Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLQRGAGQYFAGKRCFVTGAASGIGRATALRLAAQGAELYLTD----------------RDRDGLAQTVCDA--RALGAQVPEHRVLDVSDYQDVAAFAADIHARHPSMDVVLNIAGVSAWGTVDQLTHDQWSRMVAINLMGPIHVIETLVPPMVAAGRGGHLVNVSSAAGLVGLPWHAAYSASKYGLRGLSEVLRFDLARHGIGVSVVVPGAVKTPLVNTVEIAGVDRDDPRVNRWVERFSGHAVTPEKAADKILAGVTRNRYLVYTSADIRALYAFKRYAWWPYTLVMRRVNVFFTRALRPGP |
| 3PGX Chain:D ((11-217)) | -------GSLQGRVAFITGAARGQGRSHAVRLAAEGADIIACDICAPVSASVTYAPASPEDLDETARLVEDQGRKAL------TRVLDVRDDAALRELVADGMEQFGRLDVVVANAGVLSWGRVWELTDEQWDTVIGVNLTGTWRTLRATVPAMIEAGNGGSIVVVSSSAGLKATPGNGHYSASKHGLTALTNTLAIELGEYGIRVNSIHPYSVETPMIE------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PGX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136180 for 1589 contacts (-85.7/contact) +
2D Compatibility (PS) -19902 + (NN) -2494 + (LL) 7164
1D Compatibility (HY) -11600 + (ID) 4000
Total energy: -167012.0 ( -105.11 by residue)
QMean score : 0.553
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