Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAYDDQNIFAKILRGELPAIKLYEDDQVLAFMDIMPQADGHALVIPKTPAVTLLDLPPEAAAYTIQIVQKIAKAMETALNLDGIVLMQLSGAAAGQTVPHVHFHLIPTNV-HQLGKHAAQLGDQDKIKALAEKIKAAL 3LB5 Chain:D ((26-161)) --YDNNNIFAKLIRNEIPSVRVYEDDDVIAFMDIMPQAPGHTLVIPKKGSRNLLDADTETLFPVIKAVQKIAKAVKKAFQADGITVMQFNEAASQQTVYHLHFHIIPRMEG--------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 : 579 -67081 -115.86 -528.19 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain D : 0.84 3D Compatibility (PKB) : -115.86 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.816

(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: