Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRIAINGFGRIGRNVLRAWFESPKQFHFEIVAINDIADVNTLVHLFKYDSTHGRFNGKVDITIENEKIYLNIQSNQRLLKVEVLQQKQPELLPWASLKIDVVLECTGLFRSHADATRHLEAGAKRVIIGAAPFDHVDAAIVYGVNHADVKATD-QIISSVSCTTQALVPLVKIIDDAFGIETALMTEIHAVTADQSVLDHAHRDLRRARASGQNIIPTTSSALGALKRVMPKMENRIDGYSIRVPTINVAAIDLTFIAQSPITVHHINELLIKASQTDYAEIMAVTDEPLVSSDFNHSPYSLIVDSTQTMVV-GHQAKVFAWYDNEWGYANRLLDLCDSF 3B1J Chain:B ((4-331)) --RVAINGFGRIGRNFLRCWF-GRQNTDLEVVAINNTSDARTAAHLLEYDSVLGRFNA--DISYDENSITVNGKT------MKIVCDRNPLNLPWKEWDIDLVIESTGVFVTAEGASKHIQAGAKKVLITAPGKGEGVGTYVIGVNDSEYRHEDFAVISNASCTTNCLAPVAKVLHDNFGIIKGTMTTTHSYTLDQRILDASHRDLRRARAAAVNIVPTTTGAAKAVALVIPELKGKLNGIALRVPTPNVSVVDLVVQVEKPTITEQVNEVLQKASQTTMKGIIKYSDLPLVSSDFRGTDESSIVDSSLTLVMDGDLVKVIAWYDNEWGYSQRVVDLAE--

General information: TITO was launched using: RESULT: Template: 3B1J.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 : 1940 -136969 -70.60 -420.15 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : -70.60 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_3B1J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B1J-query.scw PDB file : Tito_Scwrl_3B1J.pdb: