Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKSIEKFPKELVSPIAQLHSLVEKNSKLHIKELFAAEQDRFQNYSVKFDQ-LVFDYSKHRITKSVLEQLFALAKTKQLTHWIERLFSQDKVNCTEQRAAMHWALRLPSEYSKF---PELTKQVHTQLQRMYVLVEKIHAGQYRGATGEVIQDVVNIGVGGSDLGPQMVTHALCDFKVKTAKPLNVHFVSTMDGSQLSDLLHQLRPETTLFIISSKSFGTIDTLSNAQTVRQWLEKALGKHDRVVKSHFIGVSTKAEKMTEWGIAPENQLLLWDWVGGRYSLWSCIGFPIALTIGIDGFQQLLAGAHAVDEHFQNTNFEQNIPVLMALLGIWNNNFLNIQTHAVLPYDGRLKYFAAYLQQLEMESNGKSVQRDGQKVELDTCPIVWGEVGPNAQHAFYQLLHQGTQAVSCDFIAPIQRYNADHFTYVENAEALIEQHHLAL-SNCLAQSRLLAFGNEA-----------LDSAELKNLPIYKQYEGNQPSSTLLLKELNPYSLGMLIALYEHKVFVQSVIWNINPFDQWGVEKGKQIADQLLPILNGAQNDLSALDASTRGLIKILLGKVDG 3HJB Chain:D ((45-567)) -----------------------ESAQDMDLKALFAQDSERFAKYSARFGQDILVDYSKNLVNAETMQHLFALAKETDLQSAITAMFKGEAINQTEDRAVLHTALRNRSNSPVLVNGEDVMPAVNAVLAKMKAFSERVIGGEWKGFTGKAITDVVNIGIGGSDLGPYMVTEALVPYK----NHLTVHFVSNVDGTHMAETLKNVDPETTLFLVASKTFTTQETMTNAHTARDWFLKAAGDEAHVAK-HFAALSTNGKAVAEFGIDTDNMFEFWDWVGGRYSLWSAIGLSIILSIGYDNFVELLAGAHEMDQHFVNTPFESNIPVILALIGIWYNNFHGAESEAILPYDQYLHRFAAYFQQGNMESNGKYVDRNGNPVTYQTGPIIWGEPGTNGQHAFYQLIHQGTKLIPCDFIAPAVSHN------------LVGDHHQKLMSNFFAQTEALAFGKSAQAVQAELEKAGKSAAEIAALVPFKVFEGNRPTNSILVKQITPRTLGNLIAMYEHKIFVQGVIWNIFSFDQWGVELGKQLANQILPELADSA-AVTSHDSSTNGLIN--------

General information: TITO was launched using: RESULT: Template: 3HJB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2668 -97582 -36.57 -192.47 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain D : 0.82 3D Compatibility (PKB) : -36.57 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.506

(partial model without unconserved sides chains): PDB file : Tito_3HJB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HJB-query.scw PDB file : Tito_Scwrl_3HJB.pdb: