Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKYSNINSFNALQTLTVGSSNYQIFSLTQAEKKLGDIAKLPKSLKVLLENLLRFEDQHSVKTEHIYALAEWLKTRTSDQEIQYRPARVLMQDFTGVPAVVDLAAMRAAMAQAGGDPEKINPLSPVDLVIDHSVMVDHFADDQAFEENVQIEMQRNGERYQFLRWGQSAFNNFSVVPPGTGICHQVNLEYLAQAVWLGEDNGQTFAFPDTLVGTDSHTTMINGLGVLGWGVGGIEAEAAMLGQPISMLIPEVIGFKLTGKLQEGITATDLVLTITQMLRQKGVVGKFVEFYGDGLADLPLADRATIANMAPEYGATCGFFPIDEVTLGYLKLTGRQSDRIALVEAYSKAQGLWRNAGD---EPVFTDTLSLDMSTVQASLAGPKRPQDRVLLSEVPKTFNALMELTLKPAKEAKERLENEGGGGTAVEATKANIQHESPSCVIEGQEYPLNHGDVVISAITSCTNTSNPSVMLAAGLLAKKAIEKGLQRKPWVKSSLAPGSKVVTDYLLAAGLTPYLDELGYNLVGYGCTTCIGNSGPLPEPIEDAIQCHDLNVASVLSGNRNFEGRVHPLVKTNWLASPPLVVAYGLVGNIRTDLTTQPIGQGKDGQPVYLKDIWPSQAEIDAV-LQKVNTDMFHKEYAAVFDGDESWQAIQIPKSKTYEWADDSTYIRHPPFFEGIGEPPKPIKNIEQARILAVLGDSVTTDHISPAGNIKKDSLAGRYLQEQGVEPKDFNSYGSRRGNHEVMMRGTFANIRIKNEMLGGEEGGNTIHVPSGEKLAIYDAAMRYQHEHTPLVIIAGKEYGTGSSRDWAAKGTNLLGVKAVIAESFERIHRSNLVGMGVLPLQFVDGQTRQSLNLTGHEVISIRGLSDGIQPHEILEVDVKGPNGVASHFNVLCRIDTLNEVEYFKAGGILHYVLRNLIAS 2B3X Chain:A ((19-886)) -----------------------KFFNLNKLEDS--RYGRLPFSIRVLLEAAIRNCDEFLVKKQDIENILHWNVTQHKNIEVPFKPARVILQDFTGVPAVVDFAAMRDAVKKLGGDPEKINPVCPADLVIDHSIQVDFNRRADSLQKNQDLEFERNRERFEFLKWGSQAFHNMRIIPPGSGIIHQVNLEYLARVVF--DQDG--YYYPDSLVGTDSHTTMIDGLGILGWGVGGIEAEAVMLGQPISMVLPQVIGYRLMGKPHPLVTSTDIVLTITKHLRQVGVVGKFVEFFGPGVAQLSIADRATIANMCPEYGATAAFFPVDEVSITYLVQTGRDEEKLKYIKKYLQAVGMFRDFNDPSQDPDFTQVVELDLKTVVPCCSGPKRPQDKVAVSDMKKDFESCLG-------------AKQGFKGFQVAPEHHN---DHKTFIYDNTEFTLAHGSVVIAAITSCTNTSNPSVMLGAGLLAKKAVDAGLNVMPYIKTSLSPGSGVVTYYLQESGVMPYLSQLGFDVVGYGCMTCIGNSGPLPEPVVEAITQGDLVAVGVLSGNRNFEGRVHPNTRANYLASPPLVIAYAIAGTIRIDFEKEPLGVNAKGQQVFLKDIWPTRDEIQAVERQYVIPGMFKEVYQKIETVNESWNALATPSDKLFFWNSKSTYIKSPPFFENLTLDLQPPKSIVDAYVLLNLGDSVTTDHISPAGNIARNSPAARYLTNRGLTPREFNSYGSRRGNDAVMARGTFANIRLLNRFL-NKQAPQTIHLPSGEILDVFDAAERYQQAGLPLIVLAGKEYGAGSSRDWAAKGPFLLGIKAVLAESYERIHRSNLVGMGVIPLEYLPGENADALGLTGQERYTII-IPENLKPQ--MKVQVKLDTG--KTFQAVMRFDTDVELTYFLNGGILNYMIRKM---

General information: TITO was launched using: RESULT: Template: 2B3X.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 : 5631 -158760 -28.19 -183.75 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -28.19 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_2B3X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B3X-query.scw PDB file : Tito_Scwrl_2B3X.pdb: