Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDDMTKDNINQQTLQRGLKNRHIQL-----IAIGGAIGTGLFLGSGKSIHFAGPSILFAYMITGIICFLIMRS---LGELLLSNLNYHSFVDFVQDYLGDMAAFITGWTYWFCWISIAMADLTAVGLYTQYWLPGVPQWVP---------GLIALIILLIMNLATVKLFGELEFWFALIKVIAILALIVIGLVMIFKGFSTSSGVSSFTNLWSHGGLFPNGMHGFILSFQMVVFAFVGIELVGLTAGETENPEKVIPKAINNIPVRVLLFYIGALLVIMSIYPWD-IINPSESPF-VQVFVAVGIVGAASIINFVVLTSAASACNSAVFSTSRMVYSLAKDHNAPESMAKLTQRKVPRNALFFSAIVILIGVTLNYIMPEGVFTLITSISTVCFIYIWGITVICHMKYRKTRPELAKTNKFKLPLYPFTNYLILAFLAFVLVVLALAQDTRVSLFVTPVWFILLIVIYKVRKAKHQ 3GI9 Chain:C ((3-362)) ------------------LKNKKLSLWEAVSMAVGVMIGASIFSIFGVGAKIAGRNLPETFILSGIYALLVAYSYTKLGAKIVSNAGP---IAFIHKAIGD--NIITGALSILLWMSYVISIALFAKGFAGYFLPLI-APINTFNIAITEIGIVAFFTAL--NFFGSKAVGRAEFFIVLVKLLILGLFIFAGLITIHPSYVIPD-------------LAPSAVSGMIFASAIFFLSYMGFGVITNASEHIENPKKNVPRAIFISILIVMFVYVGVAISAIGNLPIDELIKASENALAVAAKPFLGNLGFL-LISIGALFSISSAMNATIYGGANVAYSLAKDGELPEFFERKVWFKSTEGLYITSALGVLFALLFNM---EGV----ASITSAVFMVIYLFVILSH-----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GI9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1818 -308842 -169.88 -908.36 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain C : 0.70 3D Compatibility (PKB) : -169.88 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_3GI9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GI9-query.scw PDB file : Tito_Scwrl_3GI9.pdb: