Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKYSNINSFNALQTLTVGSSNYQIFSLTQAEKKLGDIAKLPKSLKVLLENLLRFEDQHSVKTEHIYALAEWLKTRTSDQEIQYRPARVLMQDFTGVPAVVDLAAMRAAMAQAGGDPEKINPLSPVDLVIDHSVMVDHFADDQ-AFEENVQIEMQRNGERYQFLRWGQSAFNNFSVVPPGTGICHQVNLEYLAQAVWLGEDNGQTFAFPDTL-VGTDSHTTMINGLGVLGWGVGGIEAEAAMLGQPISMLIPEVIGFKLTGKLQEGITATDLVLTITQMLRQKGVVGKFVEFYGDGLADLPLADRATIANMAPEYGATCGFFPIDEVTLGYLKLTGRQSDRIALVEAYSKAQGLWRNAGDEPVFTDTLSLDMSTVQASLAGPKRPQDRVLLSEVPKTFNALMELTLKPAKEAKERLENEGGGGTAVEATKANIQHESPSCVIEGQEYPLNHGDVVISAITSCTNTSNPSVMLAAGLLAKKAIEKGLQRKPWVKSSLAPGSKVVTDYLLAAGLTPYLDELGYNLVGYGCTTCIGNSGPLPEPIEDAIQCHDLNVASVLSGNRNFEGRVHPLVKTN-WLASPPLVVAYGLVGNIRTDLTTQPIGQGKDGQPVYLKDIWPSQAEIDAVLQKVNTDMFHKEYAAVFDGDESWQAIQI-PKSKTYEWADDSTYIRHPPFFEGIGEPPKPIKNIEQARILAVLGDSVTTDHISPAGNIKKDSLAGRYLQEQGVEPKDFNSYGSRRGNHEVMMRGTFANIRIKNEMLGG-----EEGGNTIHVPSGEKLA-IYDAAMRYQHEHTPLVIIAGKEYGTGSSRDWAAKGTNLLGVKAVIAESFERIHRSNLVGMGVLPLQFVDGQTRQSLNLTGHEVISIRGLSDGIQPHEILEVDVKGPNGVASHFNVLCRIDTLNE--VEYFKAGGILHYVLRNLIAS 8ACN Chain:A ((62-746)) ---------------------------------------------------------------------------------LRLRPDRVAMQDATAQMAMLQFIS--------SGLPK---------VAVPSTIHCDHLIEAQLGGEKDLRRAKDINQEVYNFLATAGAKYG-VGFWRPGSGIIHQIILE--------------NYAYPGVLLIGTDSHTPNGGGLGGICIGVGGADAVDVMAGIPWELKCPKVIGVKLTGSLSGWTSPKDVILKVAGILTVKGGTGAIVEYHGPGVDSISCTGMATICNMGAEIGATTSVFPYNHRMKKYLSKTGR-ADIANLADEFK--DHLVPDSGCH--YDQLIEINLSELKPHINGPFTPD------------------LAHPVAEVGSVAEKEG--------------------------WPL---DIRVGLIGSCTNSSYEDMGRSAA-VAKQALAHGLKCKS--QFTITPGSEQIRATIERDGYAQVLRDVGGIVLANACGPCIGQWD------RKDIKKGEKNTI-VTSYNRNFTGRNDANPETHAFVTSPEIVTALAIAGTLKFNPETDFL-TGKDGKKFKLEA--PDADELPRAEFDPGQDTYQHP-----PKDSSGQRVDVSPTSQRLQLLE--------PFDKWDG------KDLEDLQILIKVKGKCTTDHISAAGPWLK-------------------------------FRGHLDN--ISNNLLIGAINSENRKANSVRNAVTQEFGPVPDTARYYKQHGIRWVVIGDENYGEGSSREHSALEPRFLGGRAIITKSFARIHETNLKKQGLLPLTFADPADYNKIHPV--DKLTIQGLKD-FAPGKPLTCIIKHPNGTQE---TILLNHTFNETQIEWFRAGSALN---------

General information: TITO was launched using: RESULT: Template: 8ACN.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 : 4474 88719 19.83 131.83 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 19.83 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.447

(partial model without unconserved sides chains): PDB file : Tito_8ACN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-8ACN-query.scw PDB file : Tito_Scwrl_8ACN.pdb: