Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPNKSKPNRLIAEKSPYLLQHAHNPVDWFPWGEEAFAKAKRENKPVLVSIGYSTTCHWWPGIIKSCGTPLKDNRSHFKR 3IRA Chain:A ((1-62)) -----EPNRLIKEKSPYLLQHAYNPVDWYPWGEEAFEKARKENKPVFLSIGY-STCHWCHMMAHESFE-----------

General information: TITO was launched using: RESULT: Template: 3IRA.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 : 158 -10513 -66.54 -169.56 target 2D structure prediction score : 0.79 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -66.54 2D Compatibility (Sec. Struct. Predict.) : 0.79 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.462

(partial model without unconserved sides chains): PDB file : Tito_3IRA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IRA-query.scw PDB file : Tito_Scwrl_3IRA.pdb: