Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGFFDKIKRAFTGEEKTEEVEVQEKYDKGLEKTRKTFGERMNELFANFRTVDEDFFEELEETLIGADVGFETAIRITEALRQEVKLRNAKKSAEVQNAIIEKLVDLYEAEGINEVNELNIQEDGLTVILFVGVNGVGKTTSIGKLAHQFKNEGKKVLMAAADTFRAGAIDQLVVWGERAGVEVVRGNAGGDPAAVVFDALERAKTEQADVLLVDTAGRLQNKVNLMNELEKIKRVIQRELPEAPQETLLVLDATTGQNAMVQAKQFKETTDVTGLVLTKLDGTAKGGIVLAIRNELHLPVKLVGLGEGIDDLEPFDPNDFVVGLFKGLLKEE 2J7P Chain:E ((22-281)) ------------------------------------------------------------------DVGLSA----TEEILQEVRASGRK---DLKEAVKEKLVGMLEP---------PV-EPKGRVVLVVGVNGVGKTTTIAKLGRYYQNLGKKVMFCAGDTFRAAGGTQLSEWGKRLSIPVIQGPEGTDPAALAYDAVQAMKARGYDLLFVDTAGRLHTKHNLMEELKKVKRAIAKADPEEPKEVWLVLDAVTGQNGLEQAKKFHEAVGLTGVIVTKLDGTAKGGVLIPIVRTLKVPIKFVGVGEGPDDLQPFDPEAFVEALL-------

General information: TITO was launched using: RESULT: Template: 2J7P.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1332 -149091 -111.93 -616.08 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain E : 0.81 3D Compatibility (PKB) : -111.93 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.625

(partial model without unconserved sides chains): PDB file : Tito_2J7P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2J7P-query.scw PDB file : Tito_Scwrl_2J7P.pdb: