Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAGYTPMIQQYLKIKAEHQDAFLFFRLGDFYEMFFEDAKKASQELEITLTSRDGGAAEKIPMCGVPYHSASAYIEQLIKKGYKVAICEQTEDPKAAKGVVKREVVQLITPGTVMDGKGIHESENNFIASVSACSNGYGLALSDLTTGE-NLAVLIERLEDVISEIYSVGAREIVVSGSLDADTVAQLRERCGATISIEDGETDEHVTIIEHLNNEDITKTFLR---------------LYTYLKRTQKRSLDHLQPVQVYELEEAMKIDLYSKRNLELTETIRSKNKKGSLLWLLDETKTAMGGRLLKQWIDRPLIRVNQIEERQEMVETLMSHFFEREDLRERLKEVYDLERLAGRVAFGNVNARDLIQLKESLKQVPGIKQLVASLAHDKAKERAKRIDPCGDVLELLEEALYENPPLSVKEGNLIKDGYNQKLDEYRDASRNGKDWIARLEQQEREYTGIRSLKVGFNKVFGYYIEVTKANLHLLEEGRYERKQTLTNAERYITPELKEKEALILEAENNICELEYELFTELREKVKQYIPRLQQLAKQMSELDALQCFATISENRHYTKPEF-SKDEVEVIEGRHPVVEKVMDSQEYVPNNCMMGDNRQMLLITGPNMSGKSTYMRQIALISIMAQIGCFVPAKKAVLPIFDQIFTRIGAADDLISGQSTFMVEMLEAKNAIVNATKNSLILFDEIGRGTSTYDGMALAQAIIEYVHDHIGAKTLFSTHYHELTVLEDKLPQLKNVHVRAEEYNGTVVFLHQIKEGAADKSYGIHVAQLAELPGDLIARAQDILKELEHSGNKPEVPVQKPQVKEEPAQLSFFDEAEKPAETPKLSKKEKQVIDAFKSLNILDMTPLEAMNEMYKLQKKLH 3K0S Chain:B ((17-796)) -----------LRLKAQHPEILLFYRMGDFYELFYDDAKRASQLLDISLT----------PMAGIPYHAVENYLAKLVNQGESVAICEQ-----------ERKVVRIVTPGTISDEALLQERQDNLLAAIWQDSKGFGYATLDISSGRFRLSEPADR-ETMAAELQRTNPAELLYAEDFAEMSLIEGRRGLRRRPLWE-FEID---TARQQLNLQFGTRDLVGFGVENAPRGLCAAGCLLQYAKDTQRTTLPHIRSITMEREQDSIIMDAATRRNLEITQNL-AGGAENTLASVLDCTVTPMGSRMLKRWLHMPVRDTRVLLERQQTIGALQDF---TAGLQPVLRQVGDLERILARLALRTARPRDLARMRHAFQQLPELRAQLETVDSAPVQALREKMGEFAELRDLLERAIIDTPPVLVRDGGVIASGYNEELDEWRALADGATDYLERLEVRERERTGLDTLKVGFNAVHGYYIQISRGQSHL-APINYMRRQTLKNAERYIIPELKEYEDKVLTSKGKALALEKQLYEELFDLLLPHLEALQQSASALAELDVLVNLAERAYTLNYTCPTFIDKPGIRITEGRHPVVEQVLN-EPFIANPLNLSPQRRMLIITGPNMGGKSTYMRQTALIALMAYIGSYVPAQKVEIGPIDRIFTRVG---------STFMVEMTETANILHNATEYSLVLMNEIGRGTSTYDGLSLAWACAENLANKIKALTLFATHYFELTQLPEKMEGVANVHLDALEHGDTIAFMHSVQDGAASKSYGLAVAALAGVPKEVIKRARQKLRELE-------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3K0S.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3734 -335261 -89.79 -457.38 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -89.79 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_3K0S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K0S-query.scw PDB file : Tito_Scwrl_3K0S.pdb: