Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTELLDALHVLEHDKGISREVLVEAIEAALTSAYKRNFKDAQNVRVDLNMENGSIRVLARKEAVEQVFDSRLEISMEEAHKLNPVYQPGDVVELEVTPKDFGRIAAQTAKQVVTQRVREAERGIIYDEFIDREDDIMTGIVERQDSRFIYVNLGKIEAILSQNEQMPNETYHAHDRIKVYLTKVEKTTKGPQIFVSRTHPGLLKRLFEMEVPEIYDGVVEIKSVAREAGDRSKISVYTANEEVDPVGACVGPKGARVQTIVNELKGEKIDIVEWSEDPFTFVANALSPSKVLDVIVNE-ADQATTVIVPDYQLSLAIGKRGQNARLAAKLTGWKIDIKSETVATELGIYPRNGVEAPEVEEAESETFTEDEE |
1HH2 Chain:P ((1-341)) | MNIGLLEALDQLEEEKGISKEEVIPILEKALVSAYRKNFGNSKNVEVVIDRNTGNIKVYQLLEVVEEVEDPATQISLEEAKKIDPLAEVGSIVKKELNVKNFGRIAAQTAKQVLIQRIRELEKEKQFEKYSELKGTVTTAEVIRVMGEWADIRIGKLETRLPKKEWIPGEEIKAGDLVKVYIIDVVKTTKGPKILVSRRVPEFVIGLMKLEIPEVENGIVEIKAIAREPGVRTKVAVASNDPNVDPIGACIGEGGSRIAAILKELKGEKLDVLKWSDDPKQLIANALAPATVIEVEILDKENKAARVLVPPTQLSLAIGKGGQNARLAAKLTGWKIDIKPI-------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1HH2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -96693 for 2507 contacts (-38.6/contact) +
2D Compatibility (PS) -36607 + (NN) -13285 + (LL) 2152
1D Compatibility (HY) -29600 + (ID) 8000
Total energy: -182033.0 ( -72.61 by residue)
QMean score : 0.490
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