Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLWVKESIEQLLSKLHTNLDTGLTKEQVKQKHAEFGTNEF--EEGKKESLLQKIGHHLVEITTIVLLFAAAISAYLAI-----TTGYGWAKVVVILGIVVLNMVLGIYQENSAEKALAALQSMNAHLTTVIRDGVR--MQVDATELVPGDIIEIVAGDMIPADARIIS--SSSLQVEESALTGESVPVEKDANAVVSEKAPIGDRLNMLYSGCLVTNGRATAVVVEIGMETEMGKIAGLLNSTSKLMTPLQLRLKELAKRLSIVALLAGILIFIIDVYVYGETI---------IETLMIAISLAVAAVPETLPVIVTLTLAYGVQNMVRKNTIIRRIPAVETIGNTSVICSDKTGTLTQNKMIIQQIWAADHT----------------------------PIKATAEFDTAEQKVLEMLSLSSNATIDV--TDGEETIIGDPTESAIIRLLEE----------------KGTTKKALEAKYPRVFELPFDSDRKLMTTI------HQVEDGFLSITKGAFD--------------RIPVN--FSEAFLAEAERVHDSFAEDALRVLVVAYKKYP----EMPTDLSSEAL--ETDLTFAGMVGMIDPPRPESKAAVLAAKKAGIKTVMITGDHIVTASAIAKEIGILTD----GDKAITGAELAEMSEADLEKNIRDYAVYARVSPEDKIRIVKAWQKNGEIVTMTGDGVNDAPALKAADVGAAMGITGTDVSKNAADMVITDDNFATIVDAVKEGRTAYENIRKTIYFLLSTNFSQIFIMLIAIILGWGAPVVAVQLLLINVVSDGIPGFFLSREKADDSIMERKP-IPKNAGIFANGLGKKMATQAVVFTIVTLAGFYIGQFVTINNSIGASYEV--------------------------GMTMAFVILAWSSVAHIFNVRS-DKSIFTIGFLSNRGLFFSAICSMLIILGLAIIPPLANMFFLVEMSLTHWILAFILSMFPLLFVEIQKLIQRKRAKA |
1WPG Chain:B ((7-989)) | -----KSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGK--SLWELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALKEYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIR-SGQFDGLVE-LATICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEW--GTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAMG-SGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAIGG--YVGAATVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMALSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLKALDLTQWLMVLKISLPVIGLDEILKFIAR----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WPG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -445570 for 7221 contacts (-61.7/contact) +
2D Compatibility (PS) -91923 + (NN) -43225 + (LL) 2244
1D Compatibility (HY) -64800 + (ID) 16150
Total energy: -659424.0 ( -91.32 by residue)
QMean score : 0.419
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