Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVTIINIGGSYYLQGILDEYIPNQM---KSTLGIISVGLVITYILQQVMSFSRDYLLTVLSQRLSIDVILSYIRHIFELPMSFFATRRTGEIISRFTDANSIIDALASTILSLFLDVSILILVG-GVLLAQNPNL--FLLSLLS-IPIYMFIIFSFMKPFEKMNHDVMQSNSMVSSAIIEDINGIETIKSLTSEENRYQNIDSEFVDY---LEKSFKLSKYSILQTSLKQGTKLVLNILILWFGAQLVMSSKISIGQLITFNTLFSYFTTPMENIINLQTKLQSAKVANNRLNEVYLVESEFQVQENPV-HSHFLMGDIEFDDLSYKYGFGRDT--LTDINLTIKQGDKVSLVGVSGSGKTTLAKMIVNFFKPYKGHISINHQDIKNIDKKVLRRHINYLPQQAYIFNGSILENLTLGGN--HMISQEDILKAYELAEIRQDIERMPMGYQTQLSD-GAGLSGGQKQRIALARALLTKSPVLILDEATSGLDVLTEKKVIDNLISLTD-KTILFVAHRLSIAERTNRVIVLDQGKIIEVGSHQELM-QAQGFYHHLFNK 4AYX Chain:A ((30-574)) MSSVISMSAPFFLGKIIDVIYTNPTVDYSDNLTRLCLGLSAVFLCGAAANAIRVYLMQTSGQRIVNRLRTSLFSSILRQEVAFFDKTRTGELINRLSSDTALLGRSVTENLSDGLRAGAQASVGISMMFFVSPNLATFVLSVVPPVSIIAVIYGRYLRKLTKVTQDSLAQATQLAE---ERIGNVRTVRAFGKEMTEIEKYASK-VDHVMQLARKEAFARAGFFGATGLSGNLIVLSVL--YKGGLLMGSAHMTVGELSSFLMYAFWVGISIGGLSSFYSELMKGLGAGGRLWELLEREPKLPFNEGVILNEKSFQGALEFKNVHFAYPARPEVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRLMDGRTVLVIAHRLSTIKNANMVAVLDQGKITEYGKHEELLSKPNG--------

General information: TITO was launched using: RESULT: Template: 4AYX.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 : 1954 -22205 -11.36 -42.13 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -11.36 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.403

(partial model without unconserved sides chains): PDB file : Tito_4AYX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AYX-query.scw PDB file : Tito_Scwrl_4AYX.pdb: