Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVKVEVKHLTKIFGKKTQAALDMMNDHQPKTEILKKTGATVGVYDVNFDVKEGEIFVIMGLSGSGKSTLIRLLNRLIEPTSGSIYIDGEDVSKLSKEELREVRRHKINMVFQNFGLFPHRTILENTEYGLEVRGVPKEERQEKAEKALENSSLLSFKDQYPSQLSGGMQQRVGLARALANDPEILLMDEAFSALDPLIRREMQDELLDLQANVQKTIIFITHDLNEALRIGDRIALMKDGEIMQIGTGEEILTNPANDYVREFVEEVDRSKVLTAQNIMVPALTTNIESDGPNVALTRMRNEEVSMLMAVDRKRHLKGIITADQALEARKQKRPLIDFLDENVTVIGKDMVVSDIFNIIYDSPTPLAVVEDGKLKGVVIRGSVIEALAETSEVSEHE 1OXX Chain:K ((1-243)) MVRIIVKNVSKVFKKG----------------------KVVALDNVNINIENGERFGILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVASNGKLIVP-PEDRKIGMVFQTWALYPNLTAFENIAFPLTNMKMSKEEIRKRVEEVAKILDIHHVLNHFPRELSGAQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRLGVTLLVVSHDPADIFAIADRVGVLVKGKLVQVGKPEDLYDNPVSIQVASLIGE-----------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1OXX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain K - contact count / total energy / energy per contact / energy per residue : 1294 -150538 -116.34 -619.50 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain K : 0.70 3D Compatibility (PKB) : -116.34 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.592

(partial model without unconserved sides chains): PDB file : Tito_1OXX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1OXX-query.scw PDB file : Tito_Scwrl_1OXX.pdb: