Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRGVFLDKDKIPYDLVTKKLNEWYTSIKNDQVEQAEIIKTEVEKELLNME-ENQDALLYYQLLEFRHEIMLSYMK-SKEIEDLNNAYETIKEIEKQGQLTGMLEYYFYFFKGMYEFRRKELISAISAYRIAESKLSEVEDEIEKAEFFFKVSYVYYYMKQTYFSMNYANRALKIFREYEEY-AVQTVRCQFIVAGNLIDSLEYERALEQFLKSLEISKESNIEHLIAMSHMNIGICYDELKEYKKASQHLILALEIFEKSKHSFLTKTLFTLTYVEAKQQNYNVALIYFRKGRFIADKSDDKEYSAKFKILEGLFFSDGETQLIKNAFSYLASRKMFADVENFSIEVADYFHEQGNLMLSNEYYRMSIEARRKIKKGEIIDENQPDSIGSSDFK 3Q15 Chain:A ((8-371)) -----------PSSRVGVKINEWYKMIRQFSVPDAEILKAEVEQDIQQ-MEEDQDLLIYYSLMCFRHQLMLDYLEPTVTE-L-LETI---ETP-QK-KLTGLLKYYSLFFRGMYEFDQKEYVEAIGYYREAEKELPFVSDDIEKAEFHFKVAEAYYHMKQTHVSMYHILQALDIYQNH-PLYSIRTIQSLFVIAGNYDDFKHYDKALPHLEAALELAMDIQNDRFIAISLLNIANSYDRSGDDQMAVEHFQKAAKVSREKVPDLLPKVLFGLSWTLCKAGQTQKAFQFIEEGLDHITARSHKFYKELFLFLQAVYKETVDERKIHDLLSYFEKKNLHAYIEACARSAAAVFESSCHFEQAAAFYRKVLKAQEDILK------------------

General information: TITO was launched using: RESULT: Template: 3Q15.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 : 1516 -163370 -107.76 -462.80 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -107.76 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_3Q15.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3Q15-query.scw PDB file : Tito_Scwrl_3Q15.pdb: