Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEIVTLTNVSYEVK-DQTVFKHVNASVQQGDIIGIIGKNGAGKSTLLHLIHNDLAPAQGQI-LR----------KDIKLALVEQETA---AY------------------SFADQT----PAE-KKLLEKWH---VPLRDFHQLSGGEKLKARLAKGLSEDADLLLLDEPTNHLDEKSLQFLIQQLKHY--NGTVILVSHDRYFLDEAATKIWSLEDQTLIEFKGNYSGYMKFREKKRLTQQREYEKQQKMVERIEAQMNGLASWSEKAHAQSTKKEGFKEYHRVKAKRTDAQIKSKQKRLEKELEKAKAEPVTPEYTVRFSIDTTHKTGKRFLEVQNVTKAFGERTLFKNANFTIQHGEKVAIIGPNGSGKTTLLNIILGQE-TAEGSVWVSPSANIGYLTQEVFDLPLEQTPEELFENETF----KARGHVQNLMRHLGFTAAQWTEPIKHMSMGERVKIKLMAYILEEKDVLILDEPTNHLDLPSREQLEETLSQY----SGTLLAVSHDRYFLEKTTNSKLVISNNGIEKQLNDVPSERNEREELRLKLETERQEVLGKLSFMTPNDKGYKELDQAFNELTKRIKELDHQDKKD 3OZX Chain:A ((4-463)) --------EVIHRYKVNGFKLFGLPT-PKNNTILGVLGKNGVGKTTVLKILAGEIIPNFGDPNSKVGKDEVLKRFRGKEIYNYFKELYSNELKIVHKIQYVEYASKFLKGTVNEILTKIDERGKKDEVKELLNMTNLWNKDANILSGGGLQRLLVAASLLREADVYIFDQPSSYLDVRERMNMAKAIRELLKNKYVIVVDHDLIVLDYLTDLIHIIY-GESSVY-GRVSKSYAARVG---------------I---NNFLKGYLPAE------NMK-------------IRPDEIK---FMLK---------------------------LKTKMKWTKIIKKLGD-FQLVVDNGEAKEGEIIGILGPNGIGKTTFARILVGEITADEGSVTPE-KQILSYKPQRIF-PNYDGTVQQYLENASKDALSTSSWFFEEVTKRLNLH-RLLESNVNDLSGGELQKLYIAATLAKEADLYVLDQPSSYLDVEERYIVAKAIKRVTRERKAVTFIIDHDLSIHDYIADRIIVFKGEP-------------------------------------------------------------------

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 : 2113 -184059 -87.11 -462.46 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -87.11 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.424

(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: