Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MECDVKPVRLAILGLGTVGGGALKLLQENAAEIKRRTGREIQITHV----GTRRPRPDL-ELEGIKQSADLL--------------DIVRQPDVDVVVEVMGGIHPAYEIIMEAIKHGKQVVTANKALLAKHGNELFKAAEDNAVQIAYEAAVAGGIPIIKVIREGLAANHIEWLAGIINGTGNFILTEMREKGRAFDDVLKEAQELGYAEADPTFDVEGIDAAHKLTILASCAFGIPLQFDKVYTEGISKITAQDVKYAEELGFR----IKHLGIARRAEKGIELRVHP-TLIPDEQLIANVNGVKNAVLVQANAVGPTLYYGAGAGAGPTASAVVADVIDIVRDISYTEDGAGTIPQLAFEALTNMPILSREEMTTGYYIRLNAEDQTGVLADVTTILSRAGISIDAIMQQSRLKDLIPIVILTDPIVESKMDDALAQIQALPAIRGEIVRIRLESLDS 4XB1 Chain:A ((19-325)) -------VNISIFGFGTVG----RALAEIIAEKSRIFGVELNVISITDRSGTIWGDFDLLEAKEVKESTGKLSNIGDYEVYNFSPQELVEEVKPNILVDV-SSWDEAHEMYKVALGEGISVVTSNKPPIANYYDELMNLAKENNAGIFFESTVMAGTPIIGVLRENLLGENIKRIDAVVNASTTFILTKMSE-GKTLDDAIEEAKSLGILEEDPSKDIDGIDAYYKAKILHWVSYGEPPEEE------------------ERLGIREVRDARNVRLVAQVSKG-KISVKPRKLSSDNPLL--VEGVQNAAVIRTNNLGEVILKGPGGGGRVTASGVFTDII------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XB1.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 : 1465 27279 18.62 96.39 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 18.62 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.494

(partial model without unconserved sides chains): PDB file : Tito_4XB1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XB1-query.scw PDB file : Tito_Scwrl_4XB1.pdb: