Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFSLSEEHEMIRKLVRDFAKHEVAPTAAERDEQERFDRELFREMANLGLTGIPWPEDYGGIGSDYLAYVIAVEELSKVCASTGVTLSAHISLCSWPLFAFGTEEQKTEYLTQLALGEKIGAFALTEAGSGSDAGSMKTTAERIGDDYVLNGSKVFITNGGVADIYIVFAVTDPEKKKKGVTAFIVEKDFEGFFTGKKEKKLGIRSSPTTEIMFEDCVVPASKRLGEEGEGFKIAMKTLDGGRNGIAAQAVGIAQGALDAALQYAKERKQFGKSIAEQQGIAFKLADMATMIEASRLLTYQAAWLESSGLPYGKASAMSKLMAGDTAMKVTTEAVQIFGGYGYTKDYPVERYMRDAKITQIYEGTQEIQRLVISRMLAD 3PFD Chain:D ((22-391)) -------EHIALREAIRALAEKEIAPYAAEVDEKARFPEEALAALNSSGFSAIHVPEEYGGQGADSVATCIVIEEVARVDCSASL-IPAVNKLGTMGLILRGSEELKKQVLPAVASGEAMASYALSEREAGSDAASMRTRAVADGDDWILNGSKCWITNGGKSTWYTVMAVTDPDKGANGISAFMVHKDDEGFTVGPKERKLGIKGSPTTELYFENCRIPGDRIIGEPGTGFKTALATLDHTRPTIGAQAVGIAQGALDAAIAYTKERKQFGRPVSDNQGVQFMLADMAMKIEAARLMVYSAAARAERG--LGFISAASKCFASDVAMEVTTDAVQLFGGYGYTQDFPVERMMRDAKITQIYEGTNQIQRVVMSRAL--

General information: TITO was launched using: RESULT: Template: 3PFD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2206 -147712 -66.96 -402.48 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain D : 0.86 3D Compatibility (PKB) : -66.96 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.417

(partial model without unconserved sides chains): PDB file : Tito_3PFD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PFD-query.scw PDB file : Tito_Scwrl_3PFD.pdb: