Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSAAIAEPTSHDPDSGGHFGGPSGWGGRYVPEALMAVIEEVTAAYQKERVSQDFLDDLDRLQANYAGRPSPLYEATRLSQHAGSARIFLKREDLNHTGSHKINNVLGQALLARRMGKTRVIAETGAGQHGVATATACALLGLDCVIYMGGIDTARQALNVARMRLLGAEVVAVQTGSKTLKDAINEAFRDWVANADNTYYCFGTAAGPHPFPTMVRDFQRIIGMEARVQIQGQAGRLPDAVVACVGGGSNAIGIFHAFLDDPGVRLVGFEAAGDGVETGRHAATFTAGSPGAFHGSFSYLLQDEDGQTIESHSISAGLDYPGVGPEHAWLKEAGRVDYRPITDSEAMDAFGLLCRMEGIIPAIESAHAVAGALKLGVELGRGAVIVVNLSGRGDKDVETAAKWFGLLGND |
| 4NEG Chain:A ((23-397)) | -----------------------------VPETLMQSVLELEEAYKEAMEDEAFQKELNHYLKTYVGRETPLYFAENMTEYCGGAKIYLKREDLNHTGAHKINNTIGQALLAVRMGKKKVVAETGAGQHGVATATVCALLGLECVIFMGEEDVRRQKLNVFRMELLGAKVESVAAG--TLKDAVNEALRYWVSHVHDTHYIMGSVLGPHPFPQIVRDFQSVIGNETKKQYEALEGKLPEAVVACIGGGSNAMGMFYPFVHDEEVALYGVEAAG---------------------------------------------DY------HSLLKDIGRVSYHSITDDEALEAFQLLTKKEGIIPALESSHAVAYALKLAPQMKEDEGLVICLSGRGDKDVESIKRYM------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NEG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -180301 for 2912 contacts (-61.9/contact) +
2D Compatibility (PS) -36196 + (NN) -24107 + (LL) 828
1D Compatibility (HY) -32400 + (ID) 9250
Total energy: -281426.0 ( -96.64 by residue)
QMean score : 0.543
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