Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKQIQTEADELGFFGEYGGQYVPETLMPAIIELKKAYKEAKADPEFQRELEYYLSEYVGRATPLTYAASYTESLGGAKIYLKREDLNHTGAHKINNALGQALLAKRMGKKKLVAETGAGQHGVASATVAALFDMELVVFMGSEDIKR--QQLNVFRMELLGAKVVAVEEGQGTLSDAVNKALQYWVSHVDDTHYLLGSALGPDPFPTIVRDFQSVIGKEIKSQILKKEGRLPDAIVACIGGGSNAIGTFYPFIKD---DVALYGVEAAGQGEDTDKHALAIGKGSPGVLHGTKMYLIQDEGGQVQLAHSISAGLDYPGIGPEHSYYHDIGRVTFENASDTQAMNALINFTKHEGIIPAIESAHALSYVERLAPTMSKEDIIVVTISGRGDKDMETIRQYMAERGLAND |
1X1Q Chain:A ((22-416)) | ------PLPDARGRFGPYGGRYVPETLIPALEELEAAYREAKKDPAFLEELDHYLRQFAGRPTPLYHAKRLSEYWGGAQVFLKREDLLHTGAHKINNTLGQALLARRMGKRRVIAETGAGQHGVSVATVAALFGLECVVYMGEEDVRRQALN--VFRMKLLGAEVRPVAAGSRTLKDATNEAIRDWITNVRTTFYILGSVVGPHPYPMMVRDFQSVIGEEVKRQSLELFGRLPDALIAAVGGGSNAIGLFAPFAYLPEGRPKLIGVEAAGEGLSTGRHAASIGAGKRGVLHGSYMYLLYD----------------YPGVGPEHSYYADAGVAEYASVTDEEALEGFKLLARLEGIIPALESAHAIAYAAKVVPEMDKDQVVVINLSGRGDKDVTEVMRLLGG------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1X1Q.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -144849 for 3533 contacts (-41.0/contact) +
2D Compatibility (PS) -40952 + (NN) -20933 + (LL) 1600
1D Compatibility (HY) -34000 + (ID) 10450
Total energy: -249584.0 ( -70.64 by residue)
QMean score : 0.602
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