Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQEGDYEKAAEAFTKAIEENKEDAIPYINFANLLSSVNELERALAFYDKALELDSSAATAYYGAGNVYVVKEMYKEAKDMFEKALRAGMENGDLFYMLGTVLVKLEQPKLALPYLQRAVELNENDTEARFQFGMCLANEGMLDEALSQFAAVTEQDPGHADAFYNAGVTYAYKENREKALEMLDKAIDIQPDHMLALHAKKLIDPS 4RG9 Chain:A ((588-774)) ----EHDIAIKFFQRAIQVDPNYAYAYTLLGHEFVLTEELDKALACFRNAIRVNPRHYNAWYGLGMIYYKQEKFSLAEMHFQKALDINPQSSVLLCHIGVVQHAL---------LNKAIVIDPKNPLCKFHRASVLFANEKYKSALQELEELKQIVPKESLVYFLIGKVYKKLGQTHLALMNFSWAMDLDP---------------

General information: TITO was launched using: RESULT: Template: 4RG9.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 : 770 -67064 -87.10 -376.76 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -87.10 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.562

(partial model without unconserved sides chains): PDB file : Tito_4RG9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RG9-query.scw PDB file : Tito_Scwrl_4RG9.pdb: