Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQHPDQLKLEEEPYLKGTVNTVIYHNDTNLYTVLKVKVTETSEAIEDKAVSVTGYFPALQEEETYTFYGKIVTHPKFGLQFQAEHFKKEIPTTKEGIIQYLSSDLFEGIGKKTAEEIVKKLGDSAINKILADASVLYDVPRLSKKKADTLAGALQRHQGLEQIMISLNQFGFGPQLSMKIYQAYESETLEKIQENPYQLVKDVEGIGFGKADELGSRMGLSGNHPERVKAAILYTLETTCLSEGHTYI---ETEQLIIDTQSLLNQSAR-------EGQRITEMDAANAIIALGENKDIVIEDGRCYFPSLFYAEQNVAKRVKHIASQTEYENQFPESEFLLALGELEERMDVQYAPSQKEAIQKALSSPMLLLTGGPGTGKTTVIRGIVELYGELHGVSLDPSAYKKDEAFPIVLAAPTGRAAKRMSESTGLPAVTIHRLLGWNGAEGFTHTEDQPIEGKLLIIDEASMLDIWLANHLFKAIPDHIQIIIVGDEDQLPSVGPGQVLRDLLASQVIPTVRLTDIYRQAEGSSIVELAHQMKNGLLPN------NLTAPTKDRSFIRCGGSQIKEVVEKVVANALKKGYTAKDIQVLAPMYRGKAGINELNVMLQDILNPPKEKRRELKFGDVVYRTGDKILQLVNQPENNVFNGDIGEITSIFYAKENTEKEDMAVVSFDGNEMTFTKKDFNQFTHAYCCSIHKSQGSEFPIVVLPVVKGYYRMLRRNLLYTAITRAKKFLILCGEEEALEWGVKNNDATVRQTSLKNRLSVQVEEMDAELEALQKELPFSVHDANIGMEGITPFDFMKEEQQ 3E1S Chain:A ((193-717)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FTLT-EVEGIGFLTADKLW-------DDPRRLTAAAVYALQLAGTQAGHSFLPRSRAEKGVVHYTRVTPGQARLAVETAVELGRLSEDDSP-----LFA---AATGEGRIYLPHVLRAEKKLASLIRTLLATPPAD-AGNDDW------AVPKKARKGLSEEQASVLDQLAGHRLVVLTGGPGTGKSTTTKAVADLAESL--------------GLEVGLCAPTGKAARRLGEVTGRTASTVHRLLGY-GPQGFRHNHLEPAPYDLLIVDEVSMMGDALMLSLLAAVPPGARVLLVGDTDQLPPVDAGLPLLALAQAAP--TIKLTQVYRQAAKNPIIQAAHGLLHGEAPAWGDKRLNLTEIEPD------GGA-------RRVALMVRELGGPGAVQVLTPMRKGPLGMDHLNYHLQALFNPGEGG---VRIAEGEARPGDTVVQTKNDYNNEIFNGTLGMVLKAEGAR--------LTVDFDGNVVELTGAELFNLQLGYALTVHRAQGSEWGTVLGVLHEAHMPMLSRNLVYTALTRARDRFFSAGSASA--WQI----AAARQREARN--TALLERIRAHLE-------------------------------

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 : 2801 3605 1.29 7.24 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 1.29 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.450

(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: