Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGERMELIEKAPAKINLGLDVLYRRQDGYHELEMVMSSVNLADHLFFEEITEDKI-IVETNKAFLPVDERNNVYQAALLLKNKYNIKTGVKIFVKKNIPVAAGLGGGSTDCAAALRGINQLWNLGCSLEELAEIGLEVGTDVPYCVYGSTAFVGGKGEEIQVLPSMPQCWVVLVKPRMSVSTRTVFREVDTQAIQHQDIHGLAE------AIREQDYQQMIKKMGNSLEDITGKRHPVIHQIKERMIKYGADAALMSGSGPTVFALCQHYSRAQRVYNGLKGFCEEVYLVRTLQ 4EMD Chain:A ((21-292)) ---------RAPGKVNLYLAVGDLRDDGYHELTTVFHAVSLADDVTVRDADVLSIDVVGQGEGTVPTDERNLAWQAAELFADHVGRAPDVSIFINKDIPVAGGMAGGSADAAAVLVAMNELWHAGVPRRDLHHLAAQLGSDVPFALHGGTALGTGRGEQLATVLARNVFHWVFAFADGGLATPQVFKEID-RLRENGDPPRLAEADELLGALAAGDARRLAPLLGNELQAAAVSLNPELRRTLRAGESAGALAGIVSGSGPTCAFLCTSADDAVQVSAELAG------------

General information: TITO was launched using: RESULT: Template: 4EMD.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 : 1522 -42477 -27.91 -160.29 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -27.91 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.450

(partial model without unconserved sides chains): PDB file : Tito_4EMD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4EMD-query.scw PDB file : Tito_Scwrl_4EMD.pdb: