Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTHDLIEKSKKHLWLPFTQMKD-YDENPLIIESGTGIKVKDINGKEYYDGFSSVWLNVHGHRKKELDDAIKKQLGKIAHSTLLGMTNVPATQLAETLIDISPKKLTRVFYSDSGAEAMEIALKMAFQYWKNIGKPEKQKFIAMKNGYHGDTIGAVSVGSIE-LFHHVYGPLMFESYKAPIPYVYRSESGDPDECRDQCLRELAQLLEEHHEEIAALSIESMVQGASGMIVMPEGYLAGVRELCTTYDVLMIVDEVATGFGRTGKMFACEHENVQPDLMAAGKGITGGYLPIAVTFATEDIYKAFYDDYENLKTFFHGHSYTGNQLGCAVALENLALFESENIVEQVAEKSKKLHFLLQDLHALPHVGDIRQLGFMCGAELVRSKETKEPYPADRRIGYKVSLKMRELGMLTRPLGDVIAFLPPLASTAEELSEMVAIMKQAIHEVTSLED 1QJ3 Chain:B ((1-425)) MTTDDLAFDQRHILHPYTSMTSPLPVYPVVSAEGCELILSD--GRRLVDGMSSWWAAIHGYNHPQLNAAMKSQIDAMSHVMFGGITHAPAIELCRKLVAMTPQPLECVFLADSGSVAVEVAMKMALQYWQAKGE-ARQRFLTFRNGYHGDTFGAMSVCDPDN---------LPENLFAPAPQ--SRM--EWDE-RD--MVGFARLMAAHRHEIAAVIIEPIVQGAGGMRMYHPEWLKRIRKICDREGILLIADEIATGFGRTGKLFACEHAEIAPDILCLGKALTGGTMTLSATLTTREVAETISNG----GCFMHGPTFMGNPLACAAANASLAILESGDWQQQVADIEVQLREQLAPARDAEMVADVRVLG------AIGVVETTHPVNMAALQKFFV-----EQGVWIRPFGKLIYLMPPYIILPQQLQRLTAAVNRAVQDET----

General information: TITO was launched using: RESULT: Template: 1QJ3.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 : 2328 -13250 -5.69 -32.32 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -5.69 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.464

(partial model without unconserved sides chains): PDB file : Tito_1QJ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QJ3-query.scw PDB file : Tito_Scwrl_1QJ3.pdb: