Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVTKILKAPDGSPSDVERIKKESDYLRGTL---KEVMLDRISAGIP-----DDD-NRLMKHHGSYLQDDRDLRNERQKQKLEPAYQFMLRVRMPGGVSTPEQWLVMDDLSQKYG-NGTLKLTTRETFQMHGILKWNMKKTIQTIHSALLDTIAACGDVNRNVMCASNPYQSEI-HSEVYEWSKKLSDDLLPRTRAYHEIWLDEERVAGTPEEEVEPMYGPLYLPRKFKIGIAVPPSNDIDVFSQDLGFIAIVEDGKLIGFNVAIGGGMGMTHGDTATYPQLAKVI-GFCRPEQMYDVAEKTITIQRDYGNRSVRKNARFKYTVDRLGLENVKEELENRLGWSL-EEAKP--Y--HFDHNGDRYGWVEG-IEDKWHFTLFVEGGRITDYDDYKLMTGLREIAKVHT-GEFRLTANQNLMIANVSSDKKEEISALIEQ-YGLTDGKHYSALRRSSMACVALPTCGLAMAEAERYLPTLLDKIEEIIDENGLRDQEITIRMTGCPNGCARHALGEIGFIGKAP--------GKYNMYLGAAFDG-SRLSKMYRENIGEADILSELRIL-LSRYAKEREEGEHFGDFVIRAGIIKATTDGTNFHD 2AKJ Chain:A ((88-602)) ----------SGINPAEKVKIEKDPMKLFIEDGISDLATLSMEEVDKSKHNKDDIDVRLKWLGLFHRRKH------------HYGRFMMRLKLPNGVTTSEQTRYLASVIKKYGKDGCADVTTRQNWQIRGVVLPDVPEIIKGLESVGLTSLQSGMDNVRNPVGNPLAGIDPHEIVDTRPFTNLISQFVTANS---------------------RGNLSITNLPRKWNPCVIGSHDLYEHPHINDLAYMPATKN-GKFGFNLLVGGFFSIKR------CEEAIPLDAWVSAEDVVPVCKAMLEAFRDLGFRGNRQKCRMMWLIDELGMEAFRGEVEKRMPEQVLERASSEELVQKDWERREYLGVHPQKQQGLSFVGLHIPVGRLQA----DEMEELARIADVYGSGELRLTVEQNIIIPNVENSKIDSLLNEPLLKERYSP--EPPILMKGLVACTGSQFCGQAIIETKARALKVTEEVQRLVS----VTRPVRMHWTGCPNSCGQVQVADIGFMGCMTRDENGKPCEGADVFVGGRIGSDSHLGDIYKKAVPCKDLVPVVAEILINQFGAVPR--------------------------

General information: TITO was launched using: RESULT: Template: 2AKJ.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 : 2949 54195 18.38 111.74 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 18.38 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.366

(partial model without unconserved sides chains): PDB file : Tito_2AKJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AKJ-query.scw PDB file : Tito_Scwrl_2AKJ.pdb: