Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKQGNQMSFLRTIILVSTFGGLLFGYDTGVLNGALPYMG----EPDQLNLNAFTE--GLVTSSLLFGAALGAVFGGRMSDFNGRRKNILFLAVIFFISTIGCTFA--------PNVTV----------MIISRFVLGIAVGGASVTVPAYLAEMSPVESRGRMVTQNELMIVSGQLLAFVFNAILGTTMGD----NSHVWRFMLVIASLPALFLFFGMIRMPESPRWLVSKGRKEDALRVLKKIRDEKRAAAELQEIEFAFKKEDQLEKATFKDLSVPWVRRIVFIGLGIAIVQQITGVNSIMYYGTEILRNSGFQTEAALIGNIANGVISVLATFVGIWLLGRVGRRPMLMTGLIGTTTALLLIGIFSLVLEGSPALPYVVLSLTVTFL--AFQQGAISPVTWLMLSEIFPLRLRGLGMGVTVFCLWMVNFAVSFTFPI-----LLAAIGLSTTFFIFVGLGICSVLFVKRFLPETKGLSLEQLEENFRAYDHSGAKKDSGAEVIG 4JA3 Chain:B ((7-471)) ------S-SYIFSITLVATLGGLLFGYDTAVISGTVESLNTVFVAPQNLSESAANSLLGFCVASALIGCIIGGALGGYCSNRFGRRDSLKIAAVLFFISGVGSAWPELGFTSINPDNTVPVYLAGYVPEFVIYRIIGGIGVGLASMLSPMYIAELAPAHIRGKLVSFNQFAIIFGQLLVYCVNYFIARS-GDASWLNTDGWRYMFASECIPALLFLMLLYTVPESPRWLMSRGKQEQAEGILRKIMGNTLATQAVQEIKHSL---DHGR-------------GVIVIGVMLSIFQQFVGINVVLYYAPEV------STDIALLQTIIVGVINLTFTVLAIMTVDKFGRKPLQIIGALG-----MAIGMFSLGTAFYTQAPGIVALLSMLFYVAAFAM-SWGPVCWVLLSEIFPNAI---ALAIAVAAQWLANYFVSWTFPMMDKNS-----HNGFSYWIYGCMGVLAALFMWKFVPETKGKTL-------------------------

General information: TITO was launched using: RESULT: Template: 4JA3.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 : 2108 -306605 -145.45 -758.92 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -145.45 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_4JA3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JA3-query.scw PDB file : Tito_Scwrl_4JA3.pdb: