Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVEPQEGKTRFHDFNLAPSLMHAIHDLGFPYCTPIQAQVLGFTLRGQDAIGRAQTGTGKTAAFLISIITQLLQTPPPKERYMGEPRALIIAPTRELVVQIAKDAAALTKYTGLNVMTFVGGMDFDKQLKQLEARFCDILVATPGRLLDFNQRGEVHLDMVEVMVLDEADRMLDMGFIPQVRQIIRQTPHKGERQTLLFSATFTDDVMNLAKQWTVDPAIVEIEPENVASDTVEQHVYAVAGSDKYKLLYNLVAQNNWERVMVFANRKDEVRRIEERLTKDGISAAQMSGDVPQHKRIRTLEGFREGKIRVLVATDVAGRGIHIDGISHVINFTLPEDPDDYVHRIGRTGRAGASGTSISFAGED-DAFALPPIEELLGRKITCEMPPAELLKPVPRKH |
2DB3 Chain:A ((54-420)) | ------PIQHFTSADLRDIIIDNVNKSGYKIPTPIQKCSIPVISSGRDLMACAQTGSGKTAAFLLPILSKLLEDPHE--LELGRPQVVIVSPTRELAIQIFNEARKFAFESYLKIGIVYGGTSFRHQNECI-TRGCHVVIATPGRLLDFVDRTFITFEDTRFVVLDEADRMLDMGFSEDMRRIMTHVTMRPEHQTLMFSATFPEEIQRMAGEFLKNYVFVAIGIVGGACSDVKQTIYEVNKYAKRSKLIEILSE-QADGTIVFVETKRGADFLASFLSEKEFPTTSIHGDRLQSQREQALRDFKNGSMKVLIATSVASRGLDIKNIKHVINYDMPSKIDDYVHRIGRTGRVGNNGRATSFFDPEKDRAIAADLVKIL--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DB3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -247752 for 3233 contacts (-76.6/contact) +
2D Compatibility (PS) -39414 + (NN) -17806 + (LL) 1900
1D Compatibility (HY) -28000 + (ID) 6500
Total energy: -337572.0 ( -104.41 by residue)
QMean score : 0.548
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