Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKVMLIGAGPGDAQLLTVKGLAALQKADVIVYDRLVEPAMLQERKASCKLIYVGKEPLHHPIPQDEIERILVREAATNELVVRLKAGDPYVFGRGGEEGETLHKAGIPFEVIPGITSAIGGLAYAGIPVTHRDFASSFHVITGHLKKGRDPLDWEALARLEGTLVFLMGMTNLPNICANLLEHGQKPETGVAIVQWATRGKQLTVTGNLQTIEQKVAESGISSPALIVVGDVVSLRPQLNFFEEMPLFHTKVLLPRARAGKSMLAEQIRDLGGEVTMYPNIQVLDVAPTKTKEQLSEVSELLFTSKEAVERFFDYLAKLDLDIRSLKNSHLTAIGKQTKEAFSEKGIIPDSFIKRRSTELILEHLPRLQKNVSNLIIGSVVDTTEVNVILADVKAIEMMPLYDMRPVTERPFDLESFEQVCFSSSRSVQNLLDVLTIEEKAILQTKTILSIGRFTSATLASFGMNNFIEAESATPESLIELIQKTKLEGVPQ |
1V9A Chain:B ((1-224)) | -GRVYLVGAGPGDPELLTLKAYRLLKEAPVVLYDRLVDERVLA--LAPGEKVYVGK----------EIHRLLLRHARAHPFVVRLKGGDPMVFGRGGEEVLFLLRHGVPVEVVPGVTS----LLASGLPLTHRGLAHGFAAVSGVLEGGGYP-DLRPFARVP-TLVVLMGVGRRVWIAKELLRLGRDPREPTLFVERASTPKERRVHARLEEVAEGKVE--VRPPALWILGEVVRV----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1V9A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169580 for 1790 contacts (-94.7/contact) +
2D Compatibility (PS) -23088 + (NN) -6289 + (LL) 20988
1D Compatibility (HY) -23600 + (ID) 4750
Total energy: -206319.0 ( -115.26 by residue)
QMean score : 0.633
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