Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKREDLIAPVQYNLVNEMEKFSAAGQKTALLWEDESGKQESWSYEKLMEETNKIGAALADLGFKKGDKLIVMVPRVLEAYAVYLAILKSGMVVIPCSEMLRAKDLEYRIEHAEVKGAIVYSEFIG--AFRDVS-TADKLI--TLSIG-ENDAGWKNLLSIEAD-----GSQFKTADTTRDDMAFLSYTSGTTGQPKGVVHTHGWAFAHLKTSAGAWLDISEKDIVWATAAPGWQKWVWSPFLAVLGSGATGFVYH-GRFKAEKYLELLNRYKINVFCCTPTEYRLMAKVEGLKRFDLSALHSAVSAGEPLNREVIDVFQKHFGIKVRDGYGQTESTLLVGVLKDTPIKPGSMGKPTPGNQVEIINEDGEICKPGEVGDIAVHLST---PALFKEYFKDPERMKTQIRGDYFLTGDRARKDEEGYFWFESRNDDIIISSGYTIGPFEVEDALVKHPEVKECAVVASPDEIRGSIVKAYVVLQNHEKRSDELVKMLQNHVKTITAPYKYPREIEFVESLPKTASAKIRRVELRKREEQLKANKKA 3ETC Chain:A ((66-559)) ---------------------ARDSPEKLAMIWCDDYGNEKIFTFKDLKYYSDKAANFFVKHGIGKGDYVMLTLKSRYDFWYCMLGLHKLGAIAVPATHMLKTRDIVYRIEKAGLKMIVCIAEDDVPEQVDEAHAECGDIPLKKAKVGGDVLEGWIDFRKELEESSPIFERPTGEVSTKNEDICLVYFSSGTAGFPKMVEHDNTYPLGHI-LTAKYWQNVEDDGLHYTVADSGWGKCVWGKLYGQWIAGCAVFVYDYDRFEAKNMLEKASKYGVTTFCAPPTIYRFLIKEDL----NFSTLKYAVVAGEPLNPEVFNRFLEFTGIKLMEGFGQTETVVTIATFPWMEPKPGSIGKPTPGYKIELMDRDGRLCEVGEEGEIVINTMEGKPVGLFVHYGKDPERTEETWHDGYYHTGDMAWMDEDGYLWFVGRADDIIKTSGYKVGPFEVESALIQHPAVLECAITGVPDPVRGQVIKATIVLTKDYTPSDSLKNELQDHVKNVTAPYKYPRIIEFVPE---------------------------

General information: TITO was launched using: RESULT: Template: 3ETC.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 : 2679 -39194 -14.63 -82.34 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -14.63 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_3ETC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ETC-query.scw PDB file : Tito_Scwrl_3ETC.pdb: