Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFFQIQYKSSTRDGGNNVNGLFITIEGPDGAGKTSILNELYPLLKEVAKTEIIQTREPGGIPIAEEIRAVILDPKNDRMDERTEALLYAAARRQHLVEKVLPALAKGKIVLCDRFVDSSLAYQGAGRRIGVTEIARLNEFATEGTTPDFTLYLDVDSDTGLRRIKKNRQNQIDRLDSEGLEFHQRVRHAYLKLAEENPERIHKVDARKSFEEVLQTSYHTIIEQYPQFFEN 4GMD Chain:D ((5-196)) ------------------TGLFVTLEGPEGAGKSTNRDYLAERLRERG-IEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPV--------------LDRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEV------------------

General information: TITO was launched using: RESULT: Template: 4GMD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 789 -56777 -71.96 -315.43 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : -71.96 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.499

(partial model without unconserved sides chains): PDB file : Tito_4GMD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GMD-query.scw PDB file : Tito_Scwrl_4GMD.pdb: