Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNLFDTLTLPNGSTIPNRLAKAAMEENMADAAQAPSERLMRL-YQAWADGGAGLLISGNVMVDSRAMTGPGGVVLEDDAQLEKFRRWARIGRSAGAQFWLQINHPGRQMQANLGQQAWAPSAVPLELGGMSRHFATPKAMDEAMIAEVIQRFARSAGLAERAGFSGVEIHAAHGYLLSQFLSPLSNRRSDAWGGSLENRARLLLEIVRAVRAEVAPGFAVAVKLNSADFQRGGFSADDAREVVRMLDGLGVDLVELSGGSYEAPAMQGEARDGRTLAREAYFVEFARDIRAAARMPVMVTGGIRRRPVAEQVLASG-VDMVGIGTALAIEPNLPRDWRAGKDSAPQLRPITWRNKPLASLANMAAVKFQLRKLSRGRATNPRVSPLCALLAQQAGALLQTRRYRRLMRSRAEA |
3GR8 Chain:A ((5-317)) | --LFSPYTI-RGLTLKNRIVMSPMCMYSCDTKDGAVRTWHKIHYPARAVGQVGLIIVEATGVTPQGRISERDLGIWSDDHIAGLRELVGLVKEHGAAIGIQLAHAGRKSQ--VPGEIIAPSAVPFDDSS-----PTPKEMTKADIEETVQAFQNGARRAKEAGFDVIEIHAAHGYLINEFLSPLSNRRQDEYGGSPENRYRFLGEVIDAVR-EVWDG-PLFVRISASDYHPDGLTAKDYVPYAKRMKEQGVDLVDVSSGAI-VPA--------RMNVYPGYQVPFAELIRREADIPTGAVGLITSGWQAEEILQNGRADLVFLGRELLRNPYWP------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GR8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -196526 for 2852 contacts (-68.9/contact) +
2D Compatibility (PS) -33724 + (NN) -19648 + (LL) 7316
1D Compatibility (HY) -18400 + (ID) 5750
Total energy: -266732.0 ( -93.52 by residue)
QMean score : 0.547
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