Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRPTNNKFILPIITFIIFLGIWEMVIIIGHYQPVLLPGPALVGKSIWTFIVTGEIFQHLAISLWRFVAGFVVALLVAIPLGFLLGRNRWLYNAIEPLFQLIRPISPIAWAPFVVLWFGIGSLPAIAIIFIAAFFPIVFNTIKGVRDIEPQYLKIAANLNLTGWSLYRNILFPGAFKQIMAGIHMAVGTSWIFLVSGEMIGAQSGLGFLIVDARNMLNLEDVLAAIFFIGLFGFIIDRFISYIEQFILRRFGE |
3TUI Chain:A ((3-37)) | -----------------------------------------------------EPMMWLLVRGVWETLAMTFVSGFFGFVIGLPVGVL--------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TUI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -15185 for 139 contacts (-109.2/contact) +
2D Compatibility (PS) -3837 + (NN) -2543 + (LL) 19060
1D Compatibility (HY) -3600 + (ID) 300
Total energy: -6405.0 ( -46.08 by residue)
QMean score : -0.045
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