Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQLFKSFDA--SEKTQLICFPFAGGYSASFRPLHAFLQGECEMLAAEPPGHGTNQ-TSAIEDLEELTDLYKQELNLRPDRPFVLFGHSMGGMITFRLAQKLEREGIFPQAVIISAIQPPHIQRK----KVSH-L-P-DDQFLDH-IIQLGGMPAELVENKEVMSFFLPS--------FRSDYRALEQFE-LYDLAQIQSPVHVFNGLDDKK-CIRDAEGWKKWAKDITFHQFDGGHMFLLSQTEEVAERIFAILNQHPIIQP 2XUA Chain:A ((17-264)) -----RIDGERHGNAPWIVLSNSLGTDLSMWAPQVAALSKHFRVLRYDTRGHGHSEAPKGPYTIEQLTGDVLGLMDTLKIARANFCGLSMGGLTGVALAARHAD---RIERVALCNTAARIGSPEVWVPRAVKARTEGMHALADAVLPRWFTA-DYMEREPVVLAMIRDVFVHTDKEGYASNCEAIDAADLRPEAPGIKVPALVISGTHDLAATPAQGRELAQAIAGARYVELDASHISNIERADAFTKTVVDFLTE------

General information: TITO was launched using: RESULT: Template: 2XUA.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 : 1292 -135087 -104.56 -595.10 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -104.56 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_2XUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XUA-query.scw PDB file : Tito_Scwrl_2XUA.pdb: