Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGFFDKIKRAFTGEEKTEEVEVQEKYDKGLEKTRKTFGERMNELFANFRTVDEDFFEELEETLIGADVGFETAIRITEALRQEVKLRNAKKSAEV---QNAIIEKLVDLYEAEGINEVNELNIQEDGL---------TVILFVGVNGVGKTTSIGKLAHQFKNEGKKVLMAAADTFRAGAIDQLVVWGERAGVEVVRGNAGGDPAAVVFDALERAKTEQADVLLVDTAGRLQNKVNLMNELEKIKRVIQRELPEAPQETLLVLDATTGQNAMVQAKQFKETTDVTGLVLTKLDGTAKGGIVLAIRNELHLPVKLVGLGEGIDDLEPFDPNDFVVGLFKGLLKEE 3DMD Chain:B ((56-323)) -------------------------------------------------------LDELEIDLLEADVALE----VVDALREKIKQKLVGKKVRIGTDKGKIIEEAVK----EAVSEILETSRRIDLIEEIRKAEKPYVIMFVGFNGSGKTTTIAKLANWLKNHGFSVVIAASDTFRAGAIEQLEEHAKRIGVKVIKHSYGADPAAVAYDAIQHAKARGIDVVLIDTAGRSETNRNLMDEMKKIARVTK------PNLVIFVGDALAGNAIVEQARQFNEAVKIDGIILTKLDADARGGAALSISYVIDAPILFVGVGQGYDDLRPFEKEWFLERIF-------

General information: TITO was launched using: RESULT: Template: 3DMD.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 : 1273 9186 7.22 35.88 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : 7.22 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_3DMD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DMD-query.scw PDB file : Tito_Scwrl_3DMD.pdb: