Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKYQRMHLIFIRQYIKQIMEYKVDFVVGVLGVFLAQGLNLLFLNVIFQHIPFLEGWTFQEIAFIYGFSLIPKGMDHLFFDNLWALGQRLVRKGEFDKYLTRPINPLFHILVETFQIDALGELLVGGILLGTTVTSIVWTLPKFLLFLVCIPFA--------TLIYTSLKIATASIAFW---TKQSGAMIYIFYMFNDF---AKYPISIYNSLLRWLISFIVPFAFTAYYPASYFLQEKDVFFNVGGLMLISLVFFVISLKLWDKGLDSYESAGS 2X91 Chain:A ((423-501)) ---------------------------------------------------------------------------------------------------------------------------------------------------IVFLPFAFTMDKYRWSLFRGEVDKANWNCAFWKLRDEYSGIEPPVVRSEKDFDAPAKYHISADVEYLRYLVSFIIQFQF-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2X91.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 : 168 -13605 -80.98 -209.30 target 2D structure prediction score : 0.34 Monomeric hydrophicity matching model chain A : 0.47 3D Compatibility (PKB) : -80.98 2D Compatibility (Sec. Struct. Predict.) : 0.34 1D Compatibility (Hydrophobicity) : 0.47 QMean score : 0.056

(partial model without unconserved sides chains): PDB file : Tito_2X91.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X91-query.scw PDB file : Tito_Scwrl_2X91.pdb: