Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRYLVLTALLALSLAACSQEKTKNEDGETKTEQTAKADGTVGSKSQGAAQKKAEVVNKGDYYSIQGKYDEIIVANKHYPLSKDYNPGE-------------------NPTAKAELVKLIKAMQEAGFPISDHYSGFRSYETQTKLYQDYVNQDGKEAADRYSARPGYSEHQTGLAFDVIGTDG-----DLVTEEKAAQWLLDHAADYGFVVRYLKGKEKETGYMAEEWHLRYVGKE-AKEIAESGLSLEEYYGFEGGDYVD 4OX3 Chain:A ((24-216)) -----------------------------------------------------------------IQNPENILALVNKQYALPGNYEPSDLVIPDVEFSFEEKIQKRYIRKEAADALKTMFDAAKKEGYELA-AVSGYRSYDRQKVIFDNEVSLKGERKAKEAVAYPGESEHQTGLAMDISSRSNGFELNEAFGSTADGKWVQDNAYKYGFIIRYPKNKEDITKYEYEPWHLRYVGKKAAKVIQDNDLTLEEYFEKVKK----

General information: TITO was launched using: RESULT: Template: 4OX3.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 : 818 81383 99.49 484.42 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 99.49 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.581

(partial model without unconserved sides chains): PDB file : Tito_4OX3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OX3-query.scw PDB file : Tito_Scwrl_4OX3.pdb: