Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKEHYDRSKPHVNIGTIGHVDHGKTTLTAAITTVLGKKGLANPQDYASIDAAPEERERGITINTAHVEYETEKRHYAHIDAPGHADYVKNMITGAAQMDGAILVVSATDGPMPQTREHILLSRQVGVKYLIVFLNKVDLVDDEELIDLVEMEVRELLSEYGFPGDDTPVIKGSALKALQGDPDAEAAIMELMDTVDEYIPTPERDTDKPLLLPVEDVFSITGRGTVASGRIDRGAVRVGDEVEIVGIKPETQKAVVTGVEMFRKTLDYGEAGDNVGVLLRGIQRDDIERGQVLAKPGSITPHTKFKAEVYVLTKEEGGRHTPFFNNYRPQFYFRTTDVTGTITLPEDTEMVMPGDNVTIDVDLIHPIAVENGTTFSIREGGRTVGSGIVTEIEA 1DG1 Chain:H ((10-392)) ---------KPHVNVGTIGHVDHGKTTLTAAITTVLAKTYGGAARAFDQIDNAPEEKARGITINTSHVEYDTPTRHYAHVDCPGHADYVKNMITGAAQMDGAILVVAATDGPMPQTREHILLGRQVGVPYIIVFLNKCDMVDDEELLELVEMEVRELLSQYDFPGDDTPIVRGSALKALEGDAEWEAKILELAGFLDSYIPEPERAIDKPFLLPIEDVFSISGRGTVVTGRVERGIIKVGEEVEIVGIK-ETQKSTCTGVEMFRKLLDEGRAGENVGVLLRGIKREEIERGQVLAKPGTIKPHTKFESEVYILSKDEGGRHTPFFKGYRPQFYFRTTDVTGTIELPEGVEMVMPGDNIKMVVTLIHPIAMDDGLRFAIREGGRTVGAGVVAKV--

General information: TITO was launched using: RESULT: Template: 1DG1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 2226 -201068 -90.33 -524.98 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain H : 0.94 3D Compatibility (PKB) : -90.33 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_1DG1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DG1-query.scw PDB file : Tito_Scwrl_1DG1.pdb: