Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRPTNNKFILPIITFIIFLGIWEMVIIIGHYQPVLLPGPALVGKSIWTFIVTGEIFQHLAISLWRFVAGFVVALLVAIPLGFLLGRNRWLYNAIEPLFQLIRPISPIAWAPFVVLWFGIGSLPAIAIIFIAAFFPIVFNTIKGVRDIEPQYLKIAANLNLTGWSLYRNILFPGAFKQIMAGIHMAVGTSWIFLVSGEMIGAQSGLGFLIVDARNMLNLEDVLAAIFFIGLFGFIIDRFISYIEQFILRRFGE |
4LDL Chain:B ((31-104)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------LNIMGW--YRQA--PGKQRELVAAIHSGGTTNYANSVKGRFTISRDNAANTVYLQMNSLKPEDTAVYYCNVKDFGAII----------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4LDL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -32337 for 438 contacts (-73.8/contact) +
2D Compatibility (PS) -7441 + (NN) 2255 + (LL) 16460
1D Compatibility (HY) -400 + (ID) 1100
Total energy: -22563.0 ( -51.51 by residue)
QMean score : -0.169
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