Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIHLSILDQAPVSKGESPVTTLQHSVELAQLSEQWGYKRYWFAEHHSTKGLASTAPEIMIARIAAQTNTIRVGSGGVLLPQYSPFKVAETFRQLEALYPNRIDLGVG-------------RSPG--GTTKTRLALTDGVKKSLTEFNRQLQDVSYF----LTDSLPP-----DHPYAGIKAAPLIGTAPELWVLGLGEN--SARRAAHQGIGYVFGHFINPERGENAFRIYRESFRPSAHFSNPS-ALFTIFVICAKTDEEAEELALSQDL------WLLRVGKGLDSRVPSIEEAKAHPYTASDKKLIEENRKRMVIGSPTTVKQQ---LLDLTGCYETNEIMVLCNVFDFEAKKESYERLAELFL 5AEC Chain:A ((16-346)) --------------GRSARQTFDWGIKSAVQADSVGIDSMMISEHASQIWENIPNPELLIAAAALQTKNIKFAPMAHLLPHQHPAKLATMIGWLSQILEGRYFLGIGAGAYPQASYMHGIRNAGQS--EETK-NLNDMVRESLFIMEKIWKREPFFHEGKYWDAGYPEELEEQHKLADF--SPWGGKAPEIAVTGFSYNSPSMRLAGERNFKPV-SIFSGLDALKRHWEVYSEAAIEAGHTPDRSRHAVSHTVFCADTDKEAKRLVMEGPIGYCFERYLIPIWRRFGMMDGYAKDAGIDPVDADLEFLVD---NVFLVGSPDTVTEKINALFEATGGWGTLQV------------------------

General information: TITO was launched using: RESULT: Template: 5AEC.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 : 1250 -104515 -83.61 -368.01 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -83.61 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.423

(partial model without unconserved sides chains): PDB file : Tito_5AEC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AEC-query.scw PDB file : Tito_Scwrl_5AEC.pdb: