Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESKVVENRLKEAKLIAVIRSKDKQEACQQIESLLDKGIRAVEVTYTTPGASDIIE--SFRNREDILIGAGTVISAQQAGEAAKAGAQFIVSPGFSADLAEHLSFVKTHYIPGVLTPSEIMEALTFGFTTLKLFPSGVFGIPFMKNLAGPFPQVTFIPTGGIHPSEVPDWLRAGAGAVGVGSQLGSCSKEDLQAVFQV 1WA3 Chain:F ((3-181)) -----MEELFKKHKIVAVLRANSVEEAKEKALAVFEGGVHLIEITFTVPDADTVIKELSFLKEKGAIIGAGTVTSVEQCRKAVESGAEFIVSPHLDEEISQFCKEKGVFYMPGVMTPTELVKAMKLGHTILKLFPGEVVGPQFVKAMKGPFPNVKFVPTGGVNLDNVCEWFKAGVLAVGVGSAL--------------

General information: TITO was launched using: RESULT: Template: 1WA3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 941 -37473 -39.82 -211.71 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain F : 0.81 3D Compatibility (PKB) : -39.82 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.609

(partial model without unconserved sides chains): PDB file : Tito_1WA3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WA3-query.scw PDB file : Tito_Scwrl_1WA3.pdb: