Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKQEKLALVESALEDFYGDQQFASSLRESVLYSIHAGGKRIRPFLLLEVLEALQVAIKPAHAQVATALEMIHTGSLIHDDLPAMDDDDYRRGRLTNHKKFGEAMAILAGDALFLDPYALIAQADLPSQIKVDLIANLSLASGSLGMVAGQVLDMEGEHQHLSLEELQTIHANKTGKLLAYPFQAAAIIAELSPEMQVKLKTVGELIGLAFQVRDDVLDVTASFEEIGKTPQKDLQAEKSTYPALLGLEESIAF-------CNQTLDQANEKLEEIAQQVPFETESIVSVVESLRING 3NPK Chain:A ((21-278)) --------------------ESFHPFFNEALALMLKAGGKHFRAQLLLSVVQSNKPELLNQALDVALALEFIHTYSLIHDDLPAMDNADFRRGIPTLHKSYDETTAILVGDALNTEAFLVLSHAHLKDEIKIKLIKTLAFNAGLNGMVIGQAIDCFFEDKRLSLNELEFLHTHKTARLIAAALKMGCEICELNNEESNQIYKLGLKLGLIFQINDDIIDVT------------------NSFVNLLGLEQAIKTKENLLNECEQDLEKLNEKLAQMIQNL------------------

General information: TITO was launched using: RESULT: Template: 3NPK.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 : 1036 -115003 -111.01 -489.37 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -111.01 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_3NPK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NPK-query.scw PDB file : Tito_Scwrl_3NPK.pdb: