Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSILSVKDLSHGFGDRAIFNNVSF-RLLKGEHVGLIGANGEGKSTFMNIITGKLEPDEGKVEWSK----------NVRVGYLDQHTVLEKGKSIRDVLKDAFHYLFAMEEEMNEIYNKMGEADPDELEKLLEEVGVIQDALTNNDFYVIDSKVEEIARGLGLSDIGLERDVTDLSGGQRTKVLLAKLLLEKPEILLLDEPTNYLDEQHIEWLKRYLQEY--ENAFILISHDIPFLNSVINLIYHVENQELTRYVGDYHQFMEVYEVKKQQLEAAYKKQQQEVAELKDFVARNKARVSTRNMAM-SRQKKLDKMDMIELAAEKPKPEFHFKPARTSGKLIFETKDLVIGYDSPLSRPLNLRMERGQKIALYGANGIGKTTLLKSLLGEIQPLEGSVERGEHIYTGYFEQEVKETNNNTCIEEVWSEFP---SYTQYEIRAALAKCGLTTKHIESRVSVLSGGEKAKVRLCKLINSETNLLVLDEPTNHLDADAKEELKRALKEY----KGSILLISHEPDFYMDIATETWNCESWTTKVL 3OZX Chain:A ((4-463)) -------EVIHRYK-VNGFKLFGLPTPKNNTILGVLGKNGVGKTTVLKILAGEIIPNFGDPNSKVGKDEVLKRFRGKEIYNYFKELY-SNELKIVHKIQYVEYA-SKFL------------------K------GTVNEIL---TKIDERGKKDEVKELLNMTN-LWNKDANILSGGGLQRLLVAASLLREADVYIFDQPSSYLDVRERMNMAKAIRELLKNKYVIVVDHDLIVLDYLTDLIHIIYGE-SSVY-GRVSKSYAARVG---------------I---NNFLKGYLPA-ENMKIRPDEIKFMLK------------------------LKTKMKWTKIIKKLGDFQLVVDNGEAKEGEIIGILGPNGIGKTTFARILVGEITADEGSVTPE-KQILSYKPQRIFPNYDGTVQQYLENASKDALSTSSWFFEEVTKRLNLH-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 : 2307 -202759 -87.89 -472.63 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -87.89 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.334

(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: