Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSHAWKELTFYKKKYLLIELLIIVMMFMVVFLSGLANGLGRAVSAAIENNPAQTYILNEGAEQVITSSVLTTKDQTDLNSLNLKDSTTLNIQRSSLTRQGHEKKIDISYFAIDKDSFMAPTLSEGKQLTSYKKAIILNDSLKAEGIKLGDKVIDKSSSISLTVVGFVHNSMYGHGPVAFIDKDIYTEINKKINPQYQFLPQALVMKNDKSISHLPTQLEAVSKKDVIQHIPGYSAEQSTLNMILWVLVVASAGILGVFFYIITLQKRHEFSVMKAIGTKMSE-IALFQLSQVIILALFGIIVGDGLAIALSYVLP--AQMPFVINWQNIILVSFVFLVIAMISSALSIVKVAKIDPVEVINGGGE |
4AW6 Chain:A ((116-214)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PEYEITQSLVFLLLATLFSALAGLPWSLYNTFVIEEKHGFN-QQTLGFFMKDAIKKFVVTQCILLPVSSLLL---------YIIKIGGDYFFIYAWLFTLVVSLVLVTIYADYIAPLFDKFTPLPEGKLKEEIEV |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AW6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -45746 for 495 contacts (-92.4/contact) +
2D Compatibility (PS) -9600 + (NN) -1331 + (LL) 17412
1D Compatibility (HY) -12000 + (ID) 1250
Total energy: -52515.0 ( -106.09 by residue)
QMean score : 0.171
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