Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELHAITDDSKPVEELARIIITIQNEVDFIHIRERSKSAADILKLLDLIFEGGIDKRKLVMNGRVDIALFSTIHRVQLPSGSFSPKQIRARFPHLHIGRSVHSLEEAVQAEKEDADYVLFGHVFETDCKKGLEG-RGVSLLSDIK-QRISIPVIAIGGMTPDRLRDVKQAGADGIAVMSGIFSSAEPLEAARRYSRKLKEMRYEKAL 2TPS Chain:A ((81-224)) ----------------------------------------------------------FIVNDDVELALNLKADGIHIGQEDANAKEVRAAIGDMILGVSAHTMSEVKQAEEDGADYVGLGPIYPTETKKDTRAVQGVSLIEAVRRQGISIPIVGIGGITIDNAAPVIQAGADGVSMISAISQAEDPESAARKFREEIQTYK-----

General information: TITO was launched using: RESULT: Template: 2TPS.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 : 636 -88133 -138.57 -620.65 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -138.57 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.573

(partial model without unconserved sides chains): PDB file : Tito_2TPS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2TPS-query.scw PDB file : Tito_Scwrl_2TPS.pdb: