Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTRQAAEADLAGKAAQYRPDELARYAQRVMDWLHPDGDLTDTERARKRGITLSNQQYDGMSRLSGYLTPQARATFEAVLAKLAAPGATNPDDHTPVIDTTPDAAAIDRDTRSQAQRNHDGLLAGLRALIASGKLGQHNGLPVSIVVTTTLTDLQTGAGKGFTGGGTLLPMADVIRMTSHAHHYSPASGRYPQAIFDHGTPLALYHTKRLASPAQRIMLFANDRGCTKPGCDAPAYHSQAHHVTAWTSTGRTDITELTLACGPDNRLAEKGWTTHNNTHGHTEWLPPPHLDHGQPRTNTFHHPERFLHNQDDDDKPD |
2KBR Chain:A ((1-80)) | -MDRKVAREFRHKVDFLIENDAEKDYLYDVLRMYHQTMDVAVLVGDLKLVIN-EPSRLPLFDAIRPLIPLKHQVEYDQLTPR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2KBR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -1499 for 500 contacts (-3.0/contact) +
2D Compatibility (PS) -9083 + (NN) -6027 + (LL) 9460
1D Compatibility (HY) -4800 + (ID) 450
Total energy: -12399.0 ( -24.80 by residue)
QMean score : 0.507
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