Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRTTIDEAIARV-DDWKG---KEISYKPVSGGITNPNFKVDVEG----EHFFLKIPGAGTDYINREVCHEANMIADESKAGPRVYYYFEDTGVEIFQWLDGYRQVTFGDVYDKDIFQSIFERIRDFHHLETKPLNL------KQSIFEQAWDMNARAKKGGY---------ISPFNDKMEYLLSAIE------------KAL-AGSEELCPCHNDFWTNNLMYNEETNDLKIIDYEYASMNDPYVDLGLISAVNYFT------------------EDMDVEMMKIYGGGKVD----------ERAFARMKLNKIACDIKWAYWALYQAASSNVEFDYMNWYGQKMARLQHFWLDSRLDYWLDVAREKSTRIS 3MES Chain:B ((52-408)) ---EIIIGICRKNIPGWKEINESYIEVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV-FYDSKVELDVFRYLSNINIAPNIIADFPE--GRIEEFIDG-EPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQ--NNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA-----SVEFDFTEYANTRFTHYLQKKKE------------------

General information: TITO was launched using: RESULT: Template: 3MES.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1053 11542 10.96 41.67 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : 10.96 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.340

(partial model without unconserved sides chains): PDB file : Tito_3MES.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3mes-query.scw PDB file : Tito_Scwrl_3MES.pdb: