Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNLKSSHSTAFTPSSPAERYAEALASGQFMADEAQAQAVQELDRVWKELLNRYKASKKAFRRFRRQTSPKGVYMWGSVGRGKTWLMDQFYES--VPFRRKTRMHFHHFMQHVHKELNKLSGQRNPLDIVADQIYKDAVVICFDEFFV--SNVTDAMILSDLFQKLF----VRGVTLIATSNIAPDGLYKNGIHRDRFIPTIEM----VKKNCVVLNVDAGVDYRLRVLKQAQLFKSPLGNEAQSWISECYTALTHTQTNSHEPI-------VINNRVVETLGHTEDVLWCEFSELCLKPRSPADFIEIANIYNTVLVSNVPHLTDFLSEGTRRFIYLVDEFYDRGVKLLLTSQDSIIDIYQGEKLAFE---------IERTRSRLLEMQSDEYLHSEHRHIDATKTS------------------------------------ 2CE7 Chain:A ((5-457)) YKPSGNKRVTFKDVGGAEEAIEELKEVVEFLKDPSKFNRI-------------------------GARMPKGILLVGPPGTGKTLLARAVAGEANVPFFHISGSDF--------VELFVGVGAARVRDLFAQAKAHAPCIVFIDEIDAVGRHDEREQTLNQLLVEMDGFDSKEGIIVMAATN-RPDILDPALLRPGRFDKKIVVDPPDMLGRKKILEIHTRNKPLAEDVNLEIIAKRTPGFVGADLENLVNEAALLAAREGRDKITMKDFEEAIDRVILISPAEKRIIAYHEAGHAVVSTVVPNG----EPVHRISIIKYLVSRNELLDKLTALLGGRAAEEVVFGDVTSGAANDIERATEIARNMVCQLGMSEELGPLAWGKLRNYSEEVASKIDEEVKKIVTNCYERAKEIIRKYRKQLDNIVEILLEKETIEGDELRRILS

General information: TITO was launched using: RESULT: Template: 2CE7.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1589 12967 8.16 37.91 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 8.16 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.149

(partial model without unconserved sides chains): PDB file : Tito_2CE7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CE7-query.scw PDB file : Tito_Scwrl_2CE7.pdb: