Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLWMRKTLVVLFTIVTFGLVSPPAALMADKPSGQPSSLEQNDYTAFYDEHDLYDDESDDRRDPELLFQSYKEQLLDSAEDQSFLKFGSRIAPVIEDDYRKEILPKIENVISDYLATLQDDEAYQDVVISSMPSAGKTEKIFNVYNRTTGEDLLRFHVRRDHPPHDGYWFNFHYHTAEDGFQSHHELGSIYWDRNTPPNWMSA 1LFD Chain:B ((28-96)) --------------------------------------------------------------------------------------FVDKYDPTIEDSYRKQVVIDGETCLLDILDTAGQEE-YSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQY-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 1LFD.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 : 126 -4709 -37.37 -68.25 target 2D structure prediction score : 0.25 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : -37.37 2D Compatibility (Sec. Struct. Predict.) : 0.25 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.244

(partial model without unconserved sides chains): PDB file : Tito_1LFD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1LFD-query.scw PDB file : Tito_Scwrl_1LFD.pdb: