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

General information: TITO was launched using: RESULT: Template: 4IRC.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 : 1590 -14467 -9.10 -43.06 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -9.10 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_4IRC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IRC-query.scw PDB file : Tito_Scwrl_4IRC.pdb: