Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEVEQQPTSAPSSPKKRRILRSFLLTILIILLLLVASIIIMMSTDRGSRFLLDRVLQAQQVIKYEYEGGNLLRGIILKNIIAQLKEVDVTLDRADVRLGWRSLILEKEVHLSNADIRNLVIINKAPPSDKPFEFKPIKLPFVLRVDVGDVDHLEIKNSGSVVNFHDVHLNDALWSETKLKFENSSMDMGYLSVHNATGNMDFSGKYPLNATADLRIPSLKSLNIQNIKVAAWGSLDTLQAGVATTTPDLLTGWVVLHPVRHEVPMQGALLLKNYHLPLLVEQKLFAKNGVIKFQGDIKQLNLALETDLKGENLPEGQYNALMNTDLVHQLNITDFNGQVMKGAVNLKGLVNWKDHVTWDIKGRLDHVNPKDKAIPQVVQDFLPPSLDAAVSSTGSLEKGTEVFANVDFDRYESWKLKLNQAPEKNKKPQPMFMNVAWANIDRAMPYIGWLSSGSGQVDLTLRDGQQDIKVSTKVYQHEQTLLPAGQYLATLNVKDNILNVPSFSFAAQKGSLTGQAKALLPSEKRQLAWNALLNAKDFNPQSIHTAAPVNLLNGSIKASGFAKPSQQIIQLEKIDLKGRLAQAGQEMVALAGKSTAALLFNDVKAGGGFKGFAVNYDGSLKALNQANGLLK-------------------FSIAGTP---EFIRISQLQHDGVAGKIYATGALNLK-DRIAWDINSSLVRFKPQYFASSVKGEISGNVKTQGIWSDKLKRIDIQQLNLAGYLNNKPVR--GKGNLSILMDSNQKGFLPQQFEANNLFLVYAQNQLQATGNAQNLKIKLNAPALYELYPGLSGRAYGDLSVQSQPRLKATANIAVDNFAFNTLVSIKKLRIQGELPTSETTPTQLTAKLDNLRSGSRQIQSAEVNLTGTRKAHLLKVQGNNNVSKFYVQLAGGFNAKNDWLGQIQKGSFDSRRIRLAQNQNAPVVFSSARSELYVGQHCWQSTNSQLCLDQPVRVSKAQGNISFVTQNLDLGDFAAFMPEGLAMTGQLNGYAKASWVNGGHPKLDARLVTRKGELGLAAEDPQDPPTTLAYDELSVIAKSISEGLLFRVDVKTPDIGTGYANVIINPYQSSMPMHGEVAFNDVQLKVLKPFIQDVRSMSGTLALAGKVNGTLTQPQFTGEMRLKNGAISMISLPVNLTNVQVYSSIRQDMATIDGAFNSGQGVGLLKGSFDWKNAPRLQLNLKGDNLLVRQAPLITAIANPNLTLDMYPFDKRLSLKGSVDVPRARISMPETTAPVVNTSSDVRIVRQGQDPLAILRAAKPWDIRADISVNIGNQVIFQGFNSNIPLVGRLNLTQRGYETAMRAMGAIGVSQKVKIEAYGQSLDLNRAIARFNGPLANPTLDIDANKNVQGSMVGVRVTGTASSPNIQVYNDAGLSEQEALNALVTGRINEGASGLSNAEGFKSDVNNTIAAAGISMGLGGTRALTNQIGRTFGLSGLALDAQGTGDDTQVSLTGYITPDLFIRYGVGVFTPVNKLTLRYQMNRRLYLEASQSLERAIDLFYNWRF 5CMN Chain:E ((3-260)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LCPGLLKGVYQSEHLFESDHQSGAWCKDPLQASDKIYYMPWTPYRTDTLTEYSSKDDFIAGRPTTTYKLPHRVDGTGFVVYDGALFFNKERTRNIVKFDLRTRIKS-----------GEAIIANANYHDTSPYRWGGKSDIDLAVDEN------------GLWVIYATEQNN------------GKIVISQLNP-YTLRIEGTWDTAYDKR-SASNAFMI----CGILYVVKSNKIDYIYNTDQSKDSLVDVPFPN---SYQYIAAVDYN----PRDNLLYVWNNYHVVKYSLDF----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5CMN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1237 33313 26.93 150.06 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain E : 0.53 3D Compatibility (PKB) : 26.93 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.241

(partial model without unconserved sides chains): PDB file : Tito_5CMN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CMN-query.scw PDB file : Tito_Scwrl_5CMN.pdb: