Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTENHLMIERQGKLGVITLDRVTHLNALSLDMIEGIGAQLELWRNDAAVQAILIKSNSPKAFCAGGDIRYLYD-SYKNG-TADYKGYFSAEYKMLNTLREYEKPIIVVLDGYVLGGGFGLAQACHIVVSSEKSRFAMPETAIGFFPDVGATHFLSRLDDIGVYMA----ITGEQISSSDALYLDLIDYHVPSEQLQALQDALVEAPSLSKEGIEHIITRFITRPAESELKQLAEGIRKHFGFQHLDEIEQSLENEQDESLKTWASKMLSILQQRSFIAKQTSLKLQHLGRGLSLQQCMQLERDLQDIWFEHGDFIEGVRALIVDKDKQPRWQERNPELEQILEKLS 3H81 Chain:B ((23-219)) --TYETILVERDQRVGIITLNRPQALNALNSQVMNEVTSAATELDDDPDIGAIII-TGSAKAFAAGADIKEMADLTFADAFTAD----FFATWGKLAAVR---TPTIAAVAGYALGGGCELAMMCDVLIAADTAKFGQPEIKLGVLPGMGGSQRLTRA--IGKAKAMDLILTGRTMDAAEAERSGLVSRVVPADDL--LTEARATATTISQ----------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3H81.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 : 1039 -68261 -65.70 -357.38 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -65.70 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_3H81.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3H81-query.scw PDB file : Tito_Scwrl_3H81.pdb: