Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLTLFRDYPNGRYAMTFDVIIVGGSYAGISAGMQLARARRRVLVMDTGLRRNRFARASHGFLGQDGRDPAAIADDARAQLLA-YPSVEWLSE--AAVAAKKEADGFVVKAANGERFTARRLILASGVADELPEIPGLAERWGRHVFHCPYCHGYELDGGP-IGVLAASPL-----AIHHALMLPDWGAT-TFFLNG------VFEPDAEQMSRLDRRGVTIEREAVVALG----GARADVTLASGRTITLAGLFTQPRTRMASPLAALLGCEFEDGPSGPFIRTDGMRETSVPGVFACGDAALAAGNVAIAVGDGARTGGAAHHSLLFR-- |
4NTC Chain:A ((2-326)) | --MSIGKLLSNG--ALLVDVLIIGAGPAGLSTATGLARQLHTAVVFDSGVYRNAKTQHMHNVLGWDHRNPAELRAAGRADLTTRYSTIQFQNSTIEAIRQVETNQLFEARDNEGHSWYGRKVVLATGVRDIPLDIEGYSECWANGIYHCLFCDGYEERGQETVGVLALGPIANPARALHLARMALRLSESVTIYTNGNEQLAKEIQQAAEE-SPVGASGLKFEARPIRRFEKGDVAKTVIVHLGESESKTEGFLVYNPQTEVNGPFAKQLALNMTEG--GDILTTPPFYETSVPGVFAVGDCATPLKAVTPAVSMGSLAAGGLVAQLQAQAL |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NTC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -210869 for 2543 contacts (-82.9/contact) +
2D Compatibility (PS) -32637 + (NN) -11448 + (LL) 504
1D Compatibility (HY) -19600 + (ID) 4800
Total energy: -278850.0 ( -109.65 by residue)
QMean score : 0.441
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