Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKYSNINSFNALQTLTVGSSNYQIFSLTQAEKKLGDIAKLPKSLKVLLENLLRFEDQHSVKTEHIYALAEWLKTRTSDQEIQYRPARVLMQDFTGVPAVVDLAAMRAAMAQAGGDPEKINPLSPVDLVIDHSVMVDHFADDQAFEENVQIEMQRNGERYQFLRWGQSAFNNFSVVPPGTGICHQVNLEYLAQAVWLGEDNGQTFAFPDTLVGTDSHTTMINGLGVLGWGVGGIEAEAAMLGQPISMLIPEVIGFKLTGKLQEGITATDLVLTITQMLRQKGVVGKFVEFYGDGLADLPLADRATIANMAPEYGATCGFFPIDEVTLGYLKLTGRQSDRIALVEAYSKAQGLWRNAGD---EPVFTDTLSLDMSTVQASLAGPKRPQDRVLLSEVPKTFNALMELTLKPAKEAKERLENEGGGGTAVEATKANIQHESPSCVIEGQEYPLNHGDVVISAITSCTNTSNPSVMLAAGLLAKKAIEKGLQRKPWVKSSLAPGSKVVTDYLLAAGLTPYLDELGYNLVGYGCTTCIGNSGPLPEPIEDAIQCHDLNVASVLSGNRNFEGRVHPLVKTNWLASPPLVVAYGLVGNIRTDLTTQPIGQGKDGQPVYLKDIWPSQAEIDAV-LQKVNTDMFHKEYAAVFDGDESWQAIQIPKSKTYEWADDSTYIRHPPFFEGIGEPPKPIKNIEQARILAVLGDSVTTDHISPAGNIKKDSLAGRYLQEQGVEPKDFNSYGSRRGNHEVMMRGTFANIRIKNEMLGGEEGGNTIHVPSGEKLAIYDAAMRYQHEHTPLVIIAGKEYGTGSSRDWAAKGTNLLGVKAVIAESFERIHRSNLVGMGVLPLQFVDGQTRQSLNLTGHEVISIRGLSDGIQPHEILEVDVKGPNGVASHFNVLCRIDTLNEVEYFKAGGILHYVLRNLIAS 3SNP Chain:A ((34-887)) ---------------------------------------RLPFSIRVLLEAAVRNCDKFLVKKEDIENILNWNVTQHMNIEVPFKPARVILQDFTGVPSVVDFAAMRDAVKKLGGDPEKINPICPVDLVIDHS------------------EFERNRERFEFLKWGSKAFRNMRIIPPGSGIIHQVNLEYLARVVF--DQDG--YYYPDSLVGTDSHTTMIDGLGVLGWGVGGIEAEAVMLGQPISMVLPQVIGYRLMGKPHPLVTSTDIVLTITKHLRQVGVVGKFVEFFGPGVAQLSIADRATIANMCPEYGATATFFPVDEVSIKYLVQTGRDESKVKQIRKYLQAVGMFRDYSDPSQDPDFTQVVELDLKTVVPCCSGPKRPQDKVAVSDMKKDFESCLG-------------AKQGFKGFQVAPDHHN---DHKTFIYNDSEFTLSHGSVVIAAITSSTNTSNPSVMLGAGLLAKKAVDAGLNVKPYVKTSLSPGSGVVTYYLRESGVMPYLSQLGFDVV------------PLPEPVVEAITQGDLVAVGVLSGNRNFEGRVHPNTRANYLASPPLVIAYAIAGTIRIDFEKEPLGTNAKGQQVFLRDIWPTREEIQAVERQYVIPGMFTEVYQKIETVNASW--------KLYLWNPKSTYIKSPPFFENLTLDLQPPKSIVDAYVLLNLGDSVTTDHISPAGNIARNSPAARYLTNRGLTPREFNSYGSRRGNDAIMARGTFANIRLLNRFL-NKQAPQTIHLPSGETLDVFDAAERYQQEGHPLIVLAGKEYGSGSSRDWAAKGPFLLGIKAVLAESYERIHRSNLVGMGVIPLEYLPGENADSLGLTGRERYTII-IPENLTPR--MHVQVKLDTG--KTFQAVIRFDTDVELTYFHNGGILNYMIRKM---

General information: TITO was launched using: RESULT: Template: 3SNP.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 : 4789 -153498 -32.05 -189.04 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -32.05 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_3SNP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SNP-query.scw PDB file : Tito_Scwrl_3SNP.pdb: