Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKTVVLAEKPSVGRDLARVLKCHKKGNGYLEGDQYIVTWALGHLVTLADPEGYGKEFQSWRLEDLPIIPEPLKLVVIKKTGKQFNAVKSQLTRKDVNQIVIATDAGREGELVARWIIEKANVRKPIKRLWISSVTDKAIKEGFQKLRSGKEYE-NLYHSAVARAEADWIVGINATRALTTKFNAQLSCGRVQTPTLAMIAKREADIQAFTPVPYYGIRAAVDGMTLTWQDKKSKQTRTFNQDVTSRLLKNLQGKQAVVAELKKTAKKSFAPA-LYDLTELQRDAHKRFGFSAKETLSVLQKLYE-------QHKLVTYPRTDSRFLSSDIVPTLKDRLEGMEVKPYA-QYVSQIKKRGIKSHKGYVNDAKVSD-HHAIIPTEEPLVLSS----LSDKERKLYDLIAKRFLAVLMPAFEYEETKVIAEIGGETFTAKGKTVQSQGWKAVYDMAEEDDEQEDDRDQTLPALQKGDTLAVRTLTETSGQTKPPARFNEGTLLSAMENPSAFMQGEEKGLVKTLGETGGLGTVATRADIIEKLFNSFLIEKKGQDIFITSKGKQLLQLVPE---DLKSPALTAEWEQKLSAIAAGKLKSAVFIKDMKAYAHQTVKEIKNSSQTFRHDNITGTACPECGKMMLKVNGKRGTMLVCQDRECGSRKTIARKTNARCPNCHKRMELRGQGEGQTFACVCGHREKLSVFEKRKNKDKARATKRDVSSYMKKQNKDEPINNALAEQLKKLGLDK 2GAJ Chain:A ((7-586)) ---KYIVVESPAKAKTIKSIL-----------GNEYEVFASMGHIIDLPKSK-FGVDLE----KDF----EP-EFAVIKGKEKVVEKLKD-LAKK--GELLIASDMDREGEAIAWHIARVTNTLGRKNRIVFSEITPRVIREA---VKNPREIDMKKVRAQLARRILDRIVGYSLSPVLWRNFKSNLSAGRVQSATLKLVCDREREILRFVPKKYHRITVNFDGLT---AEIDVKEKKFFDAET----LKEIQSIDELVVEEKKVSVKKFAPPEPFKTSTLQQEAYSKLGFSVSKTMMIAQQLYEGVETKDGHIAFITYMRTDSTRVSD----YAKEEARNLITEVFGEEYVG---------------------AHEAIRPTNVFMTPEEAGKYLNSDQKKLYELIWKRFLASQMKPSQYEETRFVLRTKDGKYRFKGTVL-----KKIFDGYEKVWKTE--RNTGEFPFEEGESVKPVVVKIEEQETKPKPRYTEGSLVKEMERL-------------------GIGRPSTYASTIKLLLNRGYIKKIRGYLYPTIVGSVVMDYLEKKYSDVVSVSFTAEMEKDLDEVEQGKKTDKIVLREF----YESFSSVFDRNDRIVVDFPTNQKC-SCGKEMRLSFGKYGFYLKC---ECGKTRSV-----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2GAJ.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 : 2752 -196098 -71.26 -357.84 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -71.26 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_2GAJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GAJ-query.scw PDB file : Tito_Scwrl_2GAJ.pdb: