Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESKVVENRLKEAKLIAVIRSKDKQEACQQIESLLDKGIRAVEVTYTTPGASDIIE--SFRNREDILIGAGTVISAQQAGEAAKAGAQFIVSPGFSADLAEHLSFVKTHYIPGVLTPSEIMEALTFGFTTLKLFPSGVFGIPFMKNLAGPFPQVTFIPTGGIHPSEVPDWLRAGAGAVGVGSQLGSCSKEDLQAVFQV 1WA3 Chain:D ((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 D - contact count / total energy / energy per contact / energy per residue : 958 -40622 -42.40 -229.50 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain D : 0.81 3D Compatibility (PKB) : -42.40 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.635

(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: