Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MITRIPSVIYSLLNMRKLVSEYDIVVIGSGPGGYIAAIRAAQLGFKTAIIEKEKSLGGICLNWGCIPTKSLLRASKVYELIKRSEEFGIKVKDASFDIQSIVKSSRNVVGKLSSGVAYLMKKNGIKVYQGFGKLAGNHTIKVSSGREEQEISSRHIILATGVRMRNLHGIE-ADGDLLWNAQHAMTPDRLPKSLLIIGSGAIGIEFASFYSTLGVDVTIIEVKNAILPLEDKDISNLAQEIFTRKGIRIYTNNSVKAFTKGKNSIKVQLSSGESKEFDRVIVAVGIQASTESIGLENTKVKLSASGFVETNEWYETDESSVYAIGDIAGPPCLAHKASHEAVICIERIAGKNVRALRKECIPNCTYSHPQIASVGLTEEQAIKDGYDIKIGKFHSNFNGKSITLGETEGLVKVIIDKKTGELLGAHMIGVGVTELISNFVLVKQLEGTDCDIKSVVFPHPTISEMIHESVLAAYDESLNS |
2YQU Chain:A ((1-450)) | --------------------MYDLLVIGAGPGGYVAAIRAAQLGMKVGVVEKEKALGGTCLRVGCIPSKALLETTERIYEAKKG-LLGAKVKGVELDLPALMAHKDKVVQANTQGVEFLFKKNGIARHQGTARFLSERKVLVEE--TGEELEARYILIATGSAPLIPP-WAQVDYERVVTSTEALSFPEVPKRLIVVGGGVIGLELGVVWHRLGAEVIVLEYMDRILPTMDLEVSRAAERVFKKQGLTIRTGVRVTAVVPEAKGARVELEGGEVLEADRVLVAVGRRPYTEGLSLENAGLSTDERGRIPVDEHLRTRVPHIYAIGDVVRGPMLAHKASEEGIAAVEHMVRGFGH-VDYQAIPSVVYTHPEIAAVGYTEEELKAQGIPYKVGKFPYSASGRARAMGETEGFIKVLAHAKTDRILGVHGIGARVGDVLAEAALALFFKASAEDLGRAPHAHPSLSEILKEAALAAWERPIHL |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YQU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -294289 for 4042 contacts (-72.8/contact) +
2D Compatibility (PS) -47738 + (NN) -8696 + (LL) 2048
1D Compatibility (HY) -31200 + (ID) 8200
Total energy: -388075.0 ( -96.01 by residue)
QMean score : 0.552
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