Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----------------------MGIVFNYIDPVAFNLGPLSVRWYGIIIAVGILLGYF-VAQRALVKAGLHKDTLVDIIFYSALFGFIAARIYFVIFQWPYYAENPSEIIKIWHGGIAIHGGLIGGFIAGVIVCKVKNLNPFQIGDIVAPSIILAQGIGRWGNFMNHEAHGGPVSRAFLEQLHLPNFIIENMYINGQYYHPTFLYESIWDVAGFIILVNIRK-HLKLGETFFLYLTWYSIGRFFIEGLRTDSLMLTSNIRVAQLVSILLILISISLIVYRRIKYNPPLYSKVGALPWPTKKVK |
2OCC Chain:C ((1-261)) | MTHQTHAYHMVNPSPWPLTGALSALLMTSGLTMWFHFNSMTLLMIGLTTNMLTMYQWWRDVIRESTFQGHHTPAVQKGLRYGMILFIISEVLFFTGFFWAFYHSSLAPTPEL--GGCWPPTG-------------IHPLNPLEVPLLNTSVLLASGVSITWAHHSLMEGDRKHMLQALFITITLGVYF--TLLQASEYYEAPFTISDGVYGSTFFVATGFHGLHVIIGSTFLIVCFFRQLKFHF----------TSNHHFGFEAGAWYWHFVDVVWLFLYVSIY-----------WWGS---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2OCC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -170351 for 1699 contacts (-100.3/contact) +
2D Compatibility (PS) -23954 + (NN) -161 + (LL) 2972
1D Compatibility (HY) -16800 + (ID) 1600
Total energy: -209894.0 ( -123.54 by residue)
QMean score : 0.111
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