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 2GAI Chain:B ((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: 2GAI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2608 89096 34.16 164.08 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : 34.16 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.365

(partial model without unconserved sides chains): PDB file : Tito_2GAI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GAI-query.scw PDB file : Tito_Scwrl_2GAI.pdb: