Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSILEVKNLSHGFGDRAIFEDVSFRLLKGEHIGLVGANGEGKSTFMSIVTGKMLPDEGKVEWSKYVTAGYLDQHSVLAERQSVRDV----LRTAFDELFKAEARI--NDLYMKMAEDGADVDALMEEVGELQDRLESRDFYTLDAKIDEVARALGVMDFGMDTDVTSLSGGQRTKVLLAKLLLEKPDILLLDEPTNYLDA-EHIDWLKRYLQNYENAFVL-ISHD---IPFLNDVINIVYHVENQQLTRYSGDYYQFQEVYAMKKSQLEAAYERQQKEIADLKDFVARNKARVATRNMAMSRQKKLDKMDIIELQSEKPKPSFDFKPARTPGRFIFQAKNLQIGYNRPLTKPLNLTFERNQKVAIIGANGIGKTTLLKSLLGIISPIAGEVERGDYLELGYFEQEV---EGGNRQTPLEAVWNAFPALNQAEVRAALARCGLTTKHIESQIQVLSGGEQAKVRFCLLMNRENNVLVLDEPTNHLDVDAK----DELKRALKEYRGSILMVCHEPDFYEGWIDQIWDFNNLT 3OZX Chain:A ((28-459)) -------------------------------LGVLGKNGVGKTTVLKILAGEIIPNFG-------------DPNSKVGKDEVLKRFRGKEIYNYFKELYSNELKIVHKIQYVEYASK-----FLKGTVNEILTKIDER------GKKDEVKELLNMTNL-WNKDANILSGGGLQRLLVAASLLREADVYIFDQPSSYLDVRERMNMAKAIRELLKNKYVIVVDHDLIVLDYLTDLIHIIYG--------ESSVYGRVSKSYAAR---------------VGINNFL---KGYLPAENMKI----RPDEIKFMLK----------LKTKMKWTKIIKKLGDFQLVVD-------NGEAKEGEIIGILGPNGIGKTTFARILVGEITADEGSVTPEKQI-LSYKPQRIFPNYDGTVQQYLENASKDALSTSSWFFEEVTKRLNL-HRLLESNVNDLSGGELQKLYIAATLAKEADLYVLDQPSSYLDVEERYIVAKAIKRVTRERKAVTFIIDHDLSIHDYIADRIIVF----

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 : 1976 32085 16.24 79.42 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 16.24 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.351

(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: