Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKISHLCMLLLLLCTTFFVFNVNYTREVVRIQEMGKTVD-SLDLYLKDINEPAASVLRFFEDVSKEYKVSIIKTDSGDEVVKSGVFDKDTFPYQEFGISSLDFTTDGEGVYSNKEISNKLGTIPTF-LKAKPIQLMTFQTYIKDTSRSLNGRYTITSTQEMDKDRIVQKWSDFFKIDQATLLEP--TYKSAV-----EVINRDLLLSAIVFVLAILLLVLVTV-YQPMMEMKRVGV--QKLLGFQDRAVLADVVKGNLYLLLGGALVINLGVFFLLDYKPKDLFPMLWLSHFLLLQLYLFISWLTYLLIQKMTISSLLKGFSSFKFG--LIFNYVMKIGTTILLTALLIGVGRSLEQENKELAYQQQWVSQGNYLTLETFKLNDNLWQEELAGSGKSTDYFYRFYQDLVEKTQAGYVQSSSLPVKNFVQSEQIQQYQLTDTVDVYYA---NRNFLKSKG-FKLPDTGIKKVILMPASTKGEEDKNQLLGKLIAFHSMKYEEQQKRTIEEMDVEIAYYEGDWSFFPYSDKRKE-NLSNPIISLVNDSDMMWDEKASLSTTGLNNPIKIENTVQHQKEITELVEKLSD-GNYLKFSSIQAIQQEKVDSYRDAVRNFNLLFALFGLLSMMISYFLLVTTFLLKRRDIITKKFMGWKLVDRYRPLLVLLLLGYSFPLLVLIFFAHAFLPLLLFAGFTCLDILFVLGLASRMEKRSLVELLKGGIL 5DGK Chain:A ((4-556)) ----------------TLFEIGPFALDSFGWKETIPKVVRMA---------SPIIVNARFSDPITGVEKLIITNNNGKKDIFESDILTTRNLPSLI-----------KYGYSINEKYIRSLSYALQLMRDRLPLSELYEGVGILETPFG----YLISLDKVLKSIQFNQSSPSYPIVDSAYDLTPKGTFDNWFNMYIDEVKGHLLLELAVIFGISALVTSFLKHKHEIEFAGILFSFTGQSSTGKSTAAALAVSVAGN----------------------PTKGNE------------TLFRSWNAT--------RNALEGYLSNNYGIPIVFDELSSTDTTGLLYSIAEGQGRQTPKN-----WGTSVISTSEYSIFNDSAQNDGLRVRTIEINEQFTT-NATNADNIKKAVALNYGHVLPLVAKYLINREDEVIQWFYKEVDWFEAKLKDETNNTGIRMFKRYAVITTSAKILGRVLSTDIDIANIRDYFIDYHTHTVSERS-LADKAIDVIIQFVAQNRGKFSDEGALKNMFENYGLISLKDD----------------------------HIEVKIIANVFKQMLNNHQFQDVNNVVNALRDK-----------------------------GFILADRGRQTTVFYHLKLDVEFASILGL---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5DGK.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 : 2582 55821 21.62 111.87 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 21.62 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.143

(partial model without unconserved sides chains): PDB file : Tito_5DGK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DGK-query.scw PDB file : Tito_Scwrl_5DGK.pdb: