Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------MLYTLGQKIGEGGCSEVFEVGDNR-----IIKLAK-ENTSFEALRREYLNNCIAWEC--GLPIPQPFELTKMSGRPGIVFEHIAGKTMMERFFNQVIVSHNNEVKQADVQLTAQLLFRVHQALAEGKELPCQKSIIKSNILSVNYLSASEKESAISLLESLETKQCLCHGDPNPRNVIVKDDGEAILLDWMNATIGNPEADIAEYIVMIRYAVLPSSFPEETRDMFDSIREDLIDIFIDEYYRLSGISYDDVVPWIIPILARKLSADAISDVEKKKLVAEIRRDLGKQKNRV 3UQC Chain:A ((20-265)) VQLVPGARIANGRYRLLIFHGGVPPLQFWQALDTALDRQVALTFVDPQGVLPDDVLQETLSRTLRLSRIDKPGVARVLDVVHTRAGGLVVAEWIRGGSLQEVA-------DTSPSPVGAIRAMQSLAAAADAAHRAG----------------------------------------VALSIDHPSRVRVSIDGDVVLAYPATMPDANPQDDIRGIGASL-YALLVNRWPLPEAGVRSGLAP------AERDTAGQPIEPADIDR-DIPFQISAVAARSVQGDGGIRSASTLLNLMQQATA--

General information: TITO was launched using: RESULT: Template: 3UQC.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 : 1302 376 0.29 1.66 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 0.29 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.274

(partial model without unconserved sides chains): PDB file : Tito_3UQC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3uqc-query.scw PDB file : Tito_Scwrl_3UQC.pdb: