Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVKMKKCSREDLQTLQQLSIETFNDTFKEQNSPENMKAYLESAFNTEQLEKELSNMSSQFFFIYFDHEIAGYVKVNIDDAQSEEMGAESLEIERIYIKNSFQKHGLGKHLLNKAIEIALERNKKNIWLGVWEKNENAIAFYKKMGFVQTGAHSFYMGDEEQTDLIMAKTLI 1I12 Chain:D ((98-154)) --------------------------------------------------------------------------------------------IEDIAVNSKYQGQGLGKLLIDQLVTIGFDYGCYKIILDCDEKN---VKFYEKCGFSNAGV--------------------

General information: TITO was launched using: RESULT: Template: 1I12.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 121 -34852 -288.03 -611.43 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain D : 0.64 3D Compatibility (PKB) : -288.03 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.694

(partial model without unconserved sides chains): PDB file : Tito_1I12.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1I12-query.scw PDB file : Tito_Scwrl_1I12.pdb: