Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAHTEQYRFPKDFWWGSSASATQMEGAADRDGKGQNIWDYWFEKEPHRFFDHVGPADTSQFYDNYKEDIRLMKELGHNSFRMSISWSRLIPNGTGEINDKAADFYNNVIDELIANGIEPFVNLFHFDMPMALQK-IGGWVNRETVDAYENYARTCFRLFGGRVKKWFTHNEPIVPVEGGYLYDFHYPNKVD------------FKEAVQVGFHTMLSSARAIQAYREMK---QDGKIGIILNLTPSYPRSSHPADVKAGEIADAFFNRSFLDPSVKGEFPKELVDILKHEGFMPDYNAEDLDIIKKNTVDLLGVNYYQPRRVKAKEHLPNPDAPFL-PDRYFD-----P-YVMPGRKMNPHRGW-EIYEKGVYDILINLKENYGNIECFISENGMGVEGEERFRDEQGIIQDDYRIEFIKEHLKWIHRAIQEGSNVKGYHLWTFMDNWSWTNAYKNRYGFVSVNLEKDGERTVKKSGKWFKEVAEHSGF 2DGA Chain:A ((67-546)) -QIPKRDWFDKDFLFGASTSAYQIEGAWNEDGKGPSTWDHFCHTYPERISDMTNGDVAANSYHLYEEDVKALKDMGMKVYRFSISWSRILPDGTGKVNQAGIDYYNKLINSLIDNDIVPYVTIWHWDTPQALEDKYGGFLNRQIVDDYKQFAEVCFKNFGDRVKNWFTFNEPHTYCCFSYGEGIHAPGRCSPGMDCAVPEGDSLREPYTAGHHILLAHAEAVQLFKARYNMHGDSKIGMAFDVMGYEPYQDSFLDDQARERSIDYNMGWFLEPVVRGDYPFSMRSLIGD-RL-PMFTKEEQEKLA-SSCDIMGLNYYTSRFSKHVDMSPD-FTPTLNTDDAYASSETTGSDGNDIGPITG-TYWIYMYPKGLTDLLLIMKEKYGNPPVFITENGIADVEGD-E-SMPDPLDDWKRLDYLQRHISAVKDAIDQGADVRGHFTWGLIDNFEWSLGYSSRFGLVYIDKNDGNKRKLKKSAKWFSKFNSVPK-

General information: TITO was launched using: RESULT: Template: 2DGA.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 : 2735 -158842 -58.08 -348.34 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -58.08 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_2DGA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DGA-query.scw PDB file : Tito_Scwrl_2DGA.pdb: