Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNTPTQLEPNVPVTRSHSMGFVILISCAAGLGGLLYGYDTAVISGAIGFLKDLY--------SLSPFMEGLVISSIMIGGVVGVGISGFLSDRFGRRKILMTAALLFAISAIVSA------------------LSQDVSTLIIARIIGGLGIGMGSSLSVTYITEAAPPAIRGSLSSLYQLFTILGISATYFINLAVQRSGTYEWGVHTGWRWMLAYGMVPSVIFFLVLLVVPESPRWLAKAGKTNEALKILTRINGETVAKEELKNIENSLKI-EQMGSLSQLFKPGLRKALVIGILLALFNQVIGMNAITYYGPEIFKMMGFGQNAGFVTTCIVGVVEVIFTVIAVLLIDKVGRKKLMSIGSAFMAIFMILIGTSFYFELTSGIMMIVLILGFVAAFCVSVGPITWIMISEIFPNHLRARAAGIATIFLWGANWAIGQFVPMM----IDSFGLAYTFWIFAVINILCFLFVVTICPETKNKSLEEIEKLWIK 4JA3 Chain:B ((7-471)) -------------------SSYIFSITLVATLGGLLFGYDTAVISGTVESLNTVFVAPQNLSESAANSLLGFCVASALIGCIIGGALGGYCSNRFGRRDSLKIAAVLFFISGVGSAWPELGFTSINPDNTVPVYLAGYVPEFVIYRIIGGIGVGLASMLSPMYIAELAPAHIRGKLVSFNQFAIIFGQLLVYCVNYFIARSGDASWLNTDGWRYMFASECIPALLFLMLLYTVPESPRWLMSRGKQEQAEGILRKIMGNTLATQAVQEIKHSLDHGR-----------GV---IVIGVMLSIFQQFVGINVVLYYAPEV------STDIALLQTIIVGVINLTFTVLAIMTVDKFGRKPLQIIGALGMAIGMFSLGTAFYTQ-APGIVALLSMLFYVAAFAMSWGPVCWVLLSEIFPNAI---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 : 2093 -289690 -138.41 -710.02 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -138.41 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.401

(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: