Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MHKILVRSNYKPLVGQIKINGSKNAILPIMAASLLSSSSVVLHNVPDLIDVHLMSELLEGLGAKVNFMHNKDHKANHTLETDCSNINNYAIQYETASKLRASFLMLGPMLSRFGKARTAFPGGCNIGKRPVDMHIKALEEMGAKIEIDGYNIIATVKGKLQGRKITLEKISVGATENIIMAATLAEGVTTINNAATEPEILDLIEFLKKIGADIKINNTKVI-ITGVKKLNGCIHKIISDRIEAGTYALAAIITNGKLVLEGINLSDIRCIANELEAIGAMVELYDGSIVISRKNGSIKSTNVATDPYPNFPSDMQPQLMSAMCIADGISVIEENIFENRFSHADELRKLGANISIKKNKAAINGIKSLSGANLYATDLRSTAALVLASLVASGETTINNSHHLWRGYEAMHEKLNSCGADISISP |
3VCY Chain:A ((1-414)) | MDKFRIQGSDKPLSGEVTISGAKNAALPILFASLLAEEPVEVANVPKLRDVDTTMELLKRLGAEVS--------RNGSVHIDASGVNDFCAPYDLVKTMRASIWALGPLVARFGKGQVSLPGGCAIGARPVDLHIHGLEQLGATIKLEEGYVKAEVDGRLKGAHIVMDKVSVGATITVMCAATLAEGTTVLENAAREPEIVDTANFLNAIGAKVSGMGTDTITIEGVERLGGGYHEVVADRIETGTFLVAAAVSGGKIVCKNTKAHLLEAVLAKLEEAGADVQTGDDWISLDMTGRELKAVNIRTAPHPAFPTDMQAQFTLLNMMAKGSGIITETIFENRFMHIPELQRMGAHAEIEGNTAICGDTDGLSGAQVMATDLRASASLVIAGCIAKGETIVDRIYHIDRGYDKIEDKLTALGANIERVH |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VCY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -306204 for 3921 contacts (-78.1/contact) +
2D Compatibility (PS) -44572 + (NN) -13725 + (LL) 400
1D Compatibility (HY) -30400 + (ID) 8900
Total energy: -403401.0 ( -102.88 by residue)
QMean score : 0.558
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