Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTVLILNFPAEGHVNPTLGITKAFSDKGYDVHYISTEKYKKRLEAAGATVHLHR-DLLRTTPIHV-GSPNGILDFVKIHIKTSLDILQIVKDLSKSIQFDFVYYDKFG--AGELVRDYLDIPGVSSSASFLFGEEHLKILPLHPESGA--PLELDQECEDLLAKMKETYGVAPKNLVQFMNNKGELNVVYTSRYFQPESDRFGDECLFIGPSFPKRAEKTDFPIEQLKDEKVIYISMGTVLDHTEDFFNLCIDAFSGFNGKVVIAAGEKADLTKLKQAPENFIIAPYVPQLEVLEQSDVFITHGGMNSVNEGIHFSVPLVVMPHDKDQPMVAQRLSELHAGYVISKDEVNAQILKQAVDEVLRNDQYTAGIKKINQSFKECMDMEEVMERIDELIRQKNK 3IAA Chain:A ((23-371)) ---LLIVNVASHGLILPTLTVVTELVRRGHRVSYVTAGGFAEPVRAAGATVVPYQSEIIDADAAEVFGSDDLGVRPHLMYLRENVSVLRATAEALDGDVPDLVLYDDFPFIAGQLLAARWRRPAVRLSAAFASNEHYSFSQDMVTLAGTIDPLDL-PVFRDTLRDLLAEHGLS-RSVVDCWNHVEQLNLVFVPKAFQIAGDTFDDRFVFVGPCFDDRRFLGEW-TRPADDLPVVLVSLGTTFNDRPGFFRDCARAFDGQPWHVVMTLGGQVDPAALGDLPPNVEAHRWVPHVKVLEQATVCVTHGGMGTLMEALYWGRPLVVVPQSFDVQPMARRVDQLGLGAVLPGEKADGDTL----------------------------------------------

General information: TITO was launched using: RESULT: Template: 3IAA.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 : 1910 -236706 -123.93 -690.10 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -123.93 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_3IAA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IAA-query.scw PDB file : Tito_Scwrl_3IAA.pdb: