Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTDPQFPTPNNLGIAVYSNNAETIGNTPLVRINRLIKTGATVLAKVESRNPAFSVKCRIGAALIADAEKRGVLKEGMHIVEPTSGNTGIALAFVAVAKGYSITLTMPASMSLERRKVLKALGANLVLTEPAKGMKGAVDEAVRLATEQPEIYFLPQQFENPANPQIHVDTTGPEIWQATGGQVDILVAGVGTGGTITGISRYFEQVQNKPLYSVAVEPAESPIITQTKNGENITPAPHKIQGIGANFIPKNLDLDLVDEVIPVSSEEAIQWARNCAAQEGILVGISSGAALAAAAKIAERPENAGKTIVVILPDSGERYLSSVLFEGLFDE 4LI3 Chain:X ((1-311)) --------------MAIYADNSYSIGNTPLVRLKHFGHNG-NVVVKIEGRNPSYSVKCRIGANMVWQAEKDGTLTKGKEIVDATSGNTGIALAYVAAARGYKITLTMPETMSLERKRLLCGLGVNLVLTEGAKGMKGAIAKAEEIVASDPSRYVMLKQFENPANPQIHRETTGPEIWKDTDGKVDVVVAGVGTGGSITGISRAIKLDFGKQITSVAVEPVESPVISQTLAGEEVKPGPHKIQGIGAGFIPKNLDLSIIDRVETVDSDTALATARRLMAEEGILAGISSGAAVAAADRLAKLPEFADKLIVVILPSASERYLSTALF------

General information: TITO was launched using: RESULT: Template: 4LI3.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 : 1941 -160197 -82.53 -515.10 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain X : 0.87 3D Compatibility (PKB) : -82.53 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.550

(partial model without unconserved sides chains): PDB file : Tito_4LI3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LI3-query.scw PDB file : Tito_Scwrl_4LI3.pdb: