Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFVLNDDERVIVETAAAFAGKRLAPHALEWDAAKHFPVDVLREAAELGMAAIYCRDDVGGSGLRRLDGVRIFEQLAIADPVTAAFLSIHNMCAWMIDSFGTDEQRKDWIPRLATMGVIASYCLTEPGAGSDAGALSTRAVRHGSGKGGDYVLDGVKQFISGAAASDVYVVMARTGAEGPRGVSAFIVEKGTPGLSFGAPEAKMGWHAQPTAQVVLDGVRVPAEAMLGGADGEGAGFGIAMSGLNGGRLNIAACSLGGAQAAFDKAGAYVRDRQAFGGSLLDEPTVRFTLADMATGLQTSRMLLWRAASALDDDDADKVELCAMAKRYVTDTCFEVADQALQLHGGYGYLREYGLEKIVRDLRVHRILEGTNEIMRLVIGRAEAARFRATV |
3NF4 Chain:A ((15-386)) | --LPSQEAAELIELTREIADKVLDPIVDRHEKDETYPEGVFEQLGAAGLLSLPQPEEWGGGGQPYEVYLQVLEEIAARWASVAVAVSVHSLSSHPLLVFGTEEQKKRWLPGMLSGEQIGAYSLSEPQAGSDAAALRCAATPTD----GGYVINGSKSWITHGGKADFYTLFARTG---SRGVSCFLVPADQPGLSFGKPEEKMGLHAVPTTSAFYDNARIDADRRIG---EEGQGLQIAFSALDSGRLGIAAVATGLAQAALDEAVAYANE------KIIDH-GLGFLLADMAAAVATARATYLDAARRRDQG-RPYSQQASIAKLTATDAAMKVTTDAVQVFGGVGYTRDYRVERYMREAKIMQIFEGTNQIQRLVIARGLT------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NF4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -214562 for 3083 contacts (-69.6/contact) +
2D Compatibility (PS) -39929 + (NN) -22470 + (LL) 804
1D Compatibility (HY) -18000 + (ID) 6700
Total energy: -300857.0 ( -97.59 by residue)
QMean score : 0.450
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