Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------MILRHLGISPTNDLVAKKIFSNPEITCQFIRDMLDLPAK---NVTILEGSDIHV------LLSMPYSVQDFYTSIDVLAEL-DNGT-QVIIEIQVH-------HQNFF-INHLWAYLCSQVNQNLEKIHQREGDTH 3NQN Chain:A ((4-158)) LSAEQSFTLRHPHGQAAALAFVREPAAALAGVRFLRGLDSDGEQVWGELLVTVPLLGEVDLPFRSEIVRTPQGAELRPLTLTGERAWVAVSGQATAAEGGEMAFAFQFQAHLAEGWGGAAFEKMVQAAAGRTLERVAKALPEGLAAGLPPA

General information: TITO was launched using: RESULT: Template: 3NQN.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 : 490 14039 28.65 119.99 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 28.65 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.167

(partial model without unconserved sides chains): PDB file : Tito_3NQN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NQN-query.scw PDB file : Tito_Scwrl_3NQN.pdb: