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 |
| 3AR4 Chain:A ((10-990)) | -----KSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGK--SLWELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALKEYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIR-SGQFDGLVE-LATICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEW--GTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAMG-SGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAIGG--YVGAATVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMALSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLKALDLTQWLMVLKISLPVIGLDEILKFIAR----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AR4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -186025 for 7174 contacts (-25.9/contact) +
2D Compatibility (PS) -88810 + (NN) -12568 + (LL) 2256
1D Compatibility (HY) 27200 + (ID) 2650
Total energy: -260597.0 ( -36.33 by residue)
QMean score : 0.125
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