Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKVMLIGAGPGDAQLLTVKGLAALQKADVIVYDRLVEPAMLQERKASCKLIYVGKEPLHHPIPQDEIERILVREAATNELVVRLKAGDPYVFGRGGEEGETLHKAGIPFEVIPGITSAIGGLAYAGIPVTHRDFASSFHVITGHLKKGRDPLDWEALARLEGTLVFLMGMTNLPNICANLLEHGQKPETGVAIVQWATRGKQLTVTGNLQTIEQKVAESGISSPALIVVGDVVSLRPQLNFFEEMPLFHTKVLLPRARAGKSMLAEQIRDLGGEVTMYPNIQVLDVAPTKTKEQLSEVSELLFTSKEAVERFFDYLAKLDLDIRSLKNSHLTAIGKQTKEAFSEKGIIPDSFIKRRSTELILEHLPRLQKNVSNLIIGSVVDTTEVNVILADVKAIEMMPLYDMRPVTERPFDLESFEQVCFSSSRSVQNLLDVLTIEEKAILQTKTILSIGRFTSATLASFGMNNFIEAESATPESLIELIQKTKLEGVPQ |
2YBQ Chain:A ((23-270)) | -GSVALVGAGPGDPGLLTLRAWALLQQAEVVVYDRLVARELIALLPESCQRIYVG--------PQEEINELLVRLARQQRRVVRLKGGDPFIFGRGAEELERLLEAGVDCQVVPGVTAASGCSTYAGIPLTHRDLAQSCTFVTGHLQ---LDLDWAGLARGKQTLVFYMGLGNLAEIAARLVEHGLASDTPAALVSQGTQAGQQVTRGALAELPALARRYQLKPPTLIVVGQVVAL------FAERAMAHPSYL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YBQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -179627 for 1931 contacts (-93.0/contact) +
2D Compatibility (PS) -25573 + (NN) -7745 + (LL) 19884
1D Compatibility (HY) -23600 + (ID) 5800
Total energy: -222461.0 ( -115.21 by residue)
QMean score : 0.615
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