Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELHAITDDSKPVEELARIIITIQNEVDFIHIRERSKSAADILKLLDLIFEGGIDKRKLVMNGRVDIALFSTIHRVQLPSGSFSPKQIRARFPHLHIGRSVHSLEEAVQAEKEDADYVLFGHVFETDCKKGLEG-RGVSLLSDIK-QRISIPVIAIGGMTPDRLRDVKQAGADGIAVMSGIFSSAEPLEAARRYSRKLKEMRYEKAL 1G4S Chain:A ((80-223)) ----------------------------------------------------------FIVNDDVELALNLKADGIHIGQEDANAKEVRAAIGDMILGVAAHTMSEVKQAEEDGADYVGLGPIYPTETKKDTRAVQGVSLIEAVRRQGISIPIVGIGGITIDNAAPVIQAGADGVSMISAISQAEDPESAARKFREEIQTYK-----

General information: TITO was launched using: RESULT: Template: 1G4S.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 : 639 -86224 -134.94 -607.21 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -134.94 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.593

(partial model without unconserved sides chains): PDB file : Tito_1G4S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1G4S-query.scw PDB file : Tito_Scwrl_1G4S.pdb: