Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MADKNRTFKLVGAGSSSTQEKIEKPALSFMQDAWRRLKKNKLAVVSLYLLALLLTFSLASNLFVTQKDANGFDSKKVTTYRNLPPKLSSNLPFWNGSIKYAGNTESTDAYKSQNVPEKVKYALGTDSLGRSVAKRIIVGIRISLLVAIAATFIDLIIGVTYGLVSGFAG-------GRLDTLMQRIVEVISSIPNLVIVTMLGLVLG------NGITAIIISIAFTGWTSMSRQVRNLTLSYREREFVLAARSLGESPIKIAFKHILPNISGIIIVQIMMTIPSAIMYEAVLSAINLGVKPPTASLGSLISDAQENLQYYPYQVILPALALVMISLAFILLGDGLRDAFDPKSSDE |
| 3TUI Chain:A ((2-216)) | --------------------------------------------------------------------------------------------------------------------------------SEPMMWLLVRGVWETLAMTFVSGFFGFVIGLPVGVLLYVTRPGQIIANAKLYRTVSAIVNIFRSIPFIILLVWMIPFTRVIVGTSIGLQAAIVPLTVGAAPFIARMVENA-LLEIPTGLIEASRAMGATPMQIVRKVLLPEALPGLVNAATITLITLVGYSAMGGAVG------AGGLGQIGYQYGYIG-YNATVMNTVLVLLVILVYLIQFAGDRIVRAVTR----- |
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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) -178288 for 1568 contacts (-113.7/contact) +
2D Compatibility (PS) -21092 + (NN) -4105 + (LL) 7920
1D Compatibility (HY) -16400 + (ID) 1950
Total energy: -213915.0 ( -136.43 by residue)
QMean score : 0.380
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