Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGFFDKIKRAFTGEEKTEEVEVQEKYDKGLEKTRKTFGERMNELFANFRTVDEDFFEELEETLIGADVGFETAIRITEALRQEVKLRNAKKSAEVQNAIIEKLVDLYEAEGINEVNELNIQEDGLTVILFVGVNGVGKTTSIGKLAHQFK-NEGKKVLMAAADTFRAGAIDQLVVWGERAGVEVVRGNAGGDPAAVVFDALERAKTEQADVLLVDTAGRLQNKVNLMNELEKIKRVIQRELPEAPQETLLVLDATTGQNAMVQAKQFKETTDVTGLVLTKLDGTAKGGIVLAIRNELHLPVKLVGLGEGIDDLEPFDPNDFVVGLFKGLLKEE 4C7O Chain:C ((93-288)) ---------------------------------------------------------------------------------------------------------------------LNLAAQPPAVVLMAGLQGAGKTTSVGKLGKFLREKHKKKVLVVSADVYRPAAIKQLETLAEQVGVDFFPSDVGQKPVDIVNAALKEAKLKFYDVLLVDTAGRLHVDEAMMDEIKQVHASIN------PVETLFVVDAMTGQDAANTAKAFNEALPLTGVVLTKVDGDARGGAALSIRHITGKPIKFLGVGEKTEALEPFHPD--------------

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 C - contact count / total energy / energy per contact / energy per residue : 1097 -15058 -13.73 -77.22 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain C : 0.74 3D Compatibility (PKB) : -13.73 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.645

(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: