Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKDRIERAAAFIKQNLPESPKIGLILGSGLGILADEIENPVKLKYEDIPEFPVSTVEGHAGQLVLGTLEGVSVIAMQGRFHFYEGYSMEKVTFPVRVMKALGVEALIVTNAAGGVNTEFRAGDLMIITDHINFMGTNPLIGPNEADFGARFPDMSSAYDKDLSSLAEKIAKDLNIPIQKGVYTAVTGPSYETPAEVRFLRTMGSDAVGMSTVPEVIVANHAGMRVLGISCISNAAAGILDQPLSHDEVMEVTEKVKAGFLKLVKAIVAQYE 3LBA Chain:A ((40-302)) ---KIYETRDFLTAKGVQKPEFGLILGSGLGELAEEIENALVLNYADIPNWGRS------GKLIYGELAGRKVLALQGRFHYYEGNSMELVTFPIRIMKALGCQGLIVTNAAGGIG--FGPGTLMAISDHINLTGANPLMGENLDDFGFRFPDMSNAYTADYREVAHQVADKIGIKLDEGVYIGVSGPSYETPAEIRAFKTLGADAVGMSTVPEVIVAVHSGLKVLGISAITNYAAGFQSE-LN---VVAVTQQIKEDFKGLVKAILVE--

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 : 1454 -187190 -128.74 -736.97 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -128.74 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.580

(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: