Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTIFEALKWASSYLTEAGREENAAELLLLYDTGMERSKLLASLQEPIGEDELYRFKRHVEMHK-EGVPVQYIIGKEFFYGREFMVNDDVLIPRPETEEVVFHLLEKYRSVFSEDGKLEVVDVGTGSGAIAVTLALENQSFSVSAVDISKEALQVASANAEKLGA-NVRFYQGDLLEPFIKAGKKADIIVSNPPYISEEEMADLSEIVRFHEPLHALTDGGDGLKFYKRFMEDIPLVMKDKVFVVFEIGWKQGAAVKDLILKAFKGAEVEVLKDINGKDRTICALIHKNK 2B3T Chain:A ((1-275)) -MEYQHWLREAISQLQASESPRRDAEILLEHVTGRGRTFILAFGETQLTDEQCQQLDALL-TRRRDGEPIAHLTGVREFWSLPLFVSPATLIPRPDTECLVEQALARLP-----EQPCRILDLGTGTGAIALALASERPDCEIIAVDRMPDAVSLAQRNAQHLAIKNIHILQSDWFSALA--GQQFAMIVSNPPYIDEQDPHLQQGD-VRFEPLTALVAADSGMADIVHIIEQSRNALVSGGFLLLEHGWQQGEAVRQAFI-LAGYHDVETCRDYGDNERVTLGRY----

General information: TITO was launched using: RESULT: Template: 2B3T.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 : 1442 -32322 -22.41 -118.40 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -22.41 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_2B3T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B3T-query.scw PDB file : Tito_Scwrl_2B3T.pdb: