Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQHPDQLKLEEEPYLKGTVNTVIYHNDTNLYTVLKVKVTETSEAIEDKAVSVTGYFPALQEEETYTFYGKIVTHPKFGLQFQAEHFKKEIPTTKEGIIQYLSSDLFEGIGKKTAEEIVKKLGDSAINKILADASVLYDVPRLSKKKADTLAGALQRHQGLEQIMISLNQFGFGPQLSMKIYQAYESETLEKIQENPYQLVKDVEGIGFGKADELGSRMGLSGNHPERVKAAILYTLETTCLSEGHTYIETEQLIIDTQSLLNQSAREGQRITEMDAANAIIALGENKDI-------V---IEDGRCYFPSLFYAEQNVAKRVKHIASQTEYENQFPESEFLLALGELEERMDVQYAPSQKEAIQKALSSPMLLLTGGPGTGKTTVIRGIVELYGELHGVSLDPSAYKKDEAFPIVLAAPTGRAAKRMSESTGLPAVTIHRLLGWNGAEGFTHTEDQPIEGKLLIIDEASMLDIWLANHLFKAIPDHIQIIIVGDEDQLPSVGPGQVLRDLLASQVIPTVRLTDIYRQAEGSSIVELAHQMKNGLLPNNLTAPTKDRSFIRCGGSQIKEVVEKVVANALKKGYTAKDIQVLAPMYRGKAGINELNVMLQDILNPPKEKRRELKFGDVVYRTGDKILQLVNQPENNVFNGDIGEITSIFYAKENTEKEDMAVVSFDGNEMTFTKKDFNQFTHAYCCSIHKSQGSEFPIVVLPVVKGYYRMLRRNLLYTAITRAKKFLILCGEEEALEWGVKNNDATVRQTSLKNRLSVQVEEMDAELEALQKELPFSVHDANIGMEGITPFDFMKEEQQ 3E1S Chain:A ((193-716)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FTL-TEVEGIGFLTADKLW-------DDPRRLTAAAVYALQLAGTQAGHSFLPRSRAEKGVVHYTRVT--------PGQARLAVETAVELGRLSEDDSPLFAAATGEGRIYLPHVLRAEKKLASLIRTLLATPPA----D-AGNDDWAV--PKKARKGLSEEQASVLDQLAGHRLVVLTGGPGTGKSTTTKAVADLAESLG--------------LEVGLCAPTGKAARRLGEVTGRTASTVHRLLGYGPQ-GFRHNHLEPAPYDLLIVDEVSMMGDALMLSLLAAVPPGARVLLVGDTDQLPPVDAGLPLLALAQA--APTIKLTQVYRQAAKNPIIQAAHGLLHGEAPAWG-DKRLNLTEIEP--DGGARRVALMVRELG----GPGAVQVLTPMRKGPLGMDHLNYHLQALFNPGEG---GVRIAEGEARPGDTVVQTKNDYNNEIFNGTLGMVLKAEGAR--------LTVDFDGNVVELTGAELFNLQLGYALTVHRAQGSEWGTVLGVLHEAHMPMLSRNLVYTALTRARDRFFSAGSASAWQIAAARQR-EARNTALLERIRAHL---------------------------------------

General information: TITO was launched using: RESULT: Template: 3E1S.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 : 2854 5315 1.86 10.57 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 1.86 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_3E1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3E1S-query.scw PDB file : Tito_Scwrl_3E1S.pdb: