Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQAIPSSRVGVKINEWYKMIRQFSVPDAEILKAEVEQDIQQMEEDQDLLIYYSLMCFRHQLMLDYLEPGKTYGNRPTVTELLETIETPQKKLTGLLKYYSLFFRGMYEFDQKEYVEAIGYYREAEKELPFVSDDIEKAEFHFKVAEAYYHMKQTHVSMYHILQALDIYQNHPLYSIRTIQSLFVIAGNYDDFKHYDKALPHLEAALELAMDIQNDRFIAISLLNIANSYDRSGDDQMAVEHFQKAAKVSREKVPDLLPKVLFGLSWTLCKAGQTQKAFQFIEEGLDHITARSHKFYKELFLFLQAVYKETVDERKIHDLLSYFEKKNLHAYIEACARSAAAVFESSCHFEQAAAFYRKVLKAQEDILKGECLYAY 4I1A Chain:B ((14-377)) -------DLVTKKLNEWYTSIKNDQVEQAEIIKTEVEKELLNMEENQDALLYYQLLEFRHEIMLSY------IEDLNNAYETIKEIE-KQGQLTGMLEYYFYFFKGMYEFRRKELISAISAYRIAESKLSEVEDEIEKAEFFFKVSYVYYYMKQTYFSMNYANRALKIFREYEEYAVQTVRCQFIVAGNLIDSLEYERALEQFLKSLEISKESNIEHLIAMSHMNIGICYDELKEYKKASQHLILALEIFEKSKHSFLTKTLFTLTYVEAKQQNYNVALIYFRKGRFIADKSDDKEYSAKFKILEGLFFSDGETQLIKNAFSYLASRKMFADVENFSIEVADYFHEQGNLMLSNEYYRMSIEARRKIKKGEII---

General information: TITO was launched using: RESULT: Template: 4I1A.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1553 -170269 -109.64 -474.29 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -109.64 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_4I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4I1A-query.scw PDB file : Tito_Scwrl_4I1A.pdb: