Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIRQVTETIAMIEEQNFDIRTITMGISLLDCIDPNINRAAEKIYQKITTKAANLVAVGDEIAAELGIPIVNKRVSVTPISLIGAATDATDYVVLAKALDKAAKEIGVDFIGGFSALVQKGYQKGDEILINSIPRALAETDKVCSSVNIGSTKSGINMTAVADMGRIIKETANLSDMGVAKLVVFANAVEDNPFMAGAFHGVGEADVIINVGVSGPGVVKRALEKVRGQSFDVVAETVKKTAFKITRIGQLVGQMASERLGVEFGIVDLSLAPTPAVGDSVARVLEEMGLETVGTHGTTAALALLNDQVKKGGVMACNQVGGLSGAFIPVSEDEGMIAAVQNGSLNLEKLEAMTAICSVGLDMIAIPEDTPAETIAAMI--ADEAAIGVINMKTT-AVRIIPKGREGDMIEFGGLLGTAPVMKVNGASSVDFISRGGQIPAPIHSFKN--------------- 5AYN Chain:A ((7-426)) LRIETQLLLGRLLTRSGDQAWDFVVPFALLVIFPGK-------------LQVAAFYYLIVKIGTFLLTPSSGKWIDTHP---------RIQVVKWGVWLQFFAILAGMVFFGMLDGLVRAGGR--ESWLLSVLFIALALSGVMAS---LGSQITDISVGN--DLAPSLVAPEKLTHFNSWLRRIDLATEVGAPILAGALFPL-----------AGLFLIGLWNLVSFVPEYFLLRNVIQRSGLKIKVLTEAINLRGSFSDPIFWLILSYALLWLSVLSPHGVLLAAYLKDEM---RLPETEIGLFRGLGAVFGLISTVSFPYLVRRL-------GLISSSR------WHLGFQGVTLGIAVTAFAMGSTASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSLSSLTTTSATLILFSAGSL--LPQTEDFKYLVYVSLAAVLLANVVFIKWSSR

General information: TITO was launched using: RESULT: Template: 5AYN.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 : 1748 -173118 -99.04 -447.33 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -99.04 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.170

(partial model without unconserved sides chains): PDB file : Tito_5AYN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYN-query.scw PDB file : Tito_Scwrl_5AYN.pdb: