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

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 A - contact count / total energy / energy per contact / energy per residue : 595 -68737 -115.52 -528.74 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -115.52 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.783

(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: