Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRLPANLGRLLPALCLGVLLSACSTFGQRDPLRIDLVGLEPLPGQGMEMRFMVKLRVQNPNDEPIEYNGIALDLDVNGQPLASGVSDQTGEVPRFGERVVSVPLTVSAFSAFRQAWGLSNNAPTQGMPYVVKGKLA--GGLF-GTVRFSEKG-TLDFSGPAVGAPKTKGL |
3BUT Chain:A ((0-125)) | --------------------------------SLESVKAMWGVVTDSQTEIVALAKVRNEDVVPIVVSGYHYTIEMNGVKVADGYENSPVTVKPASATTLKFSLRLNNSFLREWWVTHIAN--GEKTKIRVAIKPTIEIG-RDVEVPVFLRESEFTTKLL---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BUT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -6115 for 742 contacts (-8.2/contact) +
2D Compatibility (PS) -12116 + (NN) 447 + (LL) 2108
1D Compatibility (HY) 3600 + (ID) 300
Total energy: -12376.0 ( -16.68 by residue)
QMean score : -0.094
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