Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFFQIQYKSSTRDGGNNVNGLFITIEGPDGAGKTSILNELYPLLKEVAKTEIIQTREPGGIPIAEEIRAVILDPKNDRMDERTEALLYAAARRQHLVEKVLPALAKGKIVLCDRFVDSSLAYQGAGRRIGVTEIARLNEFATEGTTPDFTLYLDVDSDTGLRRIKKNRQNQIDRLDSEGLEFHQRVRHAYLKLAEENPERIHKVDARKSFEEVLQTSYHTIIEQYPQFFEN 4EDH Chain:A ((5-196)) ------------------TGLFVTLEGPEGAGKSTNRDYLAERLRERG-IEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIGLARAAA--RGRLDRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEV------------------

General information: TITO was launched using: RESULT: Template: 4EDH.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 : 887 -57029 -64.29 -297.03 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -64.29 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.511

(partial model without unconserved sides chains): PDB file : Tito_4EDH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4EDH-query.scw PDB file : Tito_Scwrl_4EDH.pdb: