Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANEQKTAAKDVFQARKTFTTNGKTYHYYSLKALEDSGIGKVSKLPYSIKVLLESVLRQVDGFVIKKEHVENLAKWGTAELKDIDVPFKPSRVILQDFTGVPAVVDLASLRKAMAAVGGDPDKINPEIPVDLVIDHSVQVDKAGTEDALAVNMDLEFERNAERYKFLSWAKKAFNNYQAVPPATGIVHQVNLEFLASVVHAIEEDGELVTYPDTL-VGTDSHTTMINGIGVLGWGVGGIEAEAGMLGQPSYFPVPEVIGAKLVGKLPNGTTATDLALKVTQVLREKGVVGKFVEFFGPGIAELPLADRATIANMAPEYGATCGFFPVDEEALNYLRLTGRDPEHIDVVEAYCRSNGLFYTPDAEDPQFTDVVEIDLSQIEANLSGPKRPQDLIPLSAMQETFKKQLVSPAGNQGFGLNAEEENKEIKFKLLNGEETVMKTGAIAIAAITSCTNTSNPYVLIG-AGLVAKKAVELGLKVPNYVKTSLAPGSKVVTGYLVNSGLLPYMKELGFNLVGYGCTTCIGNSGPLSPEIEEAVAKNDLLITSVLSGNRNFEGR--IHPLVKGNYLASPPLVVAYALAGTVNINLKTDPIGVGKDGQNVYFNDIWPSMDEINALVKQTVTPELFRKEYETVFDDNKRWNEIETTDEALYKWDNDSTYIQNPPFFEEMSVEPGKVEPLKGLRVVGKFGDSVTTDHISPAGAIGKDTPAGKYLQEKGVSPRDFNSYGSRRGNHEVMMRGTFANIRIKNQIAPGTEGGFTTYWPTGEVTSIYDACMKYKEDKTGLVVLAGKDYGMGSSRDWAAKGTNLLGIRTVIAESFERIHRSNLVFMGVLPLQFKQGENADTLGLTGKEVIEVDVDETVRPRDLVTVRAINEDGNVTTFEAVVRFDSEVEIDYYRHGGILQMVLREKMKQS 7ACN Chain:A ((64-682)) ---------------------------------------------------------------------------------------LRPDRVAMQDATAQMAMLQFISSGLPKVAV-----------PSTIHCDHLIEAQLGGEKD-LRRAKDI----NQEVYNFLATAGAKYG-VGFWRPGSGIIHQIILENYA--------------YPGVLLIGTDSHTPNGGGLGGICIGVGGADAVDVMAGIPWELKCPKVIGVKLTGSLSGWTSPKDVILKVAGILTVKGGTGAIVEYHGPGVDSISCTGMATICNMGAEIGATTSVFPYNHRMKKYLSKTGR-ADIANLADEF--KDHLVPDPGC---HYDQVIEINLSELKPHINGPFTPDLAHPVA--------EVGSVAEKEGWPLD------------------------IRVGLIGSCTNSS--YEDMGRSAAVAKQALAHGLKCKS--QFTITPGSEQIRATIERDGYAQVLRDVGGIVLANACGPCIG-------QWDRKDIKKGEKNTIVTSYNRNFTGRNDANPETHA-FVTSPEIVTALAIAGTLKFNPETDFL-TGKDGKK--FKLEAPDADE------------LPRAE----FDPGQDTYQHPPKDSSGQRVDVSPTS-QRLQLLEPFDKWDGK--DLEDLQILIKVKGKCTTDHISAAGP---------WLKFRGHLDNISNNL-------------LIGAINIENRKANSVRNAVTQ-----EFGPVPDTARYYKQHGIRWVVIGDENYGEGSSREHSALEPRHLGGRAIITKSFARIHETNLKKQGLLPLTF-----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 7ACN.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 : 4095 42317 10.33 68.81 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 10.33 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_7ACN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-7ACN-query.scw PDB file : Tito_Scwrl_7ACN.pdb: