Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQVDTLDTQKLAEYLEQHIDGFKGPIEADKFEGGQSNPTFKITAASGAYVLRRQPPGKLLKSAHAVDREFRVMAALKDTDVPVPNVLHLCEDRDVIGSMFYVMEFCEGR-ILWSAGLPEMGEGEAANAVRGEMYSEMNRVLAAMHSVDLEAVGLTDYGKPGNYFERQLGRWTQQYEASKL-QEIPAMDSLIEWLQANQPEDDGQVSLVHGDYRLDNMMWHPEKPQVIAVLDWELSTLGHPLADLAYQCMGMRMPQRGAKMAGLQGKDRTALGIPTEKEYVAMYCERRGISQIDNWEFYLAFSFFRLAAICQGVAKRAEDGNASNKQAAEVGALVEPLATMAMQIINEGA 4R7B Chain:A ((22-275)) --------EKIIKEKISSLLSQEEEVLSVEQL-GGMTNQNYLAKTTNKQYIVKFFGKGTE--KLINRQDEKYNLELLKDLGLDVKNYLFDIE------AGIKVNEYIESAITLDST-------------SIKTKFDKIAPILQTIHTSAKELRGE--FAPF-----EEIKKYESLIEEQIPYANYESVRNAVFSLEKRLADLGVDRKSCHIDLVPENFIESPQ-GR-LYLIDWEYSSMNDPMWDLAALFLESEFT------------------SQEEETFLSHYESDQTPVSHEKIAIYKILQDTIWSLWT---------------------------------------

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 : 1150 -41445 -36.04 -164.46 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -36.04 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.298

(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: