Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGYLKVLSPDGRWETRYVEIDDAKLRIWRTKGDKESSAAVVKELDLKCATLREVSEPNTWAVQPEKAEATYFQADGEERKTEWMDTLRHYNSSSSASEKVTLRDFEKKFVLGKGSYGKVFMVVKKDTDKWYAMKEMSAEKMRQ-AEIKAPFAERIILEEIDHPFIVHLHYSFQEQGNLYMILDLLAGGELFTYIEQH-APLDEEVVKFYAAEVALALGYLHSRNIIYRDLKPENVVFDRDGHACLTDFGLAKANVHEP--NAVTYCGTNEYLAPELLKG---VPHGKAVDWWSLGLMMCEMLFNDLPFYDENPMQMQMKILTEDV--AFPP-HIQITEETKDLIRCLLNKNPER--RLQTLEAFKAHKCFSNLDFGLLEARKLKAPITPD---PNPAHNFAKEFTSEVIVQNE----SPSQAVVTLAGYTYDRDLSEQEKSPSHSPTIAEELRQRRASMKKSTNGSDAASPPVTGENRTSNSSPAGAPTKQAAAGPVKKVEHHIPAKVAPQAARKKLTGNKSFDKPTK 5OTE Chain:A ((72-409)) ---------------------------------------------------------------------------------------------------QLHREDFEIIKVIGRGAFGEVAVVKMKNTERIYAMKILNKWEMLKRAETACFREERDVLVNGDCQWITALHYAFQDENHLYLVMDYYVGGDLLTLLSKFEDKLPEDMARFYIGEMVLAIDSIHQLHYVHRDIKPDNVLLDVNGHIRLADFGSCLKMNDDGTVQSSVAVGTPDYISPEILQAMEDGKYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHEERFQFPSHVTDVSEEAKDLIQRLICSRERRLGQNG-IEDFKKHAFFEGLNWENIR--NLEAPYIPDVSSPSDTSNFD--------ILPPGSHTGFSGLHLPFIGFTFTTES---------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5OTE.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 : 1564 -76732 -49.06 -249.94 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -49.06 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_5OTE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5OTE-query.scw PDB file : Tito_Scwrl_5OTE.pdb: