Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPGKSRIIFHIDMNSFYASVEMAYDPALRGKPVAVAGNVKERKGIVVTCSYEARARGVKTTMPVWQAKRHCPELIVLPPNFDRYRNSSRAMFTILREYTDLVEPVSIDEGYMDMTDTPYS-SRALETAKEIQSRLQKELLLPSSIGIAPNKFLAKMASDMKKPLGITILRKRQVPDILWPLPVGEMHGVGKKTAEKLKGLGIHTIGELAAADEHSLKRLLGINGPRLKNKANGIHHAPVDPERIYEFKSVGNSSTLSHDSSDEEELLGVFRKLAASVSDRLQ--RKEVMASKLFIMIRYADWRTITRSTTLRNPIDQKNDILKEAEHLFFKHWNKNPVRLLGITGTDLVEKEQAYKQLDLFSFNEDAKDEPIQQMMEKLNKKYGTKLIRKGATLKKEESKTKGTSFNKDFFQDEKKS 4IR9 Chain:F ((2-340)) ----SRKIIHVDMDCFFAAVEMRDNPALRDIPIAIGGS-RERRGVISTANYPARKFGVRSAMPTGMALKLCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDSVHCHGSATLIAQEIRQTIFNELQLTASAGVAPVKFLAKIASDMNKPNGQFVITPAEVPAFLQTLPLAKIPGVGKVSAAKLEAMGLRTCGDVQKCDLVMLLKRFGKFGRILWERSQGIDERDVNSERLR--KSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKVKPDLLIARQGVKLKFDDFQQTTQEHVW--PRLNKADLIATARKTWDERRGGRGVRLVGLHVTLL---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4IR9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1606 -20553 -12.80 -61.17 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain F : 0.76 3D Compatibility (PKB) : -12.80 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.482

(partial model without unconserved sides chains): PDB file : Tito_4IR9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IR9-query.scw PDB file : Tito_Scwrl_4IR9.pdb: