Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MECDVKPVRLAILGLGTVGGGALKLLQENAAEIKRRTGREIQITHVGTRRP--RPDLELEGIKQSADLL-----------------DIVRQPDVDVVVEVMGGIHPAYEIIMEAIKHGKQVVTANKALLAKHGNELFKAAEDNAVQIAYEAAVAGGIPIIKVIREGLAANHIEWLAGIINGTGNFILTEMREKGRAFDDVLKEAQELGYAEADPTFDVEGIDAAHKLTILASCAFGIPLQFDKVYTEGISKITAQDVKYAEELGFR----IKHLGIARRAEKGIELRVHP-TLIPDEQLIANVNGVKNAVLVQANAVGPTLYYGAGAGAGPTASAVVADVIDIVRDISYTEDGAGTIPQLAFEALTNMPILSREEMTTGYYIRLNAEDQTGVLADVTTILSRAGISIDAIMQQSRLKDLIPIVILTDPIVESKMDDALAQIQALPAIRGEIVRIRLESLDS 4XB2 Chain:A ((19-325)) -------VNISIFGFGTVG----RALAEIIAEKSRIFGVELNVISITDRSGTIWGDFDLLEAKEVAESTGKLSNIGDYEVYNFSPQELVEEVKPNILVDV-SSWDEAHEMYKVALGEGISVVTSNKPPIANYYDELMNLAKENNAGIFFESTVMAGTPIIGVLRENLLGENIKRIDAVVNASTTFILTKMSE-GKTLDDAIEEAKSLGILEEDPSKDIDGIDAYYKAKILHWVSYGEPPEEE------------------ERLGIREVRDARNVRLVAQVSKG-KISVKPRKLSSDNPLL--VEGVQNAAVIRTNNLGEVILKGPGGGGRVTASGVFTDII------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XB2.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 : 1475 28695 19.45 101.39 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 19.45 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.494

(partial model without unconserved sides chains): PDB file : Tito_4XB2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XB2-query.scw PDB file : Tito_Scwrl_4XB2.pdb: