Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTIKTSNLGFPR-IGLNREWKKALEAYWKGSTDKDTFLKQIDELFLSAVKTQ-IDQQIDVVPVSDFTQYDHVLDTAV-SFNWIPKRFRHLTD--ATDTYFA-IARGIKDAVSSE-M-TKWFNTNYHYIVPEYDESIEFRLTRNKQLEDYRRIKQEYGVETKPVIVGPYTFVTLAK----GYEPSEAKAIQKRLVPLYVQLLKELEEEGVKWVQIDEPALV-TASSEDVRGAKELFESITSELSSLNVLLQTYFDSVDAYEELISYPVQGI-GLDFVHDKGRNLEQLKTHGFPTDKVLAAGVIDGRNIWKADLEERLDAVLDILSIAKVDELWIQPSSSLLHVPVAKHPDEHLEKDLLNGL-SYAKEKLAELTALKEGLVSGKAAISEEIQQAKADIQALKQFATGANSEQKKELEQLTDKDFKRPIPFEERLALQNESLGLPLLPTTTIGSFPQSAEVRSARQKWRKAEWSDEQYQNFINAETKRWIDIQEELELDVLVHGEFERTDM-VEYFGEKLAGFAFTKYAWVQSYGSRCVRPPVIYGDVEFIEP-MTVKDTVYAQS-LTS-KHVK-GM-LTGPVTILNWSFPRNDISRKEIAFQIGLALRKEVKALEDAGIQIIQVDEPALREGLPLKTRDWDEYLTWAAEAFRLTTSSVKNETQIHTH-MCYSNFEDIVDTIN-DLDADVITIEHSRSHGGFLDYLK-NHPYLKGLGLGVYDIHSPRVPSTEEMYNIIVD-ALAVCPTDRFWVNPDCGLKTRQQEETVAALKN-MVEAAKQARAQQTQLV 1U1H Chain:A ((2-760)) ----ASHIVGYPRMGP-KRELKFALESFWDGKSTAEDLQKVSADLRSSIWK-QMSAAGTKFIPSNTFAHYDQVLDTTAMLGA-VPPRYGYTGGEIGLDVYFSMARGNAS---VPAMEMTKWFDTNYHYIVPELGPEVNFSYASHKAVNEYKEAKAL-GVDTVPVLVGPVSYLLLSKAAKGVDKSFELLSLLPKILPIYKEVITELKAAGATWIQLDEPVLVMDLEGQKLQAFTGAYAELESTLSGLNVLVETYFADIPAEAYKTLTSLKGVTAFGFDLVRGTKTLDLVKAGFPEGKYLFAGVVDGRNIWANDFAASLSTLQALEGIVGKDKLVVSTSCSLLHTAVDLINETKLDDEIKS-WMAFAAQKVVEVNALAKALAGQKDEALFSANAAALASRRSSPRVT--NEGVQKAAAALKGSDHRRATNVSARLDAQQKKLNLPILPTTTIGSFPQTVELR-------------EDYVKAIKEEIKKVVDLQEELDIDVLVHGEPER-NDMVEYFGEQLSGFAFTANGWVQSYGSRCVKPPVIYGDVSRPKAMTVFWS-----AMAQSMTSRPMKGMLTGPVTILNWSFVRNDQPRHETCYQIALAIKDEVEDLEKGGIGVIQIDEAALREGLPLRKSEHAFYLDWAVHSFRITNCGVQDSTQIHTHMCYSHFNDIIHSIIDMDAD--VITIENSRSDEKLLSVFREGVKYGAGIGPGVYDIHSPRIPSSEEIADRVNKMLAVL-EQNILWVNPDCGLKTRKYTEVKPALKNMVDAAKLIRSQ------

General information: TITO was launched using: RESULT: Template: 1U1H.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 : 4018 -222277 -55.32 -308.72 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -55.32 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.435

(partial model without unconserved sides chains): PDB file : Tito_1U1H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1U1H-query.scw PDB file : Tito_Scwrl_1U1H.pdb: