Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIEMKDIHKTFGK-NQVLSGVSFQLMPGEVHALMGENGAGKSTLMNILTGLHKADKGQISINGNETYFSNPKEAEQHGIAFIHQELNIWPEMTVLENLFIGKEI----S-SKLGVLQTRKMKALAKEQFDKLSVSLSLDQEAGECSVGQQQMIEIAKALMTNAEVIIMDEPTAALTEREISKLFEVITALKKNGVSIVYISHRMEEIFAICDRITIMRDGKTVDTTNISETDFDEV--VKKMVGR--ELTERYPK--------RTPSLGDKVFEVKNAS---VKGSFEDVSFYVRSGEIVGVSGLMGAGRTEMMRALFGVDRLDTGEIWIAGKKTAIKNPQEAVKKGLGFITENRKDEGLLLDTSIRENIALPNLSSFSPKGLIDHKREAEFVDLLIKRLTIKTASPETHARHLSGGNQQKVVIAKWIGIGPKVLILDEPTRGVDVGAKREIYTLMNELTE-RGVAIIMVSSELPEILGMSDRIIVVHEGRISGEIHAREATQERIMTLATGGR 3OZX Chain:A ((4-465)) ------EVIHRYKVNGFKLFGLPT-PKNNTILGVLGKNGVGKTTVLKILAGEIIPNFGDPNSKVGKDEV--LKRFRGKEIYNYFKELY-SNELKIVHKIQYVEYASKFLKGTVNEILTKIDERGKKDEVKELLNMTNLWNKDANILSGGGLQRLLVAASLLREADVYIFDQPSSYLDVRERMNMAKAIRELLK-NKYVIVVDHDLIVLDYLTDLIHIIYGES-SVYGRVSKSYAARVGINNFLKGYLPAENMKIRPDEIKFMLK-----LKTKMKWTKIIKKLGDFQLVVDNGEAKEGEIIGILGPNGIGKTTFARILVGEITADEGSVTPEKQ-------------ILSYKPQRI---FPNYDGTVQQYLENASKDAL--------STSSWFFEEVTKRLNLH-RLLESNVNDLSGGELQKLYIAATLAKEADLYVLDQPSSYLDVEERYIVAKAIKRVTRERKAVTFIIDHDLSIHDYIADRIIVFKGEPEK---------------------

General information: TITO was launched using: RESULT: Template: 3OZX.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 : 2254 87115 38.65 202.59 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 38.65 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.376

(partial model without unconserved sides chains): PDB file : Tito_3OZX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OZX-query.scw PDB file : Tito_Scwrl_3OZX.pdb: