Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSILSVKDLSHGFGDRAIFNNVSFRLLKGEHVGLIGANGEGKSTFMNIITGKLEPDEGKVEWSKNVRVGYLDQHTVLEKGKSIRDVLKDAFHYLFAMEEEMNEIYNKMGEADPDELEKLLEEVGVIQDALTNNDFYVIDSKVEEIARGLGLSDIGLERDVTDLSGGQRTKVLLAKLLLEKPEILLLDEPTNYLDEQHIEWLKRYLQEY-ENAF-ILISHDIPFLNSVINLIYHV--ENQELTRYVGDYHQFMEVYEVKKQQLEAAYKKQQQEVAELKDFVARNKARVSTRNMAMSRQKKLDKMDMIELAAEKPKPEFHFKPARTSGKLIFETKDLVIGYDSPLSRPLNLRMERGQKIALYGANGIGKTTLLKSLLGEIQPLEGSVERGEHIYTGYFEQEVKETNNNTC---IEEVWSEFPSYTQYEIRAALAKCGLTTKHIESRVSVLSGGEKAKVRLCKLINSETNLLVLDEPTNHLDADAK----EELKRALKEYKGSILLISHEPDFYMDIATETWNCESWTTKVL 3OZX Chain:A ((28-453)) -------------------------------LGVLGKNGVGKTTVLKILAGEIIPNFG----DPNSKVGK-DEVLKRFRGKEIYNYFKELYSNELKIVHKIQYV---------EYASKFLK--GTVNEILTKIDE---RGKKDEVKELLNMTNL-WNKDANILSGGGLQRLLVAASLLREADVYIFDQPSSYLDVRERMNMAKAIRELLKNKYVIVVDHDLIVLDYLTDLIHIIYGESSVYGRVSKSYAARVGINNFLKGYLPAENMKIRPD--EIKFML-----------------K--------------------LKTKMKWTKIIKKLGDFQLVVD-------NGEAKEGEIIGILGPNGIGKTTFARILVGEITADEGSVTPEKQILS-YKPQRIFPNYDGTVQQYLENASKDALSTSSWFFEEVTKRLNLH-RLLESNVNDLSGGELQKLYIAATLAKEADLYVLDQPSSYLDVEERYIVAKAIKRVTRERKAVTFIIDHDLSIHDYIA--------------

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 : 2007 -162174 -80.80 -400.43 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -80.80 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.335

(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: