Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKWDLPIWLTRRKEMSEKLVEIKDLEISFGEGSKKFVAVKNANFFINKGETFSLVGESGSGKTTIGRAIIGLNDTSNGDIIFDGQKINGKKSREQAAELIRRIQMIFQDPAASLNERATVDYIISEGLYNHRLFKDEEERKEKVQSIIREVGLLAEHLTRYPHEFSGGQRQRIGIARALVMQPDFVIADEPISALDVSVRAQVLNLLKKFQKELGLTYLFIAHDLSVVRFISDRIAVIYKGVIVEVAETEELFNNPIHPYTQALLSA---VPIPDPILERKKVLKVYDPSQHDYETDKPSMVEIRPGHYVWANQAELARYQKGLN 3TUZ Chain:G ((24-279)) -------------------MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELT-TLSESELTKARRQIGMIFQH--FNLLSSRTVFGNVALPLELDNTPKDEVKRR--VTELLSLVGLGDKH-DSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHLDIPEDYQER---------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TUZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 1299 -189434 -145.83 -748.75 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain G : 0.76 3D Compatibility (PKB) : -145.83 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_3TUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TUZ-query.scw PDB file : Tito_Scwrl_3TUZ.pdb: