDGKEPNNWTSIFGGSAWEYSHETGQYYLHVFAKEQPDLNWESEKLKEELFNMIRWWLDKGIDGFRLDAISHVKKDEYSVKATENPFSPFQNVSGIEEHLTDLKHV-FEEYDIMTVGEASGVTAEEGPQWVGKDGY-FDMIFEFDHIHIWQQEKEG-------QLDVLKLKLALSAWQTSLD-GIGWNALYMENHDVPRAVSVFGDTRPDFWAMSAKAIAMMYFFLQGTPFIYQGQEIGMTNMPFESIDQVDAVDSKRLYKRLLAEGKTREEALDIIRETTRDNSRTPMQWTSEQYAGFSTHE-PWLITNPNTKTINVEQQEYEPESVLQFYKNMIRIRQTNKGLIYGSYKEYLHEHPQLYVYERYLEDEQYLIMVNLTESLADYELPKEADQSWTLLLSNSSSGEFEAKGILAPYEARLYKTNK 4WLC Chain:A ((2-534)) ---QKHWWHKATVYQIYPKSFMDTNGDGIGDLKGITSKLDYLQKLGVMAIWLSPVYDSPMDDNGYDIANYEAIADIFGNMADMDNLLTQAKMRGIKIIMDLVVNHTSDEHAWFIEAREHPDSSERDYYIWCD-----QPNDLESIFGGSAWQYDDKSDQYYLHFFSKKQPDLNWENANLRQKIYDMMNFWIDKGIGGFRMDVIDMIGKIPAQHIVSNGP--------KLHAYLKEMNAASFGQHDLLTVGQTWGATPEIAKQYSNPVNHELSMVFQFEHIGL-QHKPEAPKWDYVKELNVPALKTIFNKWQTELELGQGWNSLFWNNHDLPRVLSIWGNTGK-YREKSAKALAILLHLMRGTPYIYQGEEIGMTNYPFKDLNELDDIESLNYAKEAFTNGKSMETIMDSIRMIGRDNARTPMQWDASQNAGFSTADKTWLPVNPNYKDINVQAALKNSNSIFYTYQQLIQLRKENDWLVDADF-ELLPTADKVFAYLRKVREERYLIVVNVSDQEEVLEIDVDKQET---LISNTNESAALANHKLQPWDAFCIK---

General information: TITO was launched using: RESULT: Template: 4WLC.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 : 3042 -33062 -10.87 -63.34 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -10.87 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_4WLC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WLC-query.scw PDB file : Tito_Scwrl_4WLC.pdb: