Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGFFDKIKRAFTGEEKTEEVEVQEKYDKGLEKTRKTFGERMNELFANFRTVDEDFFEELEETLIGADVGFETAIRITEALRQEVKLRNAKKSAEVQNAIIEKLVDLYEAEGINEVNE-LNIQEDGLTVILFVGVNGVGKTTSIGKLAHQFKNEGKKVLMAAADTFRAGAIDQLVVWGERAGVEVVRGNAGGDPAAVVFDALERAKTEQADVLLVDTAGRLQNKVNLMNELEKIKRVIQRELPEAPQETLLVLDATTGQNAMVQAKQFKETTDVTGLVLTKLDGTAKGGIVLAIRNELHLPVKLVGLGEGIDDLEPFDPNDFVVGLFKGLLKEE 4C7O Chain:B ((5-274)) ---------------------------------------------------DDDLFEELEEQLLIADVGVETTRKIITNLTEGASRKQLRDAEALYGLLKEEM-----GEILAKVDEPLNVEGKAPFVILMVGVNGVGKTTTIGKLARQFEQQGKSVMLAAGDTFRAAAVEQLQVWGQRNNIPVIAQHTGADSASVIFDAIQAAKARNIDVLIADTAGRLQNKSHLMEELKKIVRVMKKLDVEAPHEVMLTIDASTGQNAVSQAKLFHEAVGLTGITLTKLDGTAKGGVIFSVADQFGIPIRYIGVGERIEDLRPFKADDFIEALF-------

General information: TITO was launched using: RESULT: Template: 4C7O.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1390 -25416 -18.28 -94.48 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -18.28 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.621

(partial model without unconserved sides chains): PDB file : Tito_4C7O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C7O-query.scw PDB file : Tito_Scwrl_4C7O.pdb: