Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNTPTQLEPNVPVTRSHSMGFVILISCAAGLGGLLYGYDTAVISGAIGFLKDLY--------SLSPFMEGLVISSIMIGGVVGVGISGFLSDRFGRRKILMTAALLFAISAIVSA------------------LSQDVSTLIIARIIGGLGIGMGSSLSVTYITEAAPPAIRGSLSSLYQLFTILGISATYFINLAVQRSGTYEWGVHTGWRWMLAYGMVPSVIFFLVLLVVPESPRWLAKAGKTNEALKILTRINGETVAKEELKNIENSLKI-EQMGSLSQLFKPGLRKALVIGILLALFNQVIGMNAITYYGPEIFKMMGFGQNAGFVTTCIVGVVEVIFTVIAVLLIDKVGRKKLMSIGSAFMAIFMILIGTSFYFELTSGIMMIVLILGFVAAFCVSVGPITWIMISEIFPNHLRARAAGIATIFLWGANWAIGQFVPMM-----IDSFGLAYTFWIFAVINILCFLFVVTICPETKNKSLEEIEKLWIK 4JA4 Chain:A ((9-478)) ---------------------YIFSITLVATLGGLLFGYDTAVISGTVESLNTVFVAPQNLSESAANSLLGFCVASALIGCIIGGALGGYCSNRFGRRDSLKIAAVLFFISGVGSAWPELGFTSINPDNTVPVYLAGYVPEFVIYRIIGGIGVGLASMLSPMYIAELAPAHIRGKLVSFNQFAIIFGQLLVYCVNYFIARSGDASWLNTDGWRYMFASECIPALLFLMLLYTVPESPRWLM----QEQAEGILRKIMGNTLATQAVQEIKHSLDHG--------MFGVGV---IVIGVMLSIFQQFVGINVVLYYAPEV-----------LLQTIIVGVINLTFTVLAIMTVDKFGRKPLQIIGALGMAIGMFSLGTAFYTQ-APGIVALLSMLFYVAAFAMSWGPVCWVLLSEIFPNAIRGKALAIAVAAQWLANYFVSWTFPMMDKNSW-----NGFSYWIYGCMGVLAALFMWKFVPETKGKTLEELEALW--

General information: TITO was launched using: RESULT: Template: 4JA4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1936 -261758 -135.21 -640.00 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -135.21 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.383

(partial model without unconserved sides chains): PDB file : Tito_4JA4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JA4-query.scw PDB file : Tito_Scwrl_4JA4.pdb: