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:B ((52-409)) ------------------------------------EIIIGICRKNIPGWKEINESYIEVKQIFSGLTN-QLFVVSIVNELKHPRILFRIYGKHV-FYDSKVELDVFRYLSNINIAPNIIADFP--EGRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQ-NNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA--------SVE--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 B - contact count / total energy / energy per contact / energy per residue : 1076 -15927 -14.80 -56.88 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -14.80 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.350

(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: