Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKIIINGGKQ-LTGEVAVSGAKNSVVALIPATILADDIVVLDGVPAISDVDSLVDIMETMGAKIKRYGETLEIDPRGVKDIPMPYGKINSLRASYYFYGSLLGRYGQATVGLPGGCDLGPRPIDLHLKAFEAMGASVSYEGDSMRLATNGKPLQGANIYMDTVSVGATINTMIAAAKANGRTVIENAAREPEIIDVATLLNNMGAHIRGAGTDVITIEGVKSLHGTRHQVIPDRIEAGTYIAMAAAIGRGIKVTNVLYEH-LESFIAKLDEMGVRMTVEEDSIFVEEQ-EKLKAVSIKTSPYPGFATDLQQPLTPLLLTAEGNGSLLDTIYEKRVNHVPELARMGANISTLGGKIVYSGPNQLSGAPVKATDLRAGAALVIAGLMAEGRTEITNIEFILRGYSNIIEKLTSLGADIQLVEE |
4R7U Chain:C ((4-418)) | MEKFRVIGSTQPLQGEVTISGAKNAALPILFASILAEEPVEVANVPHLRDIDTTMELLERLGAKVERNG-SVHVDAGPINQYCAPYDLVKTMRASIWALGPLVARFGQGQVSLPGGCAIGARPVDLHIHGLEQLGATITLEDGYVKAHVDGR-LQGAHIVMDKVSVGATITIMCAATLAEGTTVLDNAAREPEIVDTAMFLNKLGAKISGAGTDSITIEGVERLGGGKHAVVPDRIETGTFL-VAAAVSRGKIVCRNTHAHLLEAVLAKLEEAGAEIECGEDWISLDMTGRELKAVTVRTAPHPGFPTDMQAQFTLLNMMAKGGGVITETIFENRFMHVPELKRMGAKAEIEGNTVICGDVDRLSGAQVMATDLRASASLVIAGCIAKGETIVDRIYHIDRGYERIEDKLSALGANIERFRD |
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General information:
TITO was launched using:
| RESULT:
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Template: 4R7U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -283816 for 3849 contacts (-73.7/contact) +
2D Compatibility (PS) -43723 + (NN) -9810 + (LL) 108
1D Compatibility (HY) -36400 + (ID) 9700
Total energy: -383341.0 ( -99.59 by residue)
QMean score : 0.513
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