Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKDLLDIMRKKTDSDGHAPVEFDRIRIGLASPEMIKSWSHGEVKKPETINYRTFKPERDGLFCAKIFGPVKDYECLCGKYKRMKYKGVICEKCGVEVTTAKVRRERMGHIELASPVAHIWFLKSLPSRIGLLLDMTLRDIERVLYFESYVVTDPGMTPFEKYQLLNDEEYFTAL-EEHGDEFVAKMGAEAVQDLLKDIDLEAEISRLREEIPQTTSETKLKKASKRLKLMEAFKDSNNKPEWMVMNVLPVLPPDLRPLVPLEGGRFATSDLNDLYRRVINRNNRLKRLLDLAAPDIIVRNEKRMLQESVDALLDNGRRGRAITGSNKRPLKSLADMIKGKQGRFRQNLLGKRVDYSGRSVITVGPTLRLHQCGLPKKMALELFKPFIFAKLQASGQATTIKAAKKMVERETPEVWDVLASVIRQHPVMLNRAPTLHRLGLQAFEPILIEGKAIRLHPLVCAAFNADFDGDQMAVHVPLTLEAQLEARALMMSTNNILSPANGEPIIVPSQDVVLGLYYITRDAVNAKGEGM----------VFADTHEVNRALATGQVAIHARVKVRVHQ---------TVINENGEREQQTIIVDTTPGRCLLWEVVPEGLSFDMINLEMTKKNISKLINSCYRKLGLKDTVIFADQLMYLGFRQATRSGVSVGMEDMLIPPTKHTIIDKAETEVREIEQQFEQGFVTAGERYNKVVDIWARTNDQVAKAMMDNLSYTLVKNKQGEDEKQKSFNSIYMMSDSGARGSAAQIRQLAGMRGLMAKPDGSIIETPIKANFREGLTVLQYFISTHGARKGLADTALKTANSGYLTRRLVDVAQDLVITEPDCGTRGGLVMTPFIQGGD---VIEP-LRDRVLGRVTAEDVRRASDDEVVLPRGT-LIDEKIAAQLEEAGVDEVKVRSVIACESTFGVCAKCYGRDLARGHLVNPGESVGVMAAQSIGEPGTQLTMRTFHVGGAASRTSAANSVQ--------------------VRNKGTVRFHNVKTVQHAKGHLVSVSRSGEIGIADELGRERER-YKLPYGASILLKDGELVEAGG--IVATWDPHTHPLVTEVAGKARFSQIADGVTATSKTDDATGMTTVEILPVTARPASGKDLRPAIVLDTTDGGEQFYFLPQNTIVTVRDGETIGVGDVIGRVPQESSRTRDITGGLPRVADLFEARKPKEHAILAEVSGIVSFGKETKGKNRLVITPDDGSEIYEELIPKWRQINVFEGEHVNRGETISDGPQNPHDILRLKGEVALTNYIVNEVQDVYRLQGVKINDKHIEVIVRQMLRKVDIIDGGDTSFIKGEQVDYIRVVQENQAVLAQNKFPAKFERQLMGITKASLSTDSFISAASFQETTRVLTEAAVTGKEDDLRGLKENVVVGRLIPAGTGLAYHLERRRQEAEAAEHALHNDFSEVDQAFSQALNSEQF 5UHE Chain:D ((226-1119)) -----------------------------------------------------------------------------------------------------------------------------------------------------------FTKLAPKQLIVDENLYRELVDRYGEYFTGAMGAESIQKLIENFDIDAEAESLRDVIRNGKGQKKLR-ALKRLKVVAAFQQSGNSPMGMVLDAVPVIPPELRPMVQLDGGRFATSDLNDLYRRVINRNNRLKRLIDLGAPEIIVNNEKRMLQESVDALFDNGRRGRPVTGPGNRPLKSLSDLLKGKQGRFRQNLLGKRVDYSGRSVIVVGPQLKLHQCGLPKLMALELFKPFVMKRLVDLNHAQNIKSAKRMVERQRPQVWDVLEEVIAEHPVLLNRAPTLHRLGIQAFEPMLVEGKAIQLHPLVCEAFNADFDGDQMAVHLPLSAEAQAEARILMLSSNNILSPASGRPLAMPRLDMVTGLYYLTTEVPGDTGEYQPASGDHPETGVYSSPAEAIMAADRGVLSVRAKIKVRLTQLRPPVEIEAELFGHSGWQPGDAWMAETTLGRVMFNELLPLGYPF--VNKQMHKKVQAAIINDLAERYPMIVVAQTVDKLKDAGFYWATRSGVTVSMADVLVPPRKKEILDHYEERADKVEKQFQRGALNHDERNEALVEIWKEATDEVGQALR---------------EHYPDDNPIITIVDSGATGNFTQTRTLAGMKGLVTNPKGEFIPRPVKSSFREGLTVLEYFINTHGARKGLADTALRTADSGYLTRRLVDVSQDVIVREHDCQTERGIVVELAERAPDGTLIRDPYIETSAYARTLGTDAVDEAGN-VIVERGQDLGDPEIDALL-AAGITQVKVRSVLTCATSTGVCATCYGRSMATGKLVDIGEAVGIVAAQSIGEPGTQL-------------TGGLPRVQELFEARVPRGKAPIADVTGRVRLEDGERFYKITIVPDDGGEEVVYDKISK--------RQRLRVFKHEDGSERVLSDGDHVEVGQQLMEGSADPH---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5UHE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 3299 53706 16.28 64.55 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.72 3D Compatibility (PKB) : 16.28 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.403

(partial model without unconserved sides chains): PDB file : Tito_5UHE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5UHE-query.scw PDB file : Tito_Scwrl_5UHE.pdb: