Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKSGKWFSLAAALSVTAIVGAGCSMSNGDAQKDTKTTAETKQTEQKTADSKKSNTQNSEFSLESQYFNDIKKVDGLETIQNPENILALVNKQYALPGNYEPSDLVIPDVEFSFEEKIQKRYIRKEAADALKTMFDAAKKEGYELA-AVSGYRSYDRQKVIFDNEVSLKGERKAKEAVAYPGESEHQTGLAMDISSRSNGFELNEAFGSTADGKWVQDNAYKYGFIIRYPKNKEDITKYEYEPWHLRYVGKKAAKVIQDNDLTLEEYFEKVKKI 4NT9 Chain:B ((40-215)) ------------------------------------------------------------------------NKGDYYSIQGKYDEIIVANKHYPLSKDYNPGE-------------------NPTAKAELVKLIKAMQEAGFPISDHYSGFRSYETQTKLYQDYVNQDGKAAADRYSARPGYSEHQTGLAFDVIGTDGD-----LVTEEKAAQWLLDHAADYGFVVRYLKGKEKETGYMAEEWHLRYVGKE-AKEIAASGLSLEEYYGFEGG-

General information: TITO was launched using: RESULT: Template: 4NT9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 857 12147 14.17 69.41 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : 14.17 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_4NT9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NT9-query.scw PDB file : Tito_Scwrl_4NT9.pdb: