Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFFQIQYKSSTRDGGNNVNGLFITIEGPDGAGKTSILNELYPLLKEVAKTEIIQTREPGGIPIAEEIRAVILDPKNDRMDERTEALLYAAARRQHLVEKVLPALAKGKIVLCDRFVDSSLAYQGAGRRIGVTEIARLNEFATEGTTPDFTLYLDVDSDTGLRRIKKNRQNQIDRLDSEGLEFHQRVRHAYLKLAEENPERIHKVDARKSFEEVLQTSYHTIIEQYPQFFEN 3HJN Chain:B ((1-181)) --------------------MFITFEGIDGSGKSTQIQLLAQYLEKRGK-KVILKREPGGTETGEKIRKILLE---EEVTPKAELFLFLASR-NLLVTEIKQYLSEGYAVLLDRYTDSSVAYQGFGRNLGKEIVEELNDFATDGLIPDLTFYIDVDVETALK-----R----NRFEKR--EFLERVREGYLVLAREHPERIVVLDGKRSIEEI------------------

General information: TITO was launched using: RESULT: Template: 3HJN.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 : 871 -61660 -70.79 -348.36 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -70.79 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_3HJN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HJN-query.scw PDB file : Tito_Scwrl_3HJN.pdb: