Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIIGVDSVAKIVVVTSGKGGVGKTTTSASFATGLALRGHKTVVIDFDVGLRNLDLIMGCERRVVYDFVNVINNEARLQQALIRDKDIENLYILPASQTRDKDALSDEGVARVIDEL-SQEFDYIICDSPAGIERGAILAMYHADEAIIVTNPEISSVRDSDRIIGMLDSKTKKVEQNEGRIRKHLCITRFNPERADRQEMLTIDDISKDILRVPTLGVIPECPSVLQASNEGKPVILYSETKAGQAYDDLVARFLGEDRPYRHITAQPKGWLARLFGA 3R9I Chain:B ((2-256)) ---------ARIIVVTSGKGGVGKTTSSAAIATGLAQKGKKTVVIDFAIGLRNLDLIMGCERRVVYDFVNVIQGDATLNQALIKDKRTENLYILPASQTR---ALTREGVAKVLDDLKAMDFEFIVCDSPAGIETGALMALYFADEAIITTNPEVSSVRDSDRILGILASKSRRAENGEEPIKEHLLLTRYNPGRVSRGDMLSMEDVL-EILRIKLVGVIPEDQSVLRASNQGEPVILDINADAGKAYADTVERLLGEERPFRFI--------------

General information: TITO was launched using: RESULT: Template: 3R9I.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 : 1467 -105043 -71.60 -418.50 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.89 3D Compatibility (PKB) : -71.60 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.607

(partial model without unconserved sides chains): PDB file : Tito_3R9I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R9I-query.scw PDB file : Tito_Scwrl_3R9I.pdb: