Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAGYTPMIQQYLKIKAEHQDAFLFFRLGDFYEMFFEDAKKASQELEITLTSRDGGAAEKIPMCGVPYHSASAYIEQLIKKGYKVAICEQTEDPKAAKGVVKREVVQLITPGTVMDGKGIHESENNFIASVSACSNGYGLALSDLTTGE-NLAVLIERLEDVISEIYSVGAREIVVSGSLDADTVAQLRERCGATISIEDGETDEHVTIIEHLNNEDITKTFLR---------------LYTYLKRTQKRSLDHLQPVQVYELEEAMKIDLYSKRNLELTETIRSKNKKGSLLWLLDETKTAMGGRLLKQWIDRPLIRVNQIEERQEMVETLMSHFFEREDLRERLKEVYDLERLAGRVAFGNVNARDLIQLKESLKQVPGIKQLVASLAHDKAKERAKRIDPCGDVLELLEEALYENPPLSVKEGNLIKDGYNQKLDEYRDASRNGKDWIARLEQQEREYTGIRSLKVGFNKVFGYYIEVTKANLHLLEEGRYERKQTLTNAERYITPELKEKEALILEAENNICELEYELFTELREKVKQYIPRLQQLAKQMSELDALQCFATISENRHYTKPEF-SKDEVEVIEGRHPVVEKVMDSQEYVPNNCMMGDNRQMLLITGPNMSGKSTYMRQIALISIMAQIGCFVPAKKAVLPIFDQIFTRIGAADDLISGQSTFMVEMLEAKNAIVNATKNSLILFDEIGRGTSTYDGMALAQAIIEYVHDHIGAKTLFSTHYHELTVLEDKLPQLKNVHVRAEEYNGTVVFLHQIKEGAADKSYGIHVAQLAELPGDLIARAQDILKELEHSGNKPEVPVQKPQVKEEPAQLSFFDEAEKPAETPKLSKKEKQVIDAFKSLNILDMTPLEAMNEMYKLQKKLH 1WB9 Chain:A ((9-797)) --AHTPMMQQYLRLKAQHPEILLFYRMGDFYTLFYDDAKRASQLLDISLTKRGASAGEPIPMAGIPYHAVENYLAKLVNQGESVAICEQIGDPATSKGPVERKVVRIVTPGTISDEALLQERQDNLLAAIWQDSKGFGYATLDISSGRFRLSEPADR-ETMAAELQRTNPAELLYAEDFAEMSLIEGRRGLRRRPLWE-FEID---TARQQLNLQFGTRDLVGFGVENAPRGLCAAGCLLQYAKDTQRTTLPHIRSITMEREQDSIIMDAATRRNLEITQNL-AGGAENTLASVLDCTVTPMGSRMLKRWLHMPVRDTRVLLERQQTIGALQDF---TAGLQPVLRQVGDLERILARLALRTARPRDLARMRHAFQQLPELRAQLETVDSAPVQALREKMGEFAELRDLLERAIIDTPPVLVRDGGVIASGYNEELDEWRALADGATDYLERLEVRERERTGLDTLKVGFNAVHGYYIQISRGQSHL-APINYMRRQTLKNAERYIIPELKEYEDKVLTSKGKALALEKQLYEELFDLLLPHLEALQQSASALAELDVLVNLAERAYTLNYTCPTFIDKPGIRITEGRHPVVEQVLN-EPFIANPLNLSPQRRMLIITGPNMGGKSTYMRQTALIALMAYIGSYVPAQKVEIGPIDRIFTRVG-----------FMVEMTETANILHNATEYSLVLMDEIGRGTSTYDGLSLAWACAENLANKIKALTLFATHYFELTQLPEKMEGVANVHLDALEHGDTIAFMHSVQDGAASKSYGLAVAALAGVPKEVIKRARQKLRELE-------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1WB9.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 : 3871 -342455 -88.47 -450.01 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -88.47 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_1WB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WB9-query.scw PDB file : Tito_Scwrl_1WB9.pdb: