Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MLLLLFLNHHSIAKTNLFVNVFHTVCLPFLKMIRLADFLAVIPASLLY----------------------------------------------------------------------------------------------------------------------------------------- 2Q06 Chain:A ((22-496)) ATEIRASVGRMVGGIGRFYIQMCTELKLSDQEGRLIQNSITIERMVLSAFDERRNRYKDPKKTGGPIYRRRDGKWVRELILYDKEEIRRIWRQANNGEDATAGLTHMMIWHSNLNDATYQRTRALVRTGMDPRMCSLMQGSTLPRRSGAAGAAIKGVGTMVMELIRMIKRGINDRNFWRGENGRRTRIAYERMCNILKGKFQTAAQKAMMDQVRESRNPGNAEIEDLIFLARSALILRGSIAHKSCLPACVYGLAVASGYDFEREGYSLVGIDPFRLLQNSQVFSLIRPNENPAHKSQLVWMACHSAAFEDLRVSSFIRGTRVIPRGQLSTRGVQIASNENVEAMDSSTLELRSRYWAIRTRSGGNTNQQRASAGQISVQPTFSVQRNLPFERATIMAAFKGNTEGRTSDMRTEIIRMMESARPEDVSFQGRGVFELSDEKATNPIVPSFDMSNEGSYFFGDNAEEY

General information: TITO was launched using: RESULT: Template: 2Q06.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 : 64 -10166 -158.84 -211.78 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -158.84 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.072

(partial model without unconserved sides chains): PDB file : Tito_2Q06.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Q06-query.scw PDB file : Tito_Scwrl_2Q06.pdb: