Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIDSWLNERLDRMKEAGVHRNLRSMDGAPVPERNIDGENQTVWSSNNYLGLASDRRLIDAAQTALQQFGTGSSGSRLTTGNSVWHEKLEKKIASFKLTEAALLFSSGYLANVGVLSSLPEKEDVILSDQLNHASMIDGCRLSKADTVVYRHIDMNDLENKLNETQRYQRRFIVTDGVFSMDGTIAPLDQIISLAKRYHAFVVVDDAHATGVLGDSGQGTSEYFGV--CPDIVI-GTLSKAVGAEGGFAAGSAVFIDFLLNHARTFIFQTAIPPASCAAAHEAFNIIEASREKRQLLFSYISMIRTSLKNMGYVVKGDHTPIIPVVIGDAHKTVLFAEKLQGKGIYAPAIRPPTVAPGESRIRITITSDHSMGDIDHLLQTFHSIGKELHII 3WY7 Chain:A ((37-355)) ----------------------------------ELD------LASNDYLGLSQHPDVLDGGVEALRTWGGGAGGSRLVTGNTELHEAFEHQLASFLGAESALVFSSGYTANLGALVALSGPGSLIVSDALSHASLVDACRLSRARVVVSPH-RDVDAVDAALAARTEERAVVVTESVFSADGDLAPLRDLHAVCRRHGALLLVDEAHGLGVRGTRGQGLLHEVGLAGAPDIVMTTTLSKALGSQGGAVLGPEAVRAHLIDTARSFIFDTGLAPAAVGAASAALRVLDAEPQRARAVLDRAA----ELATIAGVTEAPVSAVVSVILGDPEIAVGAAAACLDRGVRVGCFRPPTVPAGTSRLRL----------------------------

General information: TITO was launched using: RESULT: Template: 3WY7.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 : 1846 -121653 -65.90 -384.98 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -65.90 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_3WY7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WY7-query.scw PDB file : Tito_Scwrl_3WY7.pdb: