Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNQNVLLNISGVKFVLRIPNAVNLSLINREYEAFNNAQAYRAGLNVETPVLDAKSGVKLTRYLENSNTLSQIQLNEQSCLSQVVNNLYRLHNSEFVFRNVFSVFDEFRQYFSLLENKSAFYQADSRMDKLSAVFWQFEEINKEVILRPCHNDLVPENMLLQ-DDRLFFIDWEYSGLNDPLFDIATI-IEEAHLSKEAADFLLETYCNQTNKYHKTEFQIAHKRLKIHRFCQNVLWFLWTKVKEEHGENFGDYALKRLDAAFKLLEELP 4R77 Chain:B ((28-280)) MTNQNYLAKTTNKQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFDIEAGIKVNEYIESAITLDSTSI--KTKFDKIAPILQTIHTSAKELRGEFAPFEEIKKYESLIEEQIPYANYESVRNAVFSLEKRLADLG--VDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESEFTSQEEETFLSHYESDQT--------PVSHEKIAIYKILQDTIWSLWTVYKEEQGEDFGDYGVNRYQRAVKGL----

General information: TITO was launched using: RESULT: Template: 4R77.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1141 -46842 -41.05 -186.62 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -41.05 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_4R77.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r77-query.scw PDB file : Tito_Scwrl_4R77.pdb: