Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MEEKYETNGYDTSIVYDYKEYPDVKYGRCDNCDYTLFKSSVKSGIFLRECRRCGMKKSI--------------- 2GAI Chain:A ((7-601)) KYIVVESPAKAKTIKSILGNEYEVFASMGHIIDLPKSKFGVDLEKDFEPEFAVIKGKEKVVEKLKDLAKKGELLIASDMDREGEAIAWHIARVTNTLGRKNRIVFSEITPRVIREAVKNPREIDMKKVRAQLARRILDRIVGYSLSPVLWRNFKSNLSAGRVQSATLKLVCDREREILRFVPKKYHRITVNFDGLTAEIDVKEKKFFDAETLKEIQSIDELVVEEKKVSVKKFAPPEPFKTSTLQQEAYSKLGFSVSKTMMIAQQLYEGVETKDGHIAFITYMRTDSTRVSDYAKEEARNLITEVFGEEYVGAHEAIRPTNVFMTPEEAGKYLNSDQKKLYELIWKRFLASQMKPSQYEETRFVLRTKDGKYRFKGTVLKKIFDGYEKVWKTERNTGEFPFEEGESVKPVVVKIEEQETKPKPRYTEGSLVKEMERLGIGRPSTYASTIKLLLNRGYIKKIRGYLYPTIVGSVVMDYLEKKYSDVVSVSFTAEMEKDLDEVEQGKKTDKIVLREFYESFSSVFDRND-----RIVVDFPTNQKCSCGKEMRLSFGKYGFYLK-CE-CGKTRSVKNDEIAVIDDGKIFL

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 A - contact count / total energy / energy per contact / energy per residue : 108 9156 84.78 176.08 target 2D structure prediction score : 0.33 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : 84.78 2D Compatibility (Sec. Struct. Predict.) : 0.33 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.265

(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: