Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQPPPDVEGDDCLPAYRHLFCPDLLRDKVAFITGGGSGIGFRIAEIFMRHGCHTVIASRSLPRVLTAARKLAGATGRRCLPLSMDVRAPPAVMAAVDQALKEFGRIDILINCAAGNFLCPAGALSFNAFKTVMDIDTSGTFNVSRVLYEKFFR-DHGGVIVNITATLGNRGQALQVHAGSAKAAVDAMTRHLAVEWGPQNIRVNSLAPGPISGTEGLRRLGGPQASLSTKVTAS-PLQRLGNKTEIAHSVLYLASPLASYVTGAVLVADGGAWLTFPNGVKGLPDFASFSAKL 1W6U Chain:A ((13-269)) --------------PLQKAMLPPNSFQGKVAFITGGGTGLGKGMTTLLSSLGAQCVIASRKMDVLKATAEQISSQTGNKVHAIQCDVRDPDMVQNTVSELIKVAGHPNIVINNAAGNFISPTERLSPNAWKTITDIVLNGTAFVTLEIGKQLIKAQKGAAFLSITTIYAETGSGFVVPSASAKAGVEAMSKSLAAEWGKYGMRFNVIQPGPIKT------L-DPTGTFEKEMIGRIPCGRLGTVEELANLAAFLCSDYASWINGAVIKFDGG----------------------

General information: TITO was launched using: RESULT: Template: 1W6U.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 : 1337 -118114 -88.34 -474.35 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -88.34 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_1W6U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1w6u-query.scw PDB file : Tito_Scwrl_1W6U.pdb: