Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KLCKWT---------VLNSEGEIIDSGSCLNTEYMKHGDIHVEFENDCTPIIFGADRVAEKVTIKG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4KYI Chain:A ((4-544)) GSEISKTEAGQYSVSAPEHKGLVLSGGGAKGISYLGMIQALQERGKIKNLTHVSGASAGAMTASILAVGMDIKDIKKLIEGLDITKLLDNSGVGFRARGDRFRNILDVIYMMQMKKHLESVQQPIPPEQQMNYGILKQKIALYEDKLSRAGIVINNVDDIINLTKSVKDLEKLDKALNSIPTELKGAKGEQLENPRLTLGDLGRLRELLPEENKHLIKNLSVVVTNQTKHELERYSEDTTPQQSIAQVVQWSGAHPVLFVPGRNAKGEYIADGGILDNM----------------PEIEGLDR-EEVLCVKAEAGTAFEDRVNKAKQSAMEAISWFKARMDSLVTSSVLNREKVYYNIDNMIYINTGEVTTTNTSPTPEQRARAVKNGYDQTMQLLDSHKQTFDHPLMAILYIGHDKLKDALIDEKSEKEIFEASAHAQAILHLQEQIVKEMNDGDYSSVQNYLDQIEDILTVDAKMDDIQKEKAFALCIKQVNFLSEGKLETYLNKVEAEAKAAAEPSWATKILNLLWAPIEWVVSLFKGPAQDFK

General information: TITO was launched using: RESULT: Template: 4KYI.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 : 39 1803 46.23 45.08 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 46.23 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.168

(partial model without unconserved sides chains): PDB file : Tito_4KYI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4kyi-query.scw PDB file : Tito_Scwrl_4KYI.pdb: