Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYDVIVIGAGPSGMTAALYASRSNLSVLMIEQGAPGGQMNNTAEIENYPGFDSIMGPDLAYKMYESVSRFGTENAYGIVQDIKDHGSHKEVICEDKSYEGKTVIIATGCIHRKLGVPGEEEFAGRGVSYCAVCDGAFFRNKRLVVIGGGDSAVEEAIYLTQFASEVVIVHRRDELRAQKIIQDRAFANEKISFMWDTVVDEIVGNEMVVTGVKARNVKTGNEFDLAADGVFIYVGLDPLTAPFREAGLTNEAGWIPTDNEMKTNMPGVFAIGDVREKDLRQITTAVGDGGIAGQQVYKYLESLEETTA 5MJK Chain:A ((25-325)) -YDVVIIGSGPAGMTAAMYTARSEMKTLLLERGVPGGQMNNTAEIENYPGYETIMGPELSMKMAEPLEGLGVENAYGFVTGIEDHGDYKKIITEDDEFITKSIIIATGANHRKLEIPGEEEYGARGVSYCAVCDGAFFRNQEILVIGGGDSAVEEALYLTRFGQSVTIMHRRDKLRAQEIIQQRAFKEEKINFIWDSVPMEIKGDDKKIQSVVYKNVKTGEVTEKAFGGIFIYVGLDPVAEFVSDLGITDEAGWIITDDHMRTNIPGIFAVGDVRQKDFRQITTAVGDGAQAAQEAYKFVVE------

General information: TITO was launched using: RESULT: Template: 5MJK.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 : 1790 -211870 -118.36 -703.89 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -118.36 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_5MJK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MJK-query.scw PDB file : Tito_Scwrl_5MJK.pdb: