Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQAIPSSRVGVKINEWYKMIRQFSVPDAEILKAEVEQDIQQME-EDQDLLIYYSLMCFRHQLMLDYLEPGKTYGNRPTVTELLETIETPQKKLTGLLKYYSLFFRGMYEFDQKEYVEAIGYYREAEKELPFVSDDIEKAEFHFKVAEAYYHMKQTHVSMYHILQALDIYQNHPLY-SIRTIQSLFVIAGNYDDFKHYDKALPHLEAALELAMDIQNDRFIAISLLNIANSYDRSGDDQMAVEHFQKAAKVSREKVPDLLPKVLFGLSWTLCKAGQTQKAFQFIEEGLDHITARSHKFYKELFLFLQAVYKETVDERKIHDLLSYFEKKNLHAYIEACARSAAAVFESSCHFEQAAAFYRKVLKAQEDILKGECLYAY 3Q15 Chain:A ((7-375)) ----IPSSRVGVKINEWYKMIRQFSVPDAEILKAEVEQDIQQ-MEEDQDLLIYYSLMCFRHQLMLDYLEP--------TVTELLETIETPQKKLTGLLKYYSLFFRGMYEFDQKEYVEAIGYYREAEKELPFVSDDIEKAEFHFKVAEAYYHMKQTHVSMYHILQALDIYQNH-PLYSIRTIQSLFVIAGNYDDFKHYDKALPHLEAALELAMDIQNDRFIAISLLNIANSYDRSGDDQMAVEHFQKAAKVSREKVPDLLPKVLFGLSWTLCKAGQTQKAFQFIEEGLDHITARSHKFYKELFLFLQAVYKETVDERKIHDLLSYFEKKNLHAYIEACARSAAAVFESSCHFEQAAAFYRKVLKAQEDILKGECL---

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 : 1549 -180482 -116.51 -502.73 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.97 3D Compatibility (PKB) : -116.51 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.97 QMean score : 0.614

(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: