Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------MSQTLIAALQNP------ALYPHP---VERFEVIETH----ISWVLLTGPYAYKIKKPMDFGFLDFTSLDKRRFYCNEELRLNQRLTDDLYLEVLPITGSEEAPRIGGDGEAIEYLL----KMRQFPQDNLLAAIQGRG-----------ELSNQHIDELAEQIAHFHQNT---PKVPLEHPLGTAESCMAPVRQNFEQVRPLLKD-KADLQQLDALEAWAESSFERLLPVLQERKAK-G---FIRECHGDIHLGNAALIDGRVVLFDCIEFNEPFRFTDVCADFAFLAMDLEDRGLKCHARRFVSLYLEHTGDYQALELLN----FYKAYRAMVRAKVALFSLGYQTDAVQRAATLRQYRNYANLAESYSAIPSRFLAVTHGVSAVGKSQVAMRLVEAL------GAVRLRSDIERKRLFGEQPEHDRGQFAAGIYSSQASEATYAHLHQLAAKILQAGYPVVIDAAYLKQNQRQAACHIAEETGVPFLILDCQAPEAVIAGW----LAQRQAEGKDPSDATLDVIRTQQATREPLTAAETVQSKRVDTHDAASLDGLVDGIRQRL--PGL---- 1I2D Chain:A ((2-573)) ANAPHGGVLKDLLARDAPRQAELAAEAESLPAVTLTERQLCDLELIMNGGFSPLEGFMNQADYDRVCEDNRLADGNVFSMPITLDASQEVIDEKKLQAGSRITLRDFR-----DDRNLAILTID--DIYRPDKTKEAKLVFGGDPE-HPAIVYLNNTVKEFYIGGKIEAVNKLNHYDYVALRYTPAELRVHFDKLGWSRVVAFQTRNPMHRAHRELTVRAARSRQANVLIHPVVGLTKP-GD-----IDHFTRVRAYQALLPRYPNGMAVLGLLGLAMRMGGPREAIWHAIIRKNHGATHFIV---GRDHAGPGSNSKGE-------DFYGPYDAQHAVEKYK------DELGIEVVEFQMVT-YLPDTDEYRPVDQVPAGVKTLNISGTELRRRLRSGAHIPEWF--SYPEVVKILRESNP-----PRATQGFTIFLTGYMNSGKDAIARALQVTLNQQGGRSVSLLLGDTVRHELSSELG-----------FTREDRHTNIQRIAFVATELTRAGAAVIAAPIAPYEESRKFARDAVSQAG-SFFLVHVATPLEHCEQSDKRGIYAAARRGEIKGFTGVD------DPYETPEKAD----LVVDFSK-QSVRSIVHEIILVLESQGFLERQ

General information: TITO was launched using: RESULT: Template: 1I2D.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 : 2332 92807 39.80 202.19 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 39.80 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.280

(partial model without unconserved sides chains): PDB file : Tito_1I2D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1i2d-query.scw PDB file : Tito_Scwrl_1I2D.pdb: