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

General information: TITO was launched using: RESULT: Template: 4IRD.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 : 1575 -13422 -8.52 -39.94 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -8.52 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_4IRD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IRD-query.scw PDB file : Tito_Scwrl_4IRD.pdb: