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 3GIA Chain:A ((3-362)) ------------------LKNKKLSLWEAVSMAVGVMIGASIFSIFGVGAKIAGRNLPETFILSGIYALLVAYSYTKLGAKIVSNAGP---IAFIHKAIGD--NIITGALSILLWMSYVISIALFAKGFAGYFLPLINAPINTFNIAITEIGIVAFFTAL--NFFGSKAVGRAEFFIVLVKLLILGLFIFAGLITIHPSYVIPD-------------LAPSAVSGMIFASAIFFLSYMGFGVITNASEHIENPKKNVPRAIFISILIVMFVYVGVAISAIGNLPIDELIKASENALAVAAKPFLGNLGFL-LISIGALFSISSAMNATIYGGANVAYSLAKDGELPEFFERKVWFKSTEGLYITSALGVLFALLFNM---EGV----ASITSAVFMVIYLFVILSH-----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GIA.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 : 1859 -320043 -172.16 -938.54 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -172.16 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.320

(partial model without unconserved sides chains): PDB file : Tito_3GIA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GIA-query.scw PDB file : Tito_Scwrl_3GIA.pdb: