Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLFDHKITELKQLIHKKEIKISDLVDESYKRIQAVDDKVQAFLALDEERARAYAKELDEAVDGRSEHGLLFGMPIGVKDNIVTKGLRTTCSSKILENFDPIYDATVVQRLQDAEAVTIGKLNMDEFAMGSSTENSAYKLTKNPWNLDTVPGGSSGGSAAAVAAGEVPFSLGSDTGGSIRQPASFCGVVGLKPTYGRVSRYGLVAFASSLDQIGPITRTVEDNAFLLQAISGVDKMDSTSANVDVPDFLSSLTGDIKGLKIAVPKEYLGEGVGKEARESVLAALKVLEGLGATWEEVSLPHSKYALATYYLLSSSEASANLARFDGIRYGYRTDNADNLIDLYKQTRAEGFGNEVKRRIMLGTF-ALSSGYYDAYYKKAQKVRTLIKKDFEDVFEKYDVIVGPTTPTPAFKIGENTKDPLTMYANDILTIPVNLAGVPGISVPCGLADGLPLGLQIIGKHFDESTVYRVAHAFEQATDHHKAKPEL 2GI3 Chain:A ((6-465)) -DFRKLTIEECLKLSE---EEREKLPQLSLETIKRLDPHVKAFISVRENVS-------------VEKKGKFWGIPVAIKDNILTLGMRTTCASRILENYESVFDATVVKKMKEAGFVVVGKANLDEFAMGSSTERSAFFPTRNPWDLERVPGGSSGGSAAAVSAGMVVAALGSDTGGSVRQPASLCGVVGYKPTYGLVSRYGLVAFASSLDQIGPITKTVRDAAILMEIISGRDENDATTVNRKVD-FLSEIEEGVSGMKFAVPEEIYEHDIEEGVSERFEEALKLLERLGAKVERVKIPHIKYSVATYYVIAPAEASSN-------------------------TRNVGFGEEVRRRIMIGTFTLS-AAYYEAYFNKAMKVRRKISDELNEVLSQYDAILTPTSPVTAFKIGEIKD-PLTYYLMDIFTIPANLAGLPAISVPFGFSNNLPVGVQVIGRRFADGKVFRIARAIEKNSPYNE-----

General information: TITO was launched using: RESULT: Template: 2GI3.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 : 2830 -177378 -62.68 -407.76 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -62.68 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_2GI3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GI3-query.scw PDB file : Tito_Scwrl_2GI3.pdb: