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

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 D - contact count / total energy / energy per contact / energy per residue : 581 -65662 -113.01 -512.98 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain D : 0.86 3D Compatibility (PKB) : -113.01 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.834

(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: