Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAYDDQNIFAKILRGELPAIKLYEDDQVLAFMDIMPQADGHALVIPKTPAVTLLDLPPEAAAYTIQIVQKIAKAMETALNLDGIVLMQLSGAAAGQTVPHVHFHLIPT-NVHQLGKHAAQLGDQDKIKALAEKIKAAL 3LB5 Chain:B ((25-161)) -AYDNNNIFAKLIRNEIPSVRVYEDDDVIAFMDIMPQAPGHTLVIPKKGSRNLLDADTETLFPVIKAVQKIAKAVKKAFQADGITVMQFNEAASQQTVYHLHFHIIPRMEGIE----NNIITPTEILEENAKKIRAAL

General information: TITO was launched using: RESULT: Template: 3LB5.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 : 586 -62181 -106.11 -471.06 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -106.11 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.782

(partial model without unconserved sides chains): PDB file : Tito_3LB5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LB5-query.scw PDB file : Tito_Scwrl_3LB5.pdb: