Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIFRKLGWFFRQEKKHYLIGVFSLFAVALVQLVPPKVIGIIIDEIA-------DKNLSVKIIFGWIFLLIIAAFLQYLFRYIWRTNIWGSAARLEKELRQQLFKHFTEMDNLFYQKYRTGDLMAHATNDLNAIQNVAGAGIL-TFADSVITGG--TTIIAMILFIDWRLTLIALIPLPLLAVTSRVLGSKLHDAFRDSQEAFSSINDKTQESITGIKVIKTFGQEKEDLADFEEKIEDAIIKNKRVNFLDSLFDPFITLIIGLSYVATIILGGKYVLEGTISIGQMVSFISYIGMLVWPMFAIGRL---FNVLERGNASYDRVNELLHEKTHIVEQLGAV--QTPAKGELNVAISSFNYP-KEESPALEQIKFAIQEGETLGIVGKTGAGKTTIIKLLMREYDDYQGKIQFGGRSIKEYSLNALLGSIGYVPQDHFLFSMTIRDNIRFS--NPK-LSEEEVEHAASLAFINNEIKELPKGYDTLVGERGVSLSGGQKQRISIARALIKNPELLILDDALSAVDAKTEEAILHNLKEIRKEKTTIISAHRLSSVMHAKQIIVVDQGKIIERGTHHELLALGGWYEQMWEKQQLEAKIEGGEA 4AYT Chain:A ((8-567)) ----RKLLGLAYPERRRLAAAVGFLTMSSVISMSAPFFLGKIIDVIYTNPTVDYSDNLT-RLCLGLSAVFLCGAAANAIRVYLMQT----SGQRIVNRLRTSLFSSILRQEVAFFDKTRTGELI----NRLSSDTALLGRSVTENLSDGLRAGAQASVGISMMFFVSPNLATFVLSVVPPVSIIAVIYGRYLRKLTKVTQDSLAQATQLAEERIGNVRTVRAFGKEMTEIEKYASKVDHVMQLARKEAFARAGFFGATGLSGNLIVLSVLYKGGLLMGSAHMTVGELSSFLMYA---FWVGISIGGLSSFYSELMKGLGAGGRLWELLEREPKLPFNEGVILNEKSFQGALEFKNVHFAYPARPEVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRLMDGRTVLVIAHRLSTIKNANMVAVLDQGKITEYGKHEE--------------------------

General information: TITO was launched using: RESULT: Template: 4AYT.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 : 2070 -18969 -9.16 -35.06 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -9.16 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_4AYT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AYT-query.scw PDB file : Tito_Scwrl_4AYT.pdb: