Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDVEAIRKDFPILDQIVNDEPLVYLDNAATTQKPLVVLKAINSYYEQDNANVHRGVHTLAERATASYEAARETIRKFINAGSTKEVLFTRGTTTSLNWVAR-FAEEILTEGDQVLISVMEHHSNIIPWQEACRKTGAELVYVYLK-DGALDMEGLRAKLTDKVKFVSLAHASNVLGVVNPIKEITQLAHQVGAIMVVDGAQSTPHMKIDVQDLDLDFFAFSAHKMAGPTGIGVLYGKEKYLEQMSPVEFGGEMIDFVYEQSASWKELPWKFEAGTPNMAGAIGLATAVDYLEKIGMDAIEAHEQELIAYVYPKLQAIEGLTIYGSQDLAQRSGVIAFNLGDLHPHDLATALDYEGVAVRAGHHCAQPLLQYLEVPATARASFYIYNTKADCDKLVDALQKTKEFFNGTF 5J8Q Chain:A ((2-405)) --NITDIREQFPILHQQVNGHDLVYLDSAATSQKPRAVIETLDKYYNQYNSNVHRGVHTLGTRATDGYEGAREKVRKFINAKSMAEIIFTKGTTTSLNMVALSYARANLKPGDEVVITYMEHHANIIPWQQAVKATGATLKYIPLQEDGTISLEDVRETVTSNTKIVAVSHVSNVLGTVNPIKEMAKIAHDNGAVIVVDGAQSTPHMKIDVQDLDCDFFALSSHKMCGPTGVGVLYGKKALLENMEPAEFGGEMIDFVGLYESTWKELPWKFEAGTPIIAGAIGLGAAIDFLEEIGLDEISRHEHKLAAYALERFRQLDGVTVYGPE---ERAGLVTFNLDDVHPHDVATVLDAEGIAVRAGHH-AQPLMKWLDVTATARASFYLYNTEEEIDKLVEALQKTKEYFTNV-

General information: TITO was launched using: RESULT: Template: 5J8Q.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 : 2363 -4534 -1.92 -11.31 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -1.92 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_5J8Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5J8Q-query.scw PDB file : Tito_Scwrl_5J8Q.pdb: