Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSGFETLNLHPQLKKAIDALGFTQMTPIQQKVLKYTLAGHDAIGRAQTGTGKTAAFLISVINDLLNNPVQEQRFRGEPRALILAPTRELALQIESDAKSLTKFSNLHLVTLLGGVDFDKQKKQLDANFVDIMVATPGRLIDFVEQKEVWLDQIEFLVIDEADRLLDMGFIPSVKRIVRYSPRKEQRQTLMFSATFSYDVLNLARQWLFEPVTVEIEPEQKTNNDVEQRVYVVAKQDKYRLLQDILREEPIDKVMIFANRRDQVRRLYDHLKKDGYKVGMLSGEIAQDKRLKMLEQFKQGKHNIMIATDVAGRGIHVEGVSHVVNFTLPEQSDDYVHRIGRTGRAGAQGVSISFLSEDDAFYLPEIEKAIGKKLPLTRLDGYC 1S2M Chain:A ((46-400)) --NTFEDFYLKRELLMGIFEAGFEKPSPIQEEAIPVAITGRDILARAKNGTGKTAAFVIPTLEKVKPK-------LNKIQALIMVPTRELALQTSQVVRTLGKHCGISCMVTTGGTNLRDDILRL-NETVHILVGTPGRVLDLASRKVADLSDCSLFIMDEADKMLSRDFKTIIEQILSFLP--PTHQSLLFSATFPLTVKEFMVKHLHKPYEINLMEE-LTLKGITQYYAFVEERQKLHCLNTLFSKLQINQAIIFCNSTNRVELLAKKITDLGYSCYYSHARMKQQERNKVFHEFRQGKVRTLVCSDLLTRGIDIQAVNVVINFDFPKTAETYLHRIGRSGRFGHLGLAINLINWNDRFNLYKIEQ---------------

General information: TITO was launched using: RESULT: Template: 1S2M.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 : 1907 -256635 -134.57 -722.91 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -134.57 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.596

(partial model without unconserved sides chains): PDB file : Tito_1S2M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1S2M-query.scw PDB file : Tito_Scwrl_1S2M.pdb: