Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKQIQTEADELGFFGEYGGQYVPETLMPAIIELKKAYKEAKADPEFQRELEYYLSEYVGRATPLTYAASYTESLGGAKIYLKREDLNHTGAHKINNALGQALLAKRMGKKKLVAETGAGQHGVASATVAALFDMELVVFMGSEDIKRQQLNVFRMELLGAKVVAVEEGQGTLSDAVNKALQYWVSHVDDTHYLLGSALGPDPFPTIVRDFQSVIGKEIKSQILKKEGRLPDAIVACIGGGSNAIGTFYPFIKD-DVALYGVEAAGQGEDTDKHALAIGKGSPGVLHGTKMYLIQDEGGQVQLAHSISAGLDYPGIGPEHSYYHDIGRVTFENASDTQAMNALINFTKHEGIIPAIESAHALSYVERLAPTMSKEDIIVVTISGRGDKDMETIRQYMAERGLAND |
1WDW Chain:B ((2-381)) | -------------WFGEFGGQYVPETLIEPLKELEKAYKRFKDDEEFNRQLNYYLKTWAGRPTPLYYAKRLTEKIGGAKIYLKREDLVHGGAHKTNNAIGQALLAKFMGKTRLIAETGAGQHGVATAMAGALLGMKVDIYMGAEDVERQKMNVFRMKLLGANVIPVNSGSRTLKDAINEALRDWVATFEYTHYLIGSVVGPHPYPTIVRDFQSVIGREAKAQILEAEGQLPDVIVACVGGGSNAMGIFYPFVNDKKVKLVGVEAGGKGLESGKHSASLNAGQVGVFHGMLSYFLQDEEGQIKPTHSIAPGLDYPGVGPEHAYLKKIQRAEYVTVTDEEALKAFHELSRTEGIIPALESAHAVAYAMKLAKEMSRDEIIIVNLSGRGDKDLDIV------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WDW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -154122 for 3677 contacts (-41.9/contact) +
2D Compatibility (PS) -41452 + (NN) -17771 + (LL) 1828
1D Compatibility (HY) -39600 + (ID) 11100
Total energy: -262217.0 ( -71.31 by residue)
QMean score : 0.509
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