Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRIEHDFIGQMEISDEVYYGIQTLRASENFFITNDKLCSYPVFIKSFAQVKKAAALANAQLGLIDEKLKIAICHACDLLVDGKYHDQFIVDMIQGGAGTSTNMNMNEVIANLALEYMGHQKGEYQFCHPNDHVNRSQSTNDAYPSALKIAIYERL-SNLVAPMKALRDAFAQKAKEFAHVIKMGRTQLQDAVPMTLGQEFETYALMVDRDIEQVLDARNWVRELNLGGTVIGTGINSHPDYRSLIEKKIQEVTGRPFVMANNLIEATQSTGAYVQVSGVLKRIAVKLSKVCNDLRLLSSGPRAGLNEINLPKMQPGSSIMPGKVNPVIPEVVNQVCFAVIGNDLSVALAAEGGQLQLNVFEPVIAYKLFHSFVILGRAIETLTTKCVEGITANEKICHDYVFNSIGIVTALNPHIGYEKSAMIAKEALKSDRSIYDIALEKKILTKEQLDDIFKPENMLSPHAFKKHKD |
3TV2 Chain:A ((1-457)) | -RMERDTFGEIAVPAARLWGAQTQRSLQNFKISTEK--QSPELIHALALIKRAAAAVNLELGVLAQDKANAIVAAADEIIAGRHADEFPLAVWQTGSGTQTNMNLNEVIANRASELLGGERGESRAVHPNDDVNRGQSSNDVFPTAMHIAAARAIVDHLLPALRTLRATLDAKAAAFADIVKIGRTHLQDATPLTLGQEFSGYVAQLDQGIRHVEAALPHLYELAQGGTAVGTGLNAHPKFAAGVAAEIGRLTGLPFVSAPNKFEVMAAADALVFAHGALKTVAASLMKIANDIRWLASGPRCGLGELSIPENEPGSSIMPGKVNPTQSEAVTMLCCQVFGNDVAVNFGGASGNFELNVFRPMIAHNVLQSVRLLADGAQGFNDHCAVGIEPNRARIDALLNESLMLVTALNPHIGYDKAAQIAKKAHKEGTTLKAAALALGYVTDAQFDEWVRPEHMVG--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TV2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -236497 for 3965 contacts (-59.6/contact) +
2D Compatibility (PS) -49213 + (NN) -19953 + (LL) 780
1D Compatibility (HY) -28800 + (ID) 9500
Total energy: -343183.0 ( -86.55 by residue)
QMean score : 0.470
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