Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTKKKEAVIGKESLAHKGLLRTITLVSTFGGLLFGYDTGVINGALPFMATA--GQLNLTPVTE----GLVASSLLLGAAFGAMFGGRLSDRHGRRKTILYLALLFIAATLGCTF--------SPNASV----------MIAFRFLLGLAVGCASVTVPTFLAEISPAERRGRIVTQNELMIVIGQLLAYTFNAII---GSTMGESANVWRYMLVIATLPAVVLWFGMLIVPESPRWLAAKGRMGDALRVLRQIREDSQAQQEIKEIKHAIEGTAKKAGFHDFQEPWIRRILFIGIGI-------AIVQQITGVNSIMYYGTEILREAGFQTEAALIGNIANGVISVIAVIFGIWLLGKVRRRPMLIIGQIGTMTALLLIGILSIVLEGTPALPYVVLSLTILF-LAFQQTAISTVTWLMLSEIFPMHVRGLGMGISTFCLWTANFLIGFTFPI-----LLNHIGMSATFFIFVAMNILAILFVKKYVPETKGRSLEQLEHSFRQYGRRADQEIQNQTTHLS 4JA3 Chain:B ((12-471)) ----------------------SITLVATLGGLLFGYDTAVISGTVESLNTVFVAPQNLSESAANSLLGFCVASALIGCIIGGALGGYCSNRFGRRDSLKIAAVLFFISGVGSAWPELGFTSINPDNTVPVYLAGYVPEFVIYRIIGGIGVGLASMLSPMYIAELAPAHIRGKLVSFNQFAIIFGQLLVYCVNYFIARSGDASWLNTDGWRYMFASECIPALLFLMLLYTVPESPRWLMSRGKQEQAEGILRKIMGNTLATQAVQEIKHSLDHGR---------------------GVIVIGVMLSIFQQFVGINVVLYYAPEV------STDIALLQTIIVGVINLTFTVLAIMTVDKFGRKPLQIIGALG-----MAIGMFSLGTAFYTQAPGIVALLSMLFYVAAFAMSWGPVCWVLLSEIFPNAI---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 : 2039 -291881 -143.15 -740.81 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -143.15 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.382

(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: