Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEYELLIREAEPKDAAELVAFLNRVSLETDFTSLDGDGILLTSEEMEIFLNKQASSDNQITLLAFLNGKIAGIVNITADQRKRVRHIGDLFIVIGKRYWNNGLGSLLLEEAIEWAQASGILRRLQLTVQTRNQAAVHLYQKHGFVIEGSQERGAYIEEGKFIDVYLMGKLIG 2I79 Chain:D ((4-172)) ---ELLIREAEPKDAAELVAFLNRVSLETDFTSLDGDGILLTSEEMEIFLNKQASSDNQITLLAFLNGKIAGIVNITADQRKRVRHIGDLFIVIGKRYWNNGLGSLLLEEAIEWAQASGILRRLQLTVQTRNQAAVHLYQKHGFVIEGSQERGAYIE--KFIDVYLMGKLIG

General information: TITO was launched using: RESULT: Template: 2I79.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 775 -108326 -139.78 -648.66 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain D : 0.99 3D Compatibility (PKB) : -139.78 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.99 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_2I79.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2I79-query.scw PDB file : Tito_Scwrl_2I79.pdb: