Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKVMLIGAGPGDAQLLTVKGLAALQKADVIVYDRLVEPAMLQERKASCKLIYVGKEPLHHPIPQDEIERILVREAATNELVVRLKAGDPYVFGRGGEEGETLHKAGIPFEVIPGITSAIGGLAYAGIPVTHRDFASSFHVITGHLKKGRDP-LDWEALARLEGTLVFLMGMTNLPNICANLLEHGQKPETGVAIVQWATRGKQLTVTGNLQTIEQKVAESGISSPALIVVGDVVSLRPQLNFFEEMPLFHTKVLLPRARAGKSMLAEQIRDLGGEVTMYPNIQVLDVAPTKTKEQLSEVSELLFTSKEAVERFFDYLAKLDLDIRSLKNSHLTAIGKQTKEAFSEKGIIPDSFIKRRSTELILEHLPRLQKNVSNLIIGSVVDTTEVNVILADVKAIEMMPLYDMRPVTERPFDLESFEQVCFSSSRSVQNLLDVLTIEEKAILQTKTILSIGRFTSATLASFGMNNFIEAESATPESLIELIQKTKLEGVPQ |
1S4D Chain:J ((15-261)) | -GSVWLVGAGPGDPGLLTLHAANALRQADVIVHDALVNEDCLKLARPGAVLEFAGK----PSPKQRDISLRLVELARAGNRVLRLKGGDPFVFGRGGEEALTLVEHQVPFRIVPGITAGIGGLAYAGIPVTHREVNHAVTFLTGHD------RINWQGIASGSPVIVMYMAMKHIGAITANLIAGGRSPDEPVAFVCNAATPQQAVLETTLARAEADVAAAGLEPPAIVVVGEVVRLRAALDWIGAL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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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) -180951 for 1965 contacts (-92.1/contact) +
2D Compatibility (PS) -25659 + (NN) -10790 + (LL) 19948
1D Compatibility (HY) -23200 + (ID) 5100
Total energy: -225752.0 ( -114.89 by residue)
QMean score : 0.582
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