Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPGKSRIIFHIDMNSFYASVEMAYDPALRGKPVAVAGNVKERKGIVVTCSYEARARGVKTTMPVWQAKRHCPELIVLPPNFDRYRNSSRAMFTILREYTDLVEPVSIDEGYMDMTDTPYS-SRALETAKEIQSRLQKELLLPSSIGIAPNKFLAKMASDMKKPLGITILRKRQVPDILWPLPVGEMHGVGKKTAEKLKGLGIHTIGELAAADEHSLKRLLGINGPRLKNKANGIHHAPVDPERIYEFKSVGNSSTLSHDSSDEEELLGVFRKLAASVSDRLQ--RKEVMASKLFIMIRYADWRTITRSTTLRNPIDQKNDILKEAEHLFFKHWNKNPVRLLGITGTDLVEKEQAYKQLDLFSFNEDAKDEPIQQMMEKLNKKYGTKLIRKGATLKKEESKTKGTSFNKDFFQDEKKS 4R8U Chain:B ((1-336)) -----RKIIHVDMDCFFAAVEMRDNPALRDIPIAIGGS-RERRGVISTANYPARKFGVRSAMPTGMALKLCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDSVHCHGSATLIAQEIRQTIFNELQLTASAGVAPVKFLAKIASDMNKPNGQFVITPAEVPAFLQTLPLAKIPGVGKVSAAKLEAMGLRTCGDVQKCDLVMLLKRFGKFGRILWERSQGIDERDVNSERLR--KSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKVKPDLLIARQGVKLKFDDFQQTTQEHVW--PRLNKADLIATARKTWDERRGGRGVRLVGLHVT-----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4R8U.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 : 1540 -18794 -12.20 -56.44 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -12.20 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_4R8U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R8U-query.scw PDB file : Tito_Scwrl_4R8U.pdb: