Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKRYSFLFSSLLAVGLLQGCGDDSSSDQPKDDSNTTPPNLIVDNDPTSCSKLAQDGSSVVVGSNQNGDPAAPEGASGYRLGNTVKYADKYMVVANTPLAVKAGCDVLKAGGSAVDAAVAVQAVLGLVEPQSSTIAGSGFMMYYDAKTKQVTAYDGRETAPAAANEFYLIRQNIYDPNSPPPVPNARRSGRSIGVPGVMRLLEQAQKEHGKLEWKQLFGEAIGLADNGFRIPGRLADAIASNASNLALD------ADAMRIYFHSDGSPRKVGETMTNKEYADTLKAIVSEGANALHNGRIAQAIVSEAGRTEGDDPAKTPITPSLMTLQDLSNYQVKKRDPICTTYRDRYYVCTMPPPSSGGIAVAQTLGILENFDMSLYPPKNPENEGGVLDVMGVHLVSEAERLAYADRDKYVADTDFVRLLAQGIPSFIDKNYLKQRAALINPNQSMGVAPAGNFNTAAGVDTTVEHGTTQFTIVDAYGNVVSMTSTVESSMGSFHMV--DGFLLSNQLTDFSANPYDSTGAPVANRVEGGKRPRSTMAPTLVFKGTTPDEFYMATGSPGGGTIIQYVVKTLVGALDWNLNAQQATSLVNFGATNSKNTNIDSSNVQLSLVDLIEGLKAKGHGISNT---AQTSGISTIMKVNINNQSKYAGGVDPRREGIVLGNGAL 2NLZ Chain:A ((12-539)) ------------------------------------------------------------------------------YPSRRNVVYAKNGMVATSQPLAAQAGLDILKAGGNAIDAAIATATALTVLEPTSNGIGSDAFALVWTKG--KLHGLNGSGRAPMSLTMEAVKAKGY----E-Q--ELPPYGVIPVTVPGAPGAWAELAKMYGNLPLAASLAPAIRYAEEGYPVTPTLAKYWKAAYDRVKTEWTDDVYQPW-FDTFAPKGRAPRVGEVWRSQGHADTLRSIAESNGESFYRGELADQIHAFFDKHG-----------GYLTKEDLACYRPEWVEPISIDYRG-YRVWEIPPNGQGLV-ALEALNIVKGFEFYH--KDTVDT---------YHKQIEAMKLAFVDGMKYVTEPSDMSVSVEQL---LSDEYATERRKEIGEQALTPE-----------PGTP----TVYLATADGDGNMVSFIQSNYMGFGSGVVVPGTGIAMQNRGHNFSLDPN------HDNALKPGKRTYHTIIPGFLTKNDQP---IGPFGVMGGFMQPQGHMQVMMNTIDFGLNPQAALDAPRWQWTNGKQVQVE---PTF-PVDIAQALVRRGHKIQVVLDEGAFGRGQIIWRD--PTTGVLAGGTEPRTDGQVAAW---

General information: TITO was launched using: RESULT: Template: 2NLZ.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 : 3378 -30130 -8.92 -58.73 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -8.92 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_2NLZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NLZ-query.scw PDB file : Tito_Scwrl_2NLZ.pdb: