Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMFNEAAVPFIQTARDNGLLFGGSNVPAMIDYTSEHRKSYHVRGSVFEVAPH-FEVLNGIGYGAYGVVCAAVDLRLVASSVYYNEAMRIIEEGGRIVTRQRRGHDAPVYFRTRAVLDEAGRGGPVRVPHLYSEPFKRRVLACGGVSPFVAIKKVTKVFDDLVDGRRILREIKLLRYLQGHPNIVRLMEVGRPHVPTGASSSAAFDDIYLVTDLMDTDLAALLKSSQEIEMDQFRFIAYQLMKVLVYVHSSGVIHRDLKPGNILLNGNCDMKLCDFGLSRGGVPAWPHESTLTAVATAAESSAKELEDWGLFCWSSSAVRGASSAPHAAKQPPLYSLTDYVVTRYYRAPELLIM-GRYNHAIDMWSAGCILAEMLLRRPLFTGANYLSQLALILETPGLRGVPQTPEQVAALFEGGEEGKHFINDILFRKTARGRDSLTLSNQVHSQVLFHSTLFGFNVDIPISLGILIAKLLSFDPRKRPTAVEALRDPFFRPLYDSRDEILRCPASDPSVEREEIDDIAAYQKAHPCVVVDESPVFTWEFDHRITSAQALRSLFEEECQISRDVQQQIERQQRPR 5CI6 Chain:B ((20-369)) -----------------------------------RFIQYNIFGNIFEVTAKYKPPIMPIGKGAYGIVCSAMNSE------------------------------------------------------------------TN---ESVAIKKIANAFDNKIDAKRTLREIKLLRHMD-HENIVAIRDIIPPPLR------NAFNDVYIAYELMDTDLHQIIRSNQALSEEHCQYFLYQILRGLKYIHSANVLHRDLKPSNLLLNANCDLKICDFGLARVT-----------------------------------------------------------VTRWYRAPELLLNSSDYTAAIDVWSVGCIFMELMDRKPLFPGRDHVHQLRLLMELIGT---PS----LEF---LNENAKRYIRQLPPYPR-------------Q--S-IT-DKFP---TVHPLAIDLIEKMLTFDPRRRITVLDALAHPYLNSLHDISDEPECTIP------------------------------FNFDFENHALSEEQMKELIYREALAFNPEYQ---------

General information: TITO was launched using: RESULT: Template: 5CI6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1637 -43309 -26.46 -129.28 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -26.46 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_5CI6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CI6-query.scw PDB file : Tito_Scwrl_5CI6.pdb: