Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLRIGSHVSMSGKHMLLAASQEAVSYGANTFMIYTGAPQNTRRKKIEDLNIEAGRAHMQENGID--EIIVHAPYIINIGNTTNPSTFELGVDFLRSEIERTAAIGAKQIVLHPGAHV-GAGAEAGIKKIIEGLNEVIDPNQNVQIALETMAGKGSECGRSFEELAQIIEGVTHNEQLSVCFDTCHTHDAGYNI--VEDFDGVLNEFDKIIGIDRIKVLHINDSKNVKGARKDRHENIGFGEIGFDALQYVVHHEQLKDIPKILETPYVGEDKKNKKPPYRFEIEMLKEKQFDDTLLEKILQQ 2NQJ Chain:B ((1-262)) MKYIGAHVSAAGG--LANAAIRAAEIDATAFALFTKNQRQWRAAPLTTQTIDEFKAACEKYHYTSAQILPHDSYLINLGHPVTEA-LEKSRDAFIDEMQRCEQLGLSLLNFHPGSHLMQISEEDCLARIAESINIALDKTQGVTAVIENTAGQGSNLGFKFEHLAAIIDGVEDKSRVGVCIDTCHAFAAGYDLRTPAECEKTFADFARTVGFKYLRGMHLNDAKSTFGSRVDRHHSLGEGNIGHDAFRWIMQDDRFDGIPLILQT-------------------------------------

General information: TITO was launched using: RESULT: Template: 2NQJ.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 : 1421 -10454 -7.36 -40.68 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -7.36 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.547

(partial model without unconserved sides chains): PDB file : Tito_2NQJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NQJ-query.scw PDB file : Tito_Scwrl_2NQJ.pdb: