Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLIRNPFKDKYYSHDRRALNMLALRVPGLAFILMIYIASIVLQFVSGGWSILLLYAFTILIAIFALLHWHSYRWVKKRVILYFAVQGLITFALANLMTGFFILVIIGLYAFLIGQIIGMADRRRTFLILYLLLLLVINSAYHLHKGEVLHFIVIAAPIMIVIITYAATFFAQVDEKIKAQLTLERLELAHQQVEQLTLQNERQRMARDLHDTLAQGLVSLNMQLDAIHVHLAKGNTERAKEIIQQSMKRVKSTIADARSAIDDLR--SKSEEIGVLKERITSLMDHFIE---STGMACLLDYRLHQVLDVRTAENCYYIIGECMTNAAKHAEAKTIWISIWDDEKGRLHLTVKDNGKGFDVEKGK----------KKRGHYGLLGIQERVRAINGQFNIKSTKLKGTQIEITVPIQGEMQDE 4BIX Chain:A ((78-297)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TSQQRLLSDISHELRTPLTRLQLGTALLRRRSG---ESKELERIETEAQRLDSMINDLLVMSRNQQKNALVSETIKANQLWSEVLDNAAFEAEQMGKSLTVNFPPGPWPLYGNPNALESALENIVRNALRYSHT-KIEVGFAVDK-DGITITVDDDGPGVSPEDREQIFRPFYRTD--GTGLGLAIVETAIQQHRGWVKAEDSPLGGLRLVIWLPLYKR----

General information: TITO was launched using: RESULT: Template: 4BIX.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 : 776 -81975 -105.64 -416.11 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -105.64 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.396

(partial model without unconserved sides chains): PDB file : Tito_4BIX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BIX-query.scw PDB file : Tito_Scwrl_4BIX.pdb: