Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLKSYILVGYIISTLLTILVVFWAVQKMLIAKGEIYFLLGMTIVASLVGAGISLFLLLPVFTSLGKLKEHAKRVAAKDFPSNLEVQGPVEFQQLGQTFNEMSHDLQVSFDSLEESEREKGLMIAQLSHDIKTPITSIQATVEGILDGIIKESEQAHYLATIGRQTERLNKLVEELNFLTLNTARNQVETTSKDSIFLDKLLIECMSEFQFLIEQERRDVHLQVIPESARIEGDYAKLSRILVNLVDNAFKYSAPGTKLEVVAKLEKDQLSISVTDEGQGIAPEDLENIFKRLYRVETSRNMKTGGHGLGLAIARELAHQLGGEITVSSQYGLGSTFTLVLNLSGSENKA 4BIX Chain:B ((64-296)) ------------------------------------------------------------------------------------------------ASFNQVVTALER-------MMTSQQRLLSDISHELRTPLTRLQLGTALLRRRSGE----SKELERIETEAQRLDSMINDLLVMSRNQQK---NALVSETIKANQLWSEVLDNAAFEAEQMGKSLTVNFPPGPWPLYGNPNALESALENIVRNALRYSHTK--IEVGFAVDKDGITITVDDDGPGVSPEDREQIFRPFYRTD--------GTGLGLAIVETAIQQHRGWVKAEDSPLGGLRLVIWLPLYK-----

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 B - contact count / total energy / energy per contact / energy per residue : 863 -91306 -105.80 -405.80 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -105.80 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.417

(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: