Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPETMNKTLISISKWGKATGILF----IIMGAITALSGAFFFLIGAVPGVLQIISGIFLMRSAREAGQMAEHNSGQSEDLMLENYAKFVKMQGIYLIVSIAVSILAIIAFFIFLMLGIADGLFSDTYSTY 3WXX Chain:B ((113-162)) -----------KSGLASKIFGWISAIASMVIGAILIATGV-----GAAVGAMMIVGG--------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WXX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 56 -9973 -178.08 -269.53 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.48 3D Compatibility (PKB) : -178.08 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.48 QMean score : 0.003

(partial model without unconserved sides chains): PDB file : Tito_3WXX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WXX-query.scw PDB file : Tito_Scwrl_3WXX.pdb: