Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQPKFNLPRHCVMSKVVLEAKDIYKHFDDGKSKVEVIKGLSLQVEAGQFVSIVGASGSGKSTLLHVLGGLDQPTKGQVFLNGQRFDNLGEAERGFQRNQYLGFVYQF-HHLLPEFTALENVAMPLMLRADNQYKSVKAQAEYLLDRVGLSHRMDHKPGELSGGERQRVALARALVTKPAVVLADEPTGNLDRKTAVGIFELLTDLKKELNMAMLIVTHDEQLAQAADSILHMEDGLWVNGS 4HLU Chain:D ((26-215)) -----------------------------------VLKDVNAEFETGKIYVVVGKNGSGKTTLLKILAGL-LAAAGEIFLDGSPADP-------FLLRKNVGYVFQNPSSQIIGATVEEDVAFSLEIMGLDE-SEMRKRIKKVLELVGLSGLAAADPLNLSGGQKQRLAIASMLARDTRFLALDEPVSMLDPPSQREIFQVLESLKNE-GKGIILVTHELEYLDDMDFILHISNG------

General information: TITO was launched using: RESULT: Template: 4HLU.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 : 900 -57075 -63.42 -301.98 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain D : 0.73 3D Compatibility (PKB) : -63.42 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.469

(partial model without unconserved sides chains): PDB file : Tito_4HLU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HLU-query.scw PDB file : Tito_Scwrl_4HLU.pdb: