Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTENFWRELPRPFFVLAPMEDVTDVVFRHVVSEAGRPDVFFTEFTNSESYCHPDGKDSVRGRLTFTEDEQPIVAHIWGDKPENFRKMSIGMAELGFKGLDINMGCPVPNVAGNGKGSGLICRPAVAAELIQA-AKAGGLPVSVKTRLGYTDVDEWR---EWLTHILKQDIANLSIHLRTRAEMSKVDAHWELIPE----IKKLRDEVAPDTLLTINGDIPDRQTGLKLAEQYGVDGIMIGRGIFTNPFAFEKE-------PKEHSSKELLDLLRLHLDLHDEYSKEEARPYKPLPRFFKIYLRGFRGASELRNQCMNTKSTDEVRALLDDFERKYLDGIE 3B0U Chain:X ((4-263)) -----------PRLSVAPMVDRTDRHFRFLVRQVSLGVRLYTEMTVDQAVLRGNRERL----LAFRPEEHPIALQLAGSDPKSLAEAARIGEAFGYDEINLNLGCPSEKAQEGGYGACLLLDLARVREILKAMGEAVRVPVTVKMRLGLEGKETYRGLAQSVEAMAEAGVKVFVVHARSALLALSTKANREIPPLRHDWVHRLKGDF-PQLTFVTNGGIRSLEEALFHLKR--VDGVMLGRAVYEDPFVLEEADRRVFGLPRRPSRLEVARRMRAYLE--------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3B0U.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1305 -123838 -94.89 -505.46 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain X : 0.70 3D Compatibility (PKB) : -94.89 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.487

(partial model without unconserved sides chains): PDB file : Tito_3B0U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B0U-query.scw PDB file : Tito_Scwrl_3B0U.pdb: