Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKVMLIGAGPGDAQLLTVKGLAALQKADVIVYDRLVEPAMLQERKASCKLIYVGKEPLHHPIPQDEIERILVREAATNELVVRLKAGDPYVFGRGGEEGETLHKAGIPFEVIPGITSAIGGLAYAGIPVTHRDFASSFHVITGHLKKGRDP--LDWEALARLEGTLVFLMGMTNLPNICANLLEHGQKPETGVAIVQWATRGKQLTVTGNLQTIEQKVAESGISSPALIVVGDVVSLRPQLNFFEEMPLFHTKVLLPRARAGKSMLAEQIRDLGGEVTMYPNIQVLDVAPTKTKEQLSEVSELLFTSKEAVERFFDYLAKLDLDIRSLKNSHLTAIGKQTKEAFSEKGIIPDSFIKRRSTELILEHLPRLQKNVSNLIIGSVVDTTEVNVILADVKAIEMMPLYDMRPVTERPFDLESFEQVCFSSSRSVQNLLDVLTIEEKAILQTKTILSIGRFTSATLASFGMNNFIEAESATPESLIELIQKTKLEGVPQ |
1S4D Chain:K ((15-261)) | -GSVWLVGAGPGDPGLLTLHAANALRQADVIVHDALVNEDCLKLARPGAVLEFAGKRGG-PSPKQRDISLRLVELARAGNRVLRLKGGDPFVFGRGGEEALTLVEHQVPFRIVPGITAGIGGLAYAGIPVTHREVNHAVTFLTGHDSSGLVPDRINWQGIASGSPVIVMYMAMKHIGAITANLIAGGRSPDEPVAFVCNAATPQQAVLETTLARAEADVAAAGLEPPAIVVVGEVVRLRAALDWIGAL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1S4D.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -165357 for 2024 contacts (-81.7/contact) +
2D Compatibility (PS) -26348 + (NN) -11454 + (LL) 19968
1D Compatibility (HY) -22800 + (ID) 5200
Total energy: -211191.0 ( -104.34 by residue)
QMean score : 0.582
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