Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKASVIIPAYNSKE-RLYNSLLSLNQQECDE-EFEVIVADNGSEDGTLSMLESFQADFPLIFTRIKENRGIAYGRNQALRNARGDILIFHDSDMLAAKDLVAKHIKAHENEENLVVCGLFWKRIYSFYYERFEEEHKEQLAKLTGEMPKKDKQKLLEEADIKNGSFLDKS-FDLDTDFIDVLKKILDEYGDDLKGYHMPWRFFITNNSSVKRKHVVDLGLFDEGIVRYGFEDYDLGIRLHQAGLTFRLRRDIVSVHQEHPSNCKSV-----DDIRANIAYMCDKYNNIRSLDVHLAFNGPFPPDMTNRIMADIQKLLESQKYDMLLNLFLELLHVVKERNIDPDWRKKSPRVTAKSFDLQTVRKLLPKAKKKLGVNDFANALYALVNDLLHVDLRSLDVV 5AJO Chain:A ((136-397)) PATSVVITFHNEARSALLRTVVSVLKKSPPHLIKEIILVDDYSNDPEDGALLGKI--EKVRVLRNDRREGLMRSRVRGADAAQAKVLTFLDSHCECNEHWLEPLLERVAEDRTRVVSPIIDVINM----DNF--------QYV--------GA-SAD----LKGGFDWNLVFKW----DY-MTPEQRRSRQGNPVAPIKTPMIAGGLFVMDKFYFEELGKYDMMMDVWGGENLEISFRVWQCGGSLEIIPCSRVGHVFRKQHPYTFPGGSGTVFARNTRRAAEVWMDEYKNFYY----------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5AJO.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 : 1359 -97046 -71.41 -382.07 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -71.41 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.280

(partial model without unconserved sides chains): PDB file : Tito_5AJO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AJO-query.scw PDB file : Tito_Scwrl_5AJO.pdb: