Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTDPQFPTPNNLGIAVYSNNAETIGNTPLVRINRLIKTGATVLAKVESRNPAFSVKCRIGAALIADAEKRGVLKEGMHIVEPTSGNTGIALAFVAVAKGYSITLTMPASMSLERRKVLKALGANLVLTEPAKGMKGAVDEAVRLATEQPEIYFLPQQFENPANPQIHVDTTGPEIWQATGGQVDILVAGVGTGGTITGISRYFEQVQNKPLYSVAVEPAESPIITQTKNGENITPAPHKIQGIGANFIPKNLDLDLVDEVIPVSSEEAIQWARNCAAQEGILVGISSGAALAAAAKIAERPENAGKTIVVILPDSGERYLSSVLFEGLFDE 4NU8 Chain:X ((7-317)) --------------MAIYADNSYSIGNTPLVRLKHFGHNG-NVVVKIEGRNPSYSVKCRIGANMVWQAEKDGTLTKGKEIVDATSGNTGIALAYVAAARGYKITLTMPETMSLERKRLLCGLGVNLVLTEGAKGMKGAIAKAEEIVASDPSRYVMLKQFENPANPQIHRETTGPEIWKDTDGKVDVVVAGVGTGGSITGISRAIKLDFGKQITSVAVEPVESPVISQTLAGEEVKPGPHKIQGIGAGFIPKNLDLSIIDRVETVDSDTALATARRLMAEEGILAGISSGAAVAAADRLAKLPEFADKLIVVILPSASERYLSTALF------

General information: TITO was launched using: RESULT: Template: 4NU8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1952 -169729 -86.95 -545.75 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain X : 0.87 3D Compatibility (PKB) : -86.95 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_4NU8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NU8-query.scw PDB file : Tito_Scwrl_4NU8.pdb: