Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAVIVDAKRTIFGNQNGLLKPFLPEDLAAPIIRCLSRK--LE-DQVDEVILGNATGRG--GNLARLSALQAGLPLSVPGMTIDRQCGSGLEAVRYACSLIQAGAGTMYIAGGSESSSQSPFSER-ARF--------SPDA--------IGDPDMGIAAEYTAARYSISRSMQDEYALLSHQRSRNAHDEGFYREEVVALGELE-------TDEAFLK-TRPIEAIIPRAKPVFDTSSGTVTAANSSGIADGAAALLVMEEEKAAALGLKPVLRFIGSAVSGIHPNFPPAAPVVAIRQLLHTHDVTPDDIDLFEINEAFAVKICVCSQELGIPFSKINVRGGALALGHPYGASGAALVTRLFYEAKRRPDCQYAVAAIGSGGGIGLALLFEVLA 3SS6 Chain:A ((5-393)) HNVVITAAVRSPIGTFGGALKNVTPVELAVPVLQEAVKRGGVEPHEVDEVILGHCIQRTDEANTARTAALAAGFPDTVTGYTIQRQCSSGMQAIMSAAMQIQLGVSEVVVAGGVEAMSSSPYALKQHRWGQRLQHGEIRDTVWEVLEDPIHHIMMGETAENLVEQYEITREEQDEVALRSHTLALKAIESGYFDDQIVPITIKERRKEVVFSKDEHPRADITAE-KLAGLKPAFRK-DGSVTAGNASGLNDGSAVLVLMSEEKAKEKGLQPLARIVGYSVAGVDPKIMGIGPAPAIRKGLEKVDWSLEDADLLEINEAFAAQYLAVEKELDLDREKVNVNGSGVGLGHPIGCTGARITVSLIHELKRRG-LEKGIASLCVGGGIGVALFIEA--

General information: TITO was launched using: RESULT: Template: 3SS6.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 : 2479 -214923 -86.70 -598.67 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -86.70 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.480

(partial model without unconserved sides chains): PDB file : Tito_3SS6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SS6-query.scw PDB file : Tito_Scwrl_3SS6.pdb: