Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELHAITDDSKPVEELARIIITIQNEVDFIHIRERSKSAADILKLLDLIFEGGIDKRKLVMNGRVDIALFSTIHRVQLPSGSFSPKQIRARFPHLHIGRSVHSLEEAVQAEKEDADYVLFGHVFETDCKKGLEG-RGVSLLSDIK-QRISIPVIAIGGMTPDRLRDVKQAGADGIAVMSGIFSSAEPLEAARRYSRKLKEMRYEKAL 1G4S Chain:B ((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 B - contact count / total energy / energy per contact / energy per residue : 639 -85927 -134.47 -605.12 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -134.47 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.588

(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: