Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEAYFLQGILLMKKTLIALLSLLFSVDTLISASIIDPDVYTILEQSFPSIPKEQWMIQVLKGGLSGTALYKIETPTQQYVLRLHQSTQ-LSSQDEREHFALIEAAKLGIAPHVAYVSSDNRAILMEFVNHK-TLTLEKAKLPENIVKIACAIRKAHEIVGHPHVGESLLSNAHRCHEKVLKDGLGTE-ENINGALELIKRYREQLSAYACPQVNVHGDLNPRNIFLTDDNGVLLIDWAESSLEDPFYDLTYFALKHDYDEVQEALLLKTYLQRQPTVEETSRFTLQKKIHQAFWSLTNLYLADVQLRKHPQQKIDPQASLKSWSTYQKTYADSMEELPAQYFYELSRLNYQLAL 4R7B Chain:A ((22-293)) -----------------------------------EKIIKEKISSLLSQE-EEVLSVEQL-GGMTN-QNYLAKTTNKQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFDIEAGIKVNEYIESAITLDSTS--IKTKFDKIAPILQTIHTSAKELRGEFAPFEEIKKYESLIEEQIPYANYESVRN---AVFSLEKRLADLGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESEFTSQEEETFLSHYESDQT-PVSHEKIAIYKILQDTIWSLWTVYKEEQ------G--ED-------FGDYGVNRY-----------------------

General information: TITO was launched using: RESULT: Template: 4R7B.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 : 1256 26608 21.18 98.91 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 21.18 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.284

(partial model without unconserved sides chains): PDB file : Tito_4R7B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r7b-query.scw PDB file : Tito_Scwrl_4R7B.pdb: