Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKIIINGGKQLTGEVAVSGAKNSVVALIPATILADDIVVLDGVPAISDVDSLVDIMETMGAKIKRYGETLEIDPRGVKDIPMPYGKINSLRASYYFYGSLLGRYGQATVGLPGGCDLGPRPIDLHLKAFEAMGASVSYEGDSMRLATNGKPLQGANIYMDTVSVGATINTMIAAAKANGRTVIENAAREPEIIDVATLLNNMGAHIRGAGTDVITIEGVKSLHGTRHQVIPDRIEAGTYIAMAAAIGRG-IKVTNVLYEHLESFIAKLDEMGVRMTVEEDSIFVEEQEKL-KAVSIKTSPYPGFATDLQQPLTPLLLTAEGNGSLLDTIYEKRVNHVPELARMGANISTLGGKIVYSGPNQLSGAPVKATDLRAGAALVIAGLMAEGRTEITNIEFILRGYSNIIEKLTSLGADIQLVEE |
1A2N Chain:A ((1-417)) | MDKFRVQGPTKLQGEVTISGAKNAALPILFAALLAEEPVEIQNVPKLKDVDTSMKLLSQLGAKVERNG-SVHIDARDVNVFCAPYDLVKTMRASIWALGPLVARFGQGQVSLPGGATIGARPVDLHISGLEQLGATIKLEEGYVKASVDGR-LKGAHIVMDKVSVGATVTIMCAATLAEGTTIIENAAREPEIVDTANFLITLGAKISGQGTDRIVIEGVERLGGGVYRVLPDRIETGTFL-VAAAISRGKIICRNAQPDTLDAVLAKLRDAGADIEVGEDWISLDMHGKRPKAVNVRTAPHPAFPTDMQAQFTLLNLVAEGTGFITETVFENRFMHVPELSRMGAHAEIESNTVICHGVEKLSGAQVMATDLRASASLVLAGCIAEGTTVVDRIYHIDRGYERIEDKLRALGANIERVKG |
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General information:
TITO was launched using:
| RESULT:
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Template: 1A2N.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -293787 for 3979 contacts (-73.8/contact) +
2D Compatibility (PS) -43778 + (NN) -9534 + (LL) 108
1D Compatibility (HY) -35600 + (ID) 9500
Total energy: -392091.0 ( -98.54 by residue)
QMean score : 0.505
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