Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKQEKLALVESALEDFYGDQQFASSLRESVLYSIHAGGKRIRPFLLLEVLEALQVAIKP-AHAQVATALEMIHTGSLIHDDLPAMDDDDYRRGRLTNHKKFGEAMAILAGDALFLDPYALIAQADLPSQIKVDLIANLSLASGSLGMVAGQVLDMEGEHQHLSLEELQTIHANKTGKLLAYPFQAAAIIAELSPEMQVKLK-TVGELIGLAFQVRDDVLDVTASFEEIGKTPQKDLQAEKSTYPALLGLEESIAFCNQTLDQANEKLEEIAQQVPFETE-----SIVSVVESLRING 3PDE Chain:A ((34-301)) ------------------------AQLAAAMTYSVLAGGKRLRPLLTVATMQSLGVTFVPERHWRPVMALELLHTYSLIHDDLPAMDNDALRRGEPTNHVKFGAGMATLAGDGLLTLAFQWLTATDLPATMQAALVQALATAAGPSGMVAGQAKDIQSEHVNLPLSQLRVLHKEKTGALLHYAVQAGLILGQ-APEAQWPAYLQFADAFGLAFQIYDDILDVVSS-----------ADEAKNTYPGKLGL----IGANQALIDTIHSGQAALQGLPTSTQRDDLAAFFSYFDTERVN-

General information: TITO was launched using: RESULT: Template: 3PDE.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 : 1157 -33238 -28.73 -132.95 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -28.73 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.467

(partial model without unconserved sides chains): PDB file : Tito_3PDE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PDE-query.scw PDB file : Tito_Scwrl_3PDE.pdb: