Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRYLVLTALLALSLAACSQEKTKNEDGETKTEQTAKADGTVGSKSQGAAQKKAEVVNKGDYYSIQGKYDEIIVANKHYPLSKDYNPGE-------------NPTAKAELVKLIKAMQEAGFPISDHYSGFRSYETQTKLYQDYVNQDGKEAADRYSARPGYSEHQTGLAFDVIGTDG-------DLVTEEKAAQWLLDHAADYGFVVRYLKGKEKETGYMAEEWHLRYVGKE-AKEIAESGLSLEEYYGFEGGDYVD 4MUR Chain:A ((22-206)) ---------------------------------------------------------------------MNTLQLINKNHPLKKNQEPPHLVLAPFSDHDVYLQPEVAKQWERLVRATG-LEKDIR-LVSGYRTEKEQRRLWEYSLKENGLAYTKQFVALPGCSEHQIGLAIDVGLKKQEDDDLICPHFRDSAAADLFMQQMMNYGFILRYPEDKQEITGISYEPWHFRYVGLPHSQVITAQKWTLEEYHDYLAQT---

General information: TITO was launched using: RESULT: Template: 4MUR.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 : 775 21358 27.56 130.23 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 27.56 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_4MUR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MUR-query.scw PDB file : Tito_Scwrl_4MUR.pdb: