Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQLMIMVTEVGKLEHTCNLLAEVNKGGKVIKVFDYNGNELSMNMDGIVTFNRKRWELPVKVDLK 3IIR Chain:B ((3-15)) --------------------------------LLDINGNVVEASR--------------------

General information: TITO was launched using: RESULT: Template: 3IIR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 10 690 69.00 53.08 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.55 3D Compatibility (PKB) : 69.00 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.884

(partial model without unconserved sides chains): PDB file : Tito_3IIR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IIR-query.scw PDB file : Tito_Scwrl_3IIR.pdb: