Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLSEMLQETTQFILDKGVKEIDFGLILGSGLGELADEIEDAVMISYDEIPFFPVSTVVGHAGKLVYGSLAGKKVLAMQGRFHYYEGHSMQTVTYPVRVMAGLGAHSVIVTNACGGVNESFVPGDLMLITDHINFTGENPLIGPNEDAMGPRFPDMSQAYTPDYQATAKAAAEKLGLDLKEGVYMGYSGPTYETPAEIRMSRTIGADAVGMSTVPEVIVAAHSGLKVLGISCITNLAAGMQANLSHEEVVETTQRVKQSFKALVKETLTLL 3LBA Chain:A ((37-303)) ---LLKKIYETRDFLTAKGVQKPEFGLILGSGLGELAEEIENALVLNYADIPNWGRS------GKLIYGELAGRKVLALQGRFHYYEGNSMELVTFPIRIMKALGCQGLIVTNAAGGI--GFGPGTLMAISDHINLTGANPLMGENLDDFGFRFPDMSNAYTADYREVAHQVADKIGIKLDEGVYIGVSGPSYETPAEIRAFKTLGADAVGMSTVPEVIVAVHSGLKVLGISAITNYAAGFQSELN---VVAVTQQIKEDFKGLVKAILVEL

General information: TITO was launched using: RESULT: Template: 3LBA.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 : 1487 -188615 -126.84 -731.06 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -126.84 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.655

(partial model without unconserved sides chains): PDB file : Tito_3LBA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LBA-query.scw PDB file : Tito_Scwrl_3LBA.pdb: