Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKHKSEFLNFIQERGYLCQCTNIEGLDQLLLQNNYVVAYIGFDCTASSLHVGSLIQIMMLRHLQKFGYKPIVLLGGSTTKIGDPSGKDKARSVLPIEDINQNISGIKKALKKMVYFNDGKAGAIIVNNADWLDSIKYIDFLRDIGAHFSVNRMLSFDSAKTRLDREQNLSFLEFNYMLLQAYDFAELNKKYGCRLQIGGSDQWGNIVNGIELGKKL-NLPELFGLTTPLLLSAQGKKMGKTESGTVWLDGDMLKPYDYWQYFRNIDDQDIGRFLRFFTDLPIDEIKKLESLKNQ--EINEAKKALATEVTKICHGDKEAELAQSSAVSVFENGDSSLLPDYTITKKQVANGISLIDLLHDIGLEPSKGAAKRLIQGNGCKVNDYTINDINYIINSKSFKDQSFIKLSAGKKRHIKVMVS |
1JIJ Chain:A ((12-320)) | -------------RGLIYQQTDEQGIEDLL-NKEQVTLYCGADPTADSLHIGHLLPFLTLRRFQEHGHRPIVLIGGGTGMIGDPSGKSEERVLQTEEQVDKNIEGISKQMHNIFEFGT-DHGAVLVNNRDWLGQISLISFLRDYGKHVGVNYMLGKDSIQSRL--EHGISYTEFTYTILQAIDFGHLNRELNCKIQVGGSDQWGNITSGIELMRRMYGQTDAYGLTIPLVTKSDGKKFGKSESGAVWLDAEKTSPYEFYQFWINQSDEDVIKFLKYFTFLGKEEIDRLEQSKNEAPHLREAQKTLAEEVTKFIHGEDALNDAIRIS--------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1JIJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -154069 for 2417 contacts (-63.7/contact) +
2D Compatibility (PS) -32994 + (NN) -12321 + (LL) 6448
1D Compatibility (HY) -26000 + (ID) 7050
Total energy: -225986.0 ( -93.50 by residue)
QMean score : 0.513
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