Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGYLKVLSPDGRWETRYVEIDDAKLRIWRTKGDKESSAAVVKELDLKCATLREVSEPNTWAVQPEKAEATYFQADGEERKTEWMDTLRHYNSSSSASEKVTLRDFEKKFVLGKGSYGKVFMVVKKDTDKWYAMKEMSAEKMRQ-AEIKAPFAERIILEEI-DHPFIVHLHYSFQEQGNLYMILDLLAGGELFTYIEQHAPLDEEVVKFYAAEVALALGYLHSRNIIYRDLKPENVVFDRDGHACLTDFGLAKANVHEPNAVTYCGTNEYLAPELLKGVPHGKAVDWWSLGLMMCEMLFNDLPFYDENPMQMQMKILTEDVAFPPHIQITEETKDLIRCLLNKNPERRLQTL-----EAFKAHKCFSNLDFGLLEARKLKAPITPD---PNPAHNFAKEFTSEVIVQNE-----SPSQAVVTLAGYTYDRDLSEQEKSPSHSPTIAEELRQRRASMKKSTNGSDAASPPVTGENRTSNSSPAGAPTKQAAAGPVKKVEHHIPAKVAPQAARKKLTGNKSFDKPTK 3TXO Chain:A ((23-348)) -------------------------------------------------------------------------------------------------------DNFEFIRVLGKGSFGKVMLARVKETGDLYAVKVLKKDVILQDDDVECTMTEKRILSLARNHPFLTQLFCCFQTPDRLFFVMEFVNGGDLMFHIQKSRRFDEARARFYAAEIISALMFLHDKGIIYRDLKLDNVLLDHEGHCKLADFGMCKEGIC--------GTPDYIAPEILQEMLYGPAVDWWAMGVLLYEMLCGHAPFEAENEDDLFEAILNDEVVYPT--WLHEDATGILKSFMTKNPTMRLGSLTQGGEHAILRHPFFKEIDWAQLNHRQIEPPFRPRIKSREDVSNFDPDFIKEEPVLTPIDEGHLPMINQDEFRNFEYVS-----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TXO.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 : 1411 -20603 -14.60 -68.22 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -14.60 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.506

(partial model without unconserved sides chains): PDB file : Tito_3TXO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TXO-query.scw PDB file : Tito_Scwrl_3TXO.pdb: