Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLWMRKTLVVLFTIVTFGLVSPPAALMADKPSGQPSSLEQNDYTAFYDEHDLYDDESDDRRDPELLFQSYKEQLLDSAEDQSFLKFGSRIAPVIEDDYRKEILPKIENVISDYLATLQDDEAYQDVVISSMPSAGKTEKIFNVYNRTTGEDLLRFHVRRDHPPHDGYWFNFHYHTAEDGFQSHHELGSIYWDRNTPPNWMSA 4WUM Chain:A ((16-107)) -----------------------PAAILAIGTATPPNAIEQSEYPDYY----FRVTNSEDKVE---LKEKFKRMCEKSMIKKRYLYL------------TEDILKENPNVCA-YMATSLD--ARQDMVVVEVPKLGK------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WUM.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 : 201 -10697 -53.22 -116.27 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -53.22 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.326

(partial model without unconserved sides chains): PDB file : Tito_4WUM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WUM-query.scw PDB file : Tito_Scwrl_4WUM.pdb: