Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKIIINGG-KQLTGEVAVSGAKNSVVALIPATILADDIVVLDGVPAISDVDSLVDIMETMGAKIKRYGETLEIDPRGVKDIPMPYGKINSLRASYYFYGSLLGRYGQATVGLPGGCDLGPRPIDLHLKAFEAMGASVSYEGDSMRLATNGKPLQGANIYMDTVSVGATINTMIAAAKANGRTVIENAAREPEIIDVATLLNNMGAHIRGAGTDVITIEGVKSLHGTRHQVIPDRIEAGTYIAMAAAIGRGIKVTNVLYEHLESFIAKLDEMGVRMTVEEDSIFVEEQ-EKLKAVSIKTSPYPGFATDLQQPLTPLLLTAEGNGSLLDTIYEKRVNHVPELARMGANISTLGGKIVYSGPNQLSGAPVKATDLRAGAALVIAGLMAEGRTEITNIEFILRGYSNIIEKLTSLGADIQLVEE |
3VCY Chain:A ((1-418)) | MDKFRIQGSDKPLSGEVTISGAKNAALPILFASLLAEEPVEVANVPKLRDVDTTMELLKRLGAEVSRNG-SVHIDASGVNDFCAPYDLVKTMRASIWALGPLVARFGKGQVSLPGGCAIGARPVDLHIHGLEQLGATIKLEEGYVKAEVDGR-LKGAHIVMDKVSVGATITVMCAATLAEGTTVLENAAREPEIVDTANFLNAIGAKVSGMGTDTITIEGVERLGGGYHEVVADRIETGTFLVAAAVSGGKIVCKNTKAHLLEAVLAKLEEAGADVQTGDDWISLDMTGRELKAVNIRTAPHPAFPTDMQAQFTLLNMMAKGSGIITETIFENRFMHIPELQRMGAHAEIEGNTAICGDTDGLSGAQVMATDLRASASLVIAGCIAKGETIVDRIYHIDRGYDKIEDKLTALGANIERVHS |
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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) -316452 for 3959 contacts (-79.9/contact) +
2D Compatibility (PS) -43995 + (NN) -9409 + (LL) -36
1D Compatibility (HY) -34000 + (ID) 9550
Total energy: -413442.0 ( -104.43 by residue)
QMean score : 0.530
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