Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKVAIVTGAGQGIGFAIAKRLHADGFKIGVLDYNEETAQAAVDKLSPEDAVAVVADVSKRDQVFDAFQKVVDTFGDLNVVVNNAGVAPTTPLDTITEEQFEKAFAINVGGTIWGSQAAQKHFRELGHGGKIINATSQAGCEGNPNLTVYGGTKFAVRGITQTLAKDLASEGITVNAYAPGIVKTPMM-FDIAHEVGKNAGKDDEWGMEQFAKDITLKRLSEPEDVANAVGFLAGDDSNYITGQTIVVDGGMVFH |
3AK4 Chain:D ((13-260)) | --RKAIVTGGSKGIGAAIARALDKAGATVAIADLDVMAAQAVVAGLE-NGGFAVEVDVTKRASVDAAMQKAIDALGGFDLLCANAGVSTMRPAVDITDEEWDFNFDVNARGVFLANQIACRHFLASNTKGVIVNTASLAAKVGAPLLAHYSASKFAVFGWTQALAREMAPKNIRVNCVCPGFVKTAMQEREIIWE-AELRGMTPEAVRAEYVSLTPLGRIEEPEDVADVVVFLASDAARFMTGQGINVTGGVRMD |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AK4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -96543 for 2188 contacts (-44.1/contact) +
2D Compatibility (PS) -26644 + (NN) -7694 + (LL) 232
1D Compatibility (HY) -15600 + (ID) 4900
Total energy: -151149.0 ( -69.08 by residue)
QMean score : 0.628
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