Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKDLLDIMRKKTDSDGHAPVEFDRIRIGLASPEMIKSWSHGEVKKPETINYRTFKPERDGLFCAKIFGPVKDYECLCGKYKRMKYKGVICEKCGVEVTTAKVRRERMGHIELASPVAHIWFLKSLPSRIGLLLDMTLRDIERVLYFESYVVTDPGMTPFEKYQLLNDEEYFTALEEHGDEFVAKMGAEAVQDLLKDIDLEAEISRLREEIPQTTSETKLKKASKRLKLMEAFKDSNNKPEWMVMNVLPVLPPDLRPLVPLEGGRFATSDLNDLYRRVINRNNRLKRLLDLAAPDIIVRNEKRMLQESVDALLDNGRRGRAITG-SNKRPLKSLADMIKGKQGRFRQNLLGKRVDYSGRSVITVGPTLRLHQCGLPKKMALELFKPFIFAKLQASGQATTIKAAKKMVERE---TPEVWDVLASVIRQHPVMLNRAPTLHRLGLQAFEPILIEGKAIRLHPLVCAAFNADFDGDQMAVHVPLTLEAQLEARALMMSTNNILSPANGEPIIVPSQDVVLGLYYITRDAVNAKGEGMVFADTHEVNRALATGQVAIHARVKVRVHQTVINE----------------NGEREQQTII--------VDTTPGRCLLWEVVPEG-----LSFDMINLEMT--KKNISKLINSCYRKLGLKDTVIFADQLMYLGFRQATRSGVSVGMEDMLIPPTKHTIIDKAETEVREIEQQFEQGFVTAGERYNKVVDIWARTNDQVAKAMMDNLSYTLVKNKQGEDEKQKSFNSIYMMSDSGARGSAAQIRQLAGMRGLMAKPDGSIIETPIKANFREGLTVLQYFISTHGARKGLADTALKTANSGYLTRRLVDVAQDLVITEPDCGTRGGLVMTPFIQGGDVIEPLRDR--------VLGRVTAEDVRRASDDEVVLPRG---TLIDEKIAAQLEEAG-VDEVKVRSVIACESTFGVCAKCYGRDLARGHLVNPGESVGVMAAQSIGEPGTQLTMRTFHVGGAASRTSAANSV-QVRNKGTVRFHNVKTVQHAKGHLVSVSRSGE-IGIADELGRERERYKLPYGASILLKDGELVEAGGIV--ATWDPHTHPLVTEVAGKARFSQIADGVTATSKTDDATGMTTVEILPVTARPASGKDLRPAIVLDTTDGGEQFYFLPQNTIVTVRDGETIGVGDVIGRVPQESSRTRDITGGLPRVADLFEARKPKEHAILAEVSGIVSFGKETKGKNRLVITPDDGSEIYEELIPKWRQINVFEGEHVNRGETISDGPQNPHDILRLKGEVALTNYIVNEVQDVYRLQGVKINDKHIEVIVRQMLRKVDIIDGGDTSFIKGEQVDYIRVVQENQAVLAQNKFPAKFERQLMGITKASLSTDSFISAASFQETTRVLTEAAVTGKEDDLRGLKENVVVGRLIPAGTGLAYHLERRRQEAEAAEHALHNDFSEVDQAFSQALNSEQF 4G7O Chain:D ((454-1333)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ARMGAEAIQQLLKELDLEALEKELLEEM-KHPSRARRAKARKRLEVVRAFLDSGNRPEWMILEAVPVLPPDLRPMVQVDGGRFATSDLNDLYRRLINRNNRLKKLLAQGAPEIIIRNEKRMLQEAVDALLDNGRRGAPVTNPGSDRPLRSLTDILSGKQGRFRQNLLGKRVDYSGRSVIVVGPQLKLHQCGLPKRMALELFKPFLLKKMEEKGIAPNVKAARRMLERQRDIKDEVWDALEEVIHGKVVLLNRAPTLHRLGIQAFQPVLVEGQSIQLHPLVCEAFNADFDGDQMAVHVPLSSFAQAEARIQMLSAHNLLSPASGEPLAKPSRDIILGLYYITQVRKEKKGAGLEFATPEEALAAHERGEVALNAPIKVAGRETSVGRLKYVFANPDEALLAVAHGIVDLQDVVTVRYMGKRLETSPGRILFARIVAEAVEDEKVAWELIQLDVPQEKNSLKDLVYQAFLRLGMEKTARLLDALKYYGFTFSTTSGITIGIDDAVIPEEKKQYLEEADRKLLQIEQAYEMGFLTDRERYDQILQLWTETTEKVTQAVFKNF------------EENYPFNPLYVMAQSGARGNPQQIRQLCGLRGLMQKPSGETFEVPVRSSFREGLTVLEYFISSHGARKGGADTALRTADSGYLTRKLVDVTHEIVVREADCGT-TNYISVPLFQPDEVTRSLRLRKRADIEAGLYGRVLAREVEVLG---VRLEEGRYLSMDDVHLLIKAAEAGEIQEVPVRSPLTCQTRYGVCQKCYGYDLSMARPVSIGEAVGIVAAQSIGEPGTQLT--------------ITQGLPRVIELFEARRPKAKAVISEIDGVVRIEETEEKLSVFVESEGFSKEYKLPKEARLLVKDGDYVEAGQPLTRGAIDPH---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4G7O.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 : 3456 31846 9.21 39.07 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain D : 0.73 3D Compatibility (PKB) : 9.21 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_4G7O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G7O-query.scw PDB file : Tito_Scwrl_4G7O.pdb: