Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAKDEYFLETSSSKRIIVCLLDVFVSISTIRYLFFIARCENMFHNREVRKKLSNGGQKMKTVILAEKPSQAKAYAETFQQQKRHEGYYEISDPLFAGEVTITYGFGHLVDMVAPGAYEERWAKWSLENLPIFPETFRYEVPMDKRAQFSIVKRELQSADTIIIATDGDREGEAIAWSIIRQANAFSKEKNYLRLWINSLEKEAIYEGFKNLQPGKNYFPKYKEAQARQNADWLIGMNGSPLYSLLLQRKGIDGSFSLGRVQTPTLYMIYQLQEEIKHFKKETYFEGEGLITTNKGQFSGKIVPKKAFKTQEELTKEIEKLGAHLGKQNGRILEVTKKEKRLHSPRLFSLSSLQTKMNQLMKASAKATLDAAQGLYES--------KFLSYPRTDSFYITENEHQYLVKHLQNYKKFLGIEEVQTTEIKAKKRYVDAKKVQEHHAIIPTKTIPTPAR-FAKLSKLQQAIYLQVLRTTVAMFAADYIYEETTVMTGVQQLKLKSIGKIP--LQQGWQEILRIKSKKKEAQTLPPIVENEEAEV-ELKSMEKETQPPKPYTEGTLITAMKTAGKTLDNDEAQEILKEVEGIGTEATRANIIENLKQKHYIEVNKNEITVTPKGITLCKAVANE-PLLTSAEMTARWEGYLRKIGKQEGTPSVFLENIKKFILHLLAEVPNQIDKVDFSDEISGTRQIKAMEKKNDQLGRCPKCKKGIVML---YPKIATCLNPECDFKLWPTVAKKKLTKTNLRDLLSKGKTSKVVKGFTGKKGKFDAVLVLKEDMTIGFSFPWIENSGTKAVDGNKETSRKNNENEVE 2GAJ Chain:A ((7-588)) -------------------------------------------------------------KYIVVESPAKAKTIKSILGN-----------------EYEVFASMGHIIDLPKSK-----F-GVDLE-KDFE---PEFAVIKGKEKVVEKLKDLAKK-GELLIASDMDREGEAIAWHIARVTN---TLGRKNRIVFSEITPRVIREAVKNPREIDM--KKVRAQLARRILDRIVGYSLSPVLWRNFK-----SNLSAGRVQSATLKLVCDREREILRFVPKKYHRITVNFDGLTA--EIDVKE-KKFFDAETLKEIQSI-------DELVVEEKKVSVKKFAPPEPFKTSTLQQEAYSKLGFSVSKTMMIAQQLYEGVETKDGHIAFITYMRTDSTRVSDYAKEEARNLITEVFG---EEYVG-----------------AHEAIRPTNVFMTPEEAGKYLNSDQKKLYELIWKRFLASQMKPSQYEETRFVLRTKDGKYRFKGTVLKKIFDGYEKVWKTER----NTGEFPFEEGESVKPVVVKIEEQETKPKPRYTEGSLVKEME-----------------RLGIGRPSTYASTIKLLLNRGYIKKIRGYLYPTIVGSVVMDYLEKKYSDVVSVSFTAEMEKDLDEVEQGKKTDKIVLREFYESFSSVFDRNDRIV-------------------VDFPTNQKCS-CGKEMRLSFGKYGFYLKCE---CGKTRSVKN----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2GAJ.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 : 2788 -2931 -1.05 -5.31 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -1.05 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.336

(partial model without unconserved sides chains): PDB file : Tito_2GAJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GAJ-query.scw PDB file : Tito_Scwrl_2GAJ.pdb: