Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLGANQKHKNYYEGPKVIVTWALGHLLGLKMPEDLNKEWQSWQMDTLPMIPKKLGIKPLPKTGHQLKAIKQLAQRKDVSEAVIATDAGREGELVARWILEYVHFNKPVKRLWISSQTDKAIKTGFKQLRPAKEYDALYESALARAKADWLVGLNVTRALTVKYADNLSAGRVQTPTLALVRDQEKKIEQFRPQTYFTITLQAGK--EQAKMLQKNQFALKTQEEAQKLVQLISTSKGTVTEVQEKLKTESAPLPYDLTEIQREANQRYGYSAKKTLSLVQSLYETH-------KIVTYPRTDSKYLTNDMKSTMKERLQAVSDFAPEVKQYLKNGAIVQQTKVFQDSKVTDHHALLPTENR--AR--YEKLSNEERKIYQMIVSRFLGLFAQPHKVSQTKVTVEFGKERFIFRQNRV--VQAGWKGETETET--ETVKWEKGMRINP-DFAIKKELSAPPKPLSEASLLGQMEKYSLGTPATRAEIIEKLIKSELMERTPQGLQVSPKGKQLLVLVNP---SLVTPDLTESWEKDLEAIAAGKKQAGTFLNGIEKETKRLVNEIKSSKQEYQDFSITQKKCPECGANLREKNTRDGKIYVCTNSDCNYRRRKDPKVSNHRCPQCHRKMEIIEGKNGA-YFRCKYDGTTEKLLDKKEQKKKMTKHEERRLLKKYAQAEEPEESPLAAALKAAMKK 2GAJ Chain:A ((23-601)) ----------ILGN-EYEVFASMGHIIDLPKSK-F-----GVDLE-KDFE---PEFAVIKGKEKVVEKLKDLAKK---GELLIASDMDREGEAIAWHIARVTNTLGRKNRIVFSEITPRVIREAVKNPREIDM--KKVRAQLARRILDRIVGYSLSPVLWRNFKSNLSAGRVQSATLKLVCDREREILRFVPKKYHRITVNFDGLTAEIDVK---EKKFFDAETLKEIQSI---DELVVEEKKVSVKKFAPPEPFKTSTLQQEAYSKLGFSVSKTMMIAQQLYEGVETKDGHIAFITYMRTDSTRVSDYAKEEARNLITEV--FGEE---YVG-----------------AHEAIRPTNVFMTPEEAGKYLNSDQKKLYELIWKRFLASQMKPSQYEETRFVLRTKDGKYRFKGTVLKKIFDGYEKVWKTERNTGEFPFEEGESVKPVVVKIEEQETKPKPRYTEGSLVKEMERLGIGRPSTYASTIKLLLNRGYIKKIRGYLYPTIVGSVVMDYLEKKYSDVVSVSFTAEMEKDLDEVEQGKKTDKIVLREFYESFSSVFDRNDR----IVVDFPTNQKCS-CGKEMRLSFGKYGFYLKCE---CGKTRSVK-----------NDEIAVI--DDGKIFL------------------------------------------------------

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 : 2630 85871 32.65 158.14 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 32.65 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.361

(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: