Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTKPLSILQPGTGLFNTHVTLEDVNKAIKEQMSTESELT-AESKMEVIGEGNGFSSCVILITCHWTIPSSHLPKKLILKIVSFVHVQGLLNKSNEEGNSVMSPEEEAHVHAHFEKSCQKGHNLEVEFCEAFGHLEGLLLPKVFFSQKFEEDNPNKGFVGMEFVEGSVVRHCYENVTVDELQPILKALARLQALSLSTESCRNLDNG-EAFEESLMDMLSEDGLKGIFDQSRNIDQKLSEKVERIEQNHKEILNLET--------VLNL---NKVVGIDQKVICHGDLWAANILWTQTDGGFIADKVLDYQESHMGNPAEDLVRLLVSTISGAD---------------RQSHWEHILEQFYTYFTDEIGSNNAPYTLEQLKTSFKLYFPVGALTLISLFGPAVDMKLQGMESGKAENYRRIVIEKVDCLLDDVLNFHDFNKKFTGKN 3MES Chain:B ((50-350)) --------------------DTEIIIGICRKNIPGWKEINESYIEVKQIFS--GLTNQLFVVSIVNE----LKHPRILFRIYGKHV--F-------------------------Y-----DSKVELDVFRYLSNI-NIA-PNIIADFP--------EGRIEEFIDGEPLTTKQ-LQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWRE--EAKIQVSKNN-QI--DKELYSKILEEIDQLEE-LIMGGEKFSMERALELKLYSPA-FSLVFAHNDLQENNLLQTQ-----NNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTL----------------------------------------------------------------------------------

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 : 956 -33702 -35.25 -131.13 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -35.25 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.248

(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: