Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGFFDKIKRAFTGEEKTEEVEVQEKYDKGLEKTRKTFGERMNELFANFRTVDEDFFEELEETLIGADVGFETAIRITEALRQEVKLRNAKKSAEVQNAIIEKLVDLYEAEGINEVNELNIQEDGLTVILFVGVNGVGKTTSIGKLAHQFKNEGKKVLMAAADTFRAGAIDQLVVWGERAGVEVVRGNAGGDPAAVVFDALERAKTEQADVLLVDTAGRLQNKVNLMNELEKIKRVIQRELPEAPQETLLVLDATTGQNAMVQAKQFKETTDVTGLVLTKLDGTAKGGIVLAIRNELHLPVKLVGLGEGIDDLEPFDPNDFVVGLFKGLLKEE 3ZN8 Chain:D ((5-294)) -------------------------------KTKENLGSGFISLFR-GKKIDDDLFEELEEQLLIADVGVETTRKIITNLTEGASRKQLRDAEALYGLLKEEMGEILAKVD----EPLNVEGKAPFVILMVGVNGVGKTTTIGKLARQFEQQGKSVMLAAGDTFRAAAVEQLQVWGQRNNIPVIAQHTGADSASVIFDAIQAAKARNIDVLIADTAGRLQNKSHLMEELKKIVRVMKKLDVEAPHEVMLTIDASTGQNAVSQAKLFHEAVGLTGITLTKLDGTAKGGVIFSVADQFGIPIRYIGVGERIEDLRPFKADDFIEALFA------

General information: TITO was launched using: RESULT: Template: 3ZN8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1552 -191567 -123.43 -660.57 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain D : 0.84 3D Compatibility (PKB) : -123.43 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.591

(partial model without unconserved sides chains): PDB file : Tito_3ZN8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZN8-query.scw PDB file : Tito_Scwrl_3ZN8.pdb: