Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MRAEEQSKIREAAAGTIFLLIGTVCFASKS------IWI---------------KWAYQMGAEPDAVL---LYRQLLAVPLFWLIFLIYRPP----MPDGKKKGDLWKACGAG------------------VFCFFLSPLLDFIGLNHVSAMVERILLMSY------------------PLFVFGFTACRDRKMSSIQDLFAVLAV----MFGLFLALGGW---NAELFQANMIGAVFILLSSAVYAG------YLVLSGHLVHQIGGIRLNAYGMT------AAGAAMMLYTGIKSAAGMNTPMAAYPLSMYGL----FAVIAVVTTVIPFVLMLEGIKRIGAQR-AAAISMAGPILTIFYG-ALFLGERLGLIQVIGCGGVFFVITGMEYRKLKTGKKE 3H1W Chain:A ((1-393)) ASMQKLINSVQNYAWGSKTALTELYGIANPQQQPMAELWMGAHPKSSSRITGETVSLRDAIEKNKTAMLGEAVANRFGELPFLFKVLCAAQPLSIQVHPNKRNSEIGFAKENAAGIPMDAAERNYKDPNHKPELVFALTPFLAMNAFREFSDIVSLLQPVAGAHSAIAHFLQVPNAERLSQLFASLLNMQGEEKSRALAVLKAALNSQQGEPWQTIRVISEYYPDDSGLFSPLLLNVVKLNPGEAMFLFAETPHAYLQGVALEVMANSDNVLRA-GLTPKYIDIPELVANVKFEPKPAGELLTAPVKSGAELDFPIPVDDFAFSLHDLALQETSIGQHSAAILFCVEGEAVLRKDEQRLVLKPGESAFIGADESPVNASGTGRLARVYNKL-----------

General information: TITO was launched using: RESULT: Template: 3H1W.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 : 1457 -273092 -187.43 -910.31 target 2D structure prediction score : 0.33 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -187.43 2D Compatibility (Sec. Struct. Predict.) : 0.33 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.089

(partial model without unconserved sides chains): PDB file : Tito_3H1W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3H1W-query.scw PDB file : Tito_Scwrl_3H1W.pdb: