Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTDPQFPTPNNLGIAVYSNNAETIGNTPLVRINRLIKTGATVLAKVESRNPAFSVKCRIGAALIADAEKRGVLKEGMHIVEPTSGNTGIALAFVAVAKGYSITLTMPASMSLERRKVLKALGANLVLTEPAKGMKGAVDEAVRLATEQPEIYFLPQQFENPANPQIHVDTTGPEIWQATGGQVDILVAGVGTGGTITGISRYFEQVQNKPLYSVAVEPAESPIITQTKNGENITPAPHKIQGIGANFIPKNLDLDLVDEVIPVSSEEAIQWARNCAAQEGILVGISSGAALAAAAKIAERPENAGKTIVVILPDSGERYLSSVLFEGLFDE 3IQI Chain:X ((2-311)) ---------------AIYADNSYSIGNTPLVRLKHFGHNG-NVVVKIEGRNPSYSVKCRIGANMVWQAEKDGTLTKGKEIVDATSGNTGIALAYVAAARGYKITLTMPETMSLERKRLLCGLGVNLVLTEGAKGMKGAIAKAEEIVASDPSRYVMLKQFENPANPQIHRETTGPEIWKDTDGKVDVVVAGVGTGGSITGISRAIKLDFGKQITSVAVEPVESPVISQTLAGEEVKPGPHKIQGIGAGFIPKNLDLSIIDRVETVDSDTALATARRLMAEEGILAGISSGAAVAAADRLAKLPEFADKLIVVILPSASERYLSTALF------

General information: TITO was launched using: RESULT: Template: 3IQI.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 : 1937 -174205 -89.94 -561.95 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain X : 0.87 3D Compatibility (PKB) : -89.94 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.579

(partial model without unconserved sides chains): PDB file : Tito_3IQI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IQI-query.scw PDB file : Tito_Scwrl_3IQI.pdb: