Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LDKKFLLTNSTIGIIGGGQLGRMLALAAKAMGYRIIVLDPTADCPAAQVSDEQIIADYDDKVALRELSEKADVVTYEFENIDYDALKMTQN-LVS--VPQGSELLSITQDRILEKAYLESANINIAPYAVIVEQDEIENEIKSIGYPAVLKTA-QGGYDGKGQVVIHDARDIETAARLLRYGSCVLEAWIPFEKEISVVVARNLDGQIETFPVAENVHVNNILH-TTMVPADVAADVYEEAEEIARKLAEVLQLCGVLAVEMFVTKSGAIYVNELAPRPHNSGHFTIEACSISQFTQHIRAIVGLPLVKPELLKPAVMINILGQHVDAVNKQMVNYPHWFVHYYGKKEAKINRKMGHVTVLADEPKAVIQDLEETQIWK |
3ETH Chain:A ((1-339)) | --------MKQVCVLGNGQLGRMLRQAGEPLGIAVWPVGLDAEP-AAVP-------------------FQQSVITAEIERWP---ETALTRQLARHPAFVNRDVFPIIADRLTQKQLFDKLHLPTAPWQLLAERSEWPAVFDRLGELAIVKRRTGG-YDGRGQWRLRANETEQ-LPAE-CYGECIVEQGINFSGEVSLVGARGFDGSTVFYPLTHNLHQDGILRTSVAFPQ-ANAQQQARAEEMLSAIMQELGYVGVMAMECFVTP-QGLLINELAPRVHNSGHWTQNGASISQFELHLRAITDLPLPQPVVNNPSVMINLIGSDV--NY-DWLKLPLVHLHWYDK-EVRPGRKVGHLNLTDSDTSRLTATLEALIPLL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ETH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -191946 for 2741 contacts (-70.0/contact) +
2D Compatibility (PS) -36801 + (NN) -14491 + (LL) 2396
1D Compatibility (HY) -22400 + (ID) 5450
Total energy: -268692.0 ( -98.03 by residue)
QMean score : 0.459
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