Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAHTEQYRFPKDFWWGSSASATQMEGAADRDGKGQNIWDYWFEKEPHRFFDHVGPADTSQFYDNYKEDIRLMKELGHNSFRMSISWSRLIPNGTGEINDKAADFYNNVIDELIANGIEPFVNLFHFDMPMALQ-KIGGWVNRETVDAYENYARTCFRLFGGRVKKWFTHNEPIVPVEGGYLYDFHYPNKV------------DFKEAVQVGFHTMLSSARAIQAYR---EMKQDGKIGIILNLTPSYPRSSHPADVKAGEIADAFFNRSFLDPSVKGEFPKELVDILKHEGFMPDYNAEDLDIIKKNTVDLLGVNYYQPRRVK----AKEHLPNPDAPFLPDRYFDPYVM--PGRKMNPHRG--W-EIYEKGVYDILINLKENYGNIECFISENGMG-VEGEERFRDEQGIIQDDYRIEFIKEHLKWIHRAIQEGSNVKGYHLWTFMDNWSWTNAYKNRYGFVSVNLEKDGERTVKKSGKWFKEVAEHSGF 3AIW Chain:A ((74-540)) --------FSKDFLFGASTSAYQIEGAWNEDGKGPSTWDHFCHTYPERISDGTNGDVAANSYHMYEEDVKALKDMGMKVYRFSISWSRILPNGTGKPNQKGIDYYNNLINSLIRHGIVPYVTIWHWDTPQALEDKYGGFLDKQIVNDYKYFAELCFQSFGDRVKNWFTFNEPHTYCCFSYGEGIHAPGRCSPGLDCAVPEGDSLREPYTAGHHILLAHAEAVELFKAHYNKHGDSKIGMAFDVMGYEPYQDSFLDDQARERSIDYNMGWFLEPVVRGDYPFSMRSLIGDR--LPMFTKEEQEKL-ASSCDIMGLNYYTSRFSKHVDISSDYTPTLNT---DDAYASSETTGSDGNEIGPITGTYWIYMYPKGLTDLLLIMKEKYGNPPIFITENGIADVEGDPEMPDP---LDDWKRLDYLQRHISAVKDAIDQGADVRGHFTWGLIDNFEWGSGYSSRFGLVYIDKEDGNKRKLKKSAKWFAK-------

General information: TITO was launched using: RESULT: Template: 3AIW.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 : 2665 -159379 -59.80 -361.40 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -59.80 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.490

(partial model without unconserved sides chains): PDB file : Tito_3AIW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AIW-query.scw PDB file : Tito_Scwrl_3AIW.pdb: