Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPELPEVETVRRTLTGLVKGKTIKSVEIRWPNIIKRPAEPEEFARKLAGETIQSIGRRGKFLLFHLDHYVMVSHLRMEGKYGLHQAEEPDDKHVHVIFTMTDGTQLRYRDVRKFGTMHLFKPGEEAGELPLSQLGPEPDAEEFTSAYLKDRLAKTNRAVKTALLDQKTVVGLGNIYVDEALFRAGVHPETKANQLSDKTIKTLHAEIKNTLQEAIDAGGSTVRSYINSQGEIGMFQLQHFVYGKKDEPCKNCGTMISKIVVGGRGTHFCAKCQTKK 3GQ4 Chain:A ((1-272)) -PQLPEVETIRRTLLPLIVGKTIEDVRIFWPNIIRHPRDSEAFAARMIGQTVRGLERRGKFLKFLLDRDALISHLRMEGRYAVASALEPLEPHTHVVFCFTDGSELRYRDVRKFGTMHVYAKEEADRRPPLAELGPEPLSPAFSPAVLAERAVKTKRSVKALLLDCTVVAGFGNIYVDESLFRAGILPGRPAASLSSKEIERLHEEMVATIGEAVMKGGSTVRTYVNTQGEAGTFQHHLYVYGRQGNPCKRCGTPIEKTVVAGRGTHYCPRCQ---

General information: TITO was launched using: RESULT: Template: 3GQ4.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 : 1494 -115733 -77.47 -425.49 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -77.47 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.475

(partial model without unconserved sides chains): PDB file : Tito_3GQ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GQ4-query.scw PDB file : Tito_Scwrl_3GQ4.pdb: