Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSQPVRSAAEWTAGDVAGVLAQACPA-ARVTSIRPGPPSYSNCLWLAETVDGRLLVRIPGRSA-DPEYVRATVTATHLASAAGVPTVRYHEFVPQTPLGLPVTIQEYLPGE-SGTAALRADRADLRLLASTLGDWLGTLHGVRRETFGAVTGSGERTTWTAAATDQVETALRAVPEAALPASPATIAAAFARVVAELG-PGEPASLVHGDLYLDNMLVDN-GAPAALLDFEHAHYYDRFADFGKLSELLFEWWPGAEEPFLESYRDHFPPDPADEVRLRLGVGLYALNQTAYFARWQPELVGEYRTRLGKWLAAG 4R78 Chain:A ((21-274)) ------------MEKIIKEKISSLLSQEEEVLSVEQL-GGMTNQNYLAKTTNKQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFDIE-----AGIKVNEYIESAITLDST------SIKTKFDKIAPILQTIHTSAKELRGEFAP--FEEI--KKYESLIEEQIPY-------ANYESVRNAVFSLEKRLADLGVDRKSCHIDLVPENFIESPQGRL-YLIDWEYSSMNDPMWDLAALFLESE-FTSQEEETFLSHYESDQT--PVSHEKIAIYKILQDTIWSLW-----------------------

General information: TITO was launched using: RESULT: Template: 4R78.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 : 1130 7931 7.02 31.85 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 7.02 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.326

(partial model without unconserved sides chains): PDB file : Tito_4R78.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r78-query.scw PDB file : Tito_Scwrl_4R78.pdb: