Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEAYFLQGILLMKKTLIALLSLLFSVDTLISASIIDPDVYTILEQSFPSIPK---EQWMIQVLKGGLSGTALYKIETPT----QQYVLRLHQSTQLSSQDEREHFALIEAAKLGIAPHVAYVSSDNRAILMEFVNHKTLTLEKAKLPENIVKIACAIRKAHEIVGHPHVGE-------SLLSNAHRCHEKVLKDG----LG-TE--ENINGALELIKRYR-------------EQLSAYACPQVNVHGDLNPRNIFLTDDNGVLLIDWAESSLEDPFYDLTYFALKHDY------------------DEVQEALLLKTYLQRQPT----------VEETSRFTLQKKIHQAFWSLTNLYLADVQLRKHPQQKIDPQASLKSWSTYQKTYADSMEELPAQYFYELSRLNYQLAL 3MES Chain:A ((52-409)) ------------------------------------EIIIGICRKNIPGWKEINESYIEVKQIFSGLTN-QLFVVSIVNELKHPRILFRIYGKHVKFYDSKVELDVFRYLSNINIAPNIIADFP--EGRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNN-IDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQ-NNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA---------VE--FD-------FTEYANTRFTHYLQKKKEL-------------

General information: TITO was launched using: RESULT: Template: 3MES.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 : 1076 -2083 -1.94 -7.47 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -1.94 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.357

(partial model without unconserved sides chains): PDB file : Tito_3MES.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3mes-query.scw PDB file : Tito_Scwrl_3MES.pdb: