Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTERALQVTNLHKKIRKREIIKGISFEVMPGEVFGFLGPNGAGKTTTIRMIVGLIKPTSGTILIGGKDI---RKNFTEAMRGLGSIVENPEFYTFLTGQENLAY---FARMDSSIKKERIQEVTELVGLEKRINDRVSTYSLGMRQRLGIAQALLSNPKLLILDEPTNGLDPSGIHEMRDFIRALARNEGISVLVSSHLLSEIELLCDRVAIMTDGTIIKTDQVAHLLSSRAQLRWRVTPIEQAKAFLESVTEVEVDGEYLVTAMNEESAEWNEQLVAKGIKVHEIDKRKPSLEDLFLELTGGQSID 3FVQ Chain:B ((4-233)) ----ALHIGHLSKSFQNTPVLNDISLSLDPGEILFIIGASGCGKTTLLRCLAGFEQPDSGEISLSGKTIFSKNTNLPVRERRLGYLVQEGVLFPHLTVYRNIAYGLGNGKGRTAQERQRIEAMLELTGISELAGRYPHELSGGQQQRAALARALAPDPELILLDEPFSALDEQLRRQIREDMIAALRANGKSAVFVSHDREEALQYADRIAVMKQGRILQTASPHELYRQPADL-------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3FVQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -125111 for 1760 contacts (-71.1/contact) + 2D Compatibility (PS) -24449 + (NN) -5144 + (LL) 6388 1D Compatibility (HY) -10800 + (ID) 3600 Total energy: -162716.0 ( -92.45 by residue) QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_3FVQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FVQ-query.scw PDB file : Tito_Scwrl_3FVQ.pdb: