Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSASVNNLDGKLDLVDITALSAAYEPEEVLGEGTYGIVFRARNKATGAKYAIKKLRLDGFSEGVPATTIREATLLHDLNDNPNVVKLLDVVCSDHRVYLVFELLDEDLRSFIKRYRPVSGQKPTNGTAVPLHLVREFTRQILYALWTCHNNRILHRDLKPGNILVANYRSKNGETKFYVKLADFGLARMFEMSVQTYTHEVMTLWYRSPEIILGDRHYTPAADVWSVGCIVAEMILGYSLFRGENWR-DQLDKVFYVVGTPTEQTWPGVTKLPGYDRNFKVYHVAPLPTRLRDYDEKAVEFIAYLLVTNPKLRPTIPEILEHPFMKDA 4AU8 Chain:A ((4-292)) -------------------GSQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRV---------PSSALREICLLKEL-KHKNIVRLHDVLH---KLTLVFEFCDQDLKKYFDSCN----------GDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRN--------GELKLADFGLARAFGIPVR--SAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKPYPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSD-

General information: TITO was launched using: RESULT: Template: 4AU8.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 : 1438 -126930 -88.27 -463.25 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -88.27 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_4AU8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AU8-query.scw PDB file : Tito_Scwrl_4AU8.pdb: