Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSYMLGIDIGTTSTKAVLFSENGDVVQKESIGYPLYTPDISTAEQNPEEIFQAVIHTTARITKQH-PEKRISFISFSSAMHSVIAIDENDKPLTPCITWADNRSEGWAHKIKEELNGHEVYKRTGTPIHPMAPLSKIAWITNERKEIASKAKK-YIGIKEYIFKQLFNEYVIDYSLASATGMMNLKGLDWDEEALRIAGITPDHLSKLVPTTEIFQHCSPEIAIQMGIDPETPFVIGASDGVLSNLGVNAIKKGEIAVTIGTSGAIRTIIDKPQTD--EK-GR-IFCYALTDKHWVIGGPVNNGGIVLRWIRDEFASSEIETATRLGIDPYDVL-TKIAQ--RVRPGSDGLLFHPYLAGERAPLWNPDVRGSFFGLTMSHKKEHMIRAALEGVIYNLYTVFLALTECMDGPVTRIQATGGFARSEVWRQMMSDIFESEVVVPES-YESSCLGACILGLYATGKIDSFDAVSD-M--IGSTYRHTPIEDSAKEYRTLMPIFINLSRLLENQYTQIADYQRGLITHK 3HZ6 Chain:A ((3-501)) LAFYIATFDIGTTEVKAALADRDGGLHFQRSIALETYGDGNGPVEQDAGDWYDAVQRIASSWWQSGVDARRVSAIVLSGQMQNFLPLDQDHEPLHRAVLYSDKRPLKEAEEINARHGADNLWSALENPMTAASILPKLVFWRASFPQAFGRLRHVVLGAKDYVVLRLTGRHATDRTNASTTGLYRPKDDAWHVELLADYGFSLDLMPRLLEPGEQVGGVSALAARQTGFVSGTPVLCGLGDAGAATLGVGVLDDEDAYLHLGTTGWLARLTQTDPVGDMPVGTIFRLAGI-IAGKTLQVAPVLNAGNILQWALTLVGHRPG--------EDCAEYFHMAAAEVQGVTVPDGLLFVPYLHAERCPVELPAPRGALLGVTGATTRAQILLAVLEGAALSLRWCAELLGME---KVGLLKVVGGGARSEAWLRMIADNLNVSLLVKPDAHLHPLRGLAALAAVELEWSHSIQDFLREADLR--SNILHPQPCDEGRRRRKFERFKQCVETLGR----------------

General information: TITO was launched using: RESULT: Template: 3HZ6.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 : 2929 -66822 -22.81 -138.35 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -22.81 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_3HZ6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HZ6-query.scw PDB file : Tito_Scwrl_3HZ6.pdb: