Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFFQIQYKSSTRDGGNNVNGLFITIEGPDGAGKTSILNELYPLLKEVAKTEIIQTREPGGIPIAEEIRAVILDPKNDRMDERTEALLYAAARRQHLVEKVLPALAKGKIVLCDRFVDSSLAYQGAGRRIGVTEIARLNEFATEGTTPDFTLYLDVDSDTGLRRIK-KNRQNQIDRLDSEGLEFHQRVRHAYLKLAEENPERIHKVDARKSFEEVLQTSYHTIIEQYPQFFEN 5XB2 Chain:A ((1-183)) --------------------MLIAFEGIDGSGKTTQAKKLYEYLKQKGYF-VSLYREPGGTKVGEVLREILL---TEELDERTELLLFEASRSKLIEEKIIPDLKRDKVVILDRFVLSTIAYQGYGKGLDVEFIKNLNEFATRGVKPDITLLLDIPVDIALRRLKEKNR--------FENKEFLEKVRKGFLELAKEE-ENVVVIDASGEEEEVFK----------------

General information: TITO was launched using: RESULT: Template: 5XB2.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 : 876 -40318 -46.03 -221.53 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -46.03 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_5XB2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5XB2-query.scw PDB file : Tito_Scwrl_5XB2.pdb: