Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQSQPVLTIVVPCFNEEEVFQETSHQLTEVVDDLIEEKLIAEDSKILFVDDGSKDR------TWALIAMESIRN-KKVTGLKL----------------------ACNVGHQKALLAGLHKA---KNRSDCVISIDADLQDDISVIR----DFM-LKYHE--GCEIVYGVRRSRKTDTFFKRTTALGFYRLMNKL-GIK---LIYNHADFRLMNKRSLEELERYPEANLFLRGIVPMIGFKSAEVLYDRKERFAGKTKYPLKKMLSFAFNGITSFSVAPIRFFTLLGFVLFFLSAVAGIGAFIQKLLGHTNAGWASLIISIWFLGGLQLMGIGIIGEYIGTIFSEVKRRPKYAIDIDLYNEQLSPLQRQEKERLEKKYS 2ZU9 Chain:A ((48-270)) --DLLGKMAVIVPMKNEKL---HLVDGVLKAI---------PHKCPIIIVSNSKREGPNRYKLEVDLIRHFYNLTHSKIIMIHQKDPGLAKAFKEVGYTDILDENGMIRSGKGEGMLVGLLLAKAIG--AEYVGFVDAD-NYIPGAVNEYVKDYAAGFLMSESEYTMVRLHWR-------VSEITNHYLNLLVSEHTAFETTIMVTGNAGEHAMTMKLAEIL-PFSTGYSI-----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2ZU9.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 : 729 -89695 -123.04 -550.27 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -123.04 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_2ZU9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZU9-query.scw PDB file : Tito_Scwrl_2ZU9.pdb: