Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKHKSEFLNFIQERGYLCQCTNIEGLDQLLLQNNYVVAYIGFDCTASSLHVGSLIQIMMLRHLQKFGYKPIVLLGGSTTKIGDPSGKDKARSVLPIEDINQNISGIKKALKKMVYFNDGKAGAIIVNNADWLDSIKYIDFLRDIGAHFSVNRMLSFDSAKTRLDRE-QNLSFLEFNYMLLQAYDFAELNKKYGCRLQIGGSDQWGNIVNGIELGKKLNLPELFGLTTPLLLSAQGKKMGKTESGTVWLDGDMLKPYDYWQYFRNIDDQDIGRFLRFFTDLPIDEIKKLESL-KNQ-EINEAKKALATEVTKICHGDKEAELAQSSAVSVFENGDSSLLPDYTITKKQVANGISLIDLLHDIGLEPSKGAAKRLIQGNGCKVNDYTINDINYIINSKSFKDQSFIKLSAGKKRHIKVMVS |
1WQ3 Chain:A ((4-321)) | ----SNLIKQLQERGLVAQVTDEEALAERLAQGP-IALVCGFDPTADSLHLGHLVPLLCLKRFQQAGHKPVALVGGATGLIGDPSFKAAERKLNTEETVQEWVDKIRKQVAPFLDFDCGENSAIAANNYDWFGNMNVLTFLRDIGKHFSVNQMINKEAVKQRLNREDQGISFTEFSYNLLQGYDFACLNKQYGVVLCIGGSDQWGNITSGIDLTRRLHQNQVFGLTVPLITKADGTKFGKTEGGAVWLDPKKTSPYKFYQFWINTADADVYRFLKFFTFMSIEEINALEEEDKNSGKAPRAQYVLAEQVTRLVHGEEGLQAAKR----------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WQ3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -160085 for 2573 contacts (-62.2/contact) +
2D Compatibility (PS) -33544 + (NN) -10072 + (LL) 5764
1D Compatibility (HY) -26000 + (ID) 7150
Total energy: -231087.0 ( -89.81 by residue)
QMean score : 0.572
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