Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKILLIGASGTLGSAVKDRLEK-KAEVITAGRHSG--------------DVTVDITSIDSIKKMYEQ----VGKVDAIVSATGSATFSPLTELTPEKNAVTISSKLGGQINLVLLGIDSLND-KGSFTLTTGIMMEDPIVQGASAAMANGAVTAFAKSAAIEM-P--RGIRINTVSPNVLEESWDKLE--S------------FFQGFVPVPAAKVARAFEKSVFGA---QTGESYKVY |
1HXH Chain:A ((7-245)) | KVALVTGGASGVGLEVVKLLLGEGAKVAFSDINEAAGQQLAAELGERSMFVRHDVSSEADWTLVMAAVQRRLGTLNVLVNNAGILLPGDMETGRLEDFSRLLKINTESVFIGCQQGIAAMKETGGSIINMASVSSWLPIEQYAGYSASKAAVSALTRAAALSCRKQGYAIRVNSIHPDGIYTPMMQASLPKGVSKEMVLHDPKLNRAGRAYMPERIAQLVLFLASDESSVMSGSELHAD |
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General information:
TITO was launched using:
| RESULT:
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Template: 1HXH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -73480 for 1650 contacts (-44.5/contact) +
2D Compatibility (PS) -20968 + (NN) -3504 + (LL) 0
1D Compatibility (HY) -4400 + (ID) 1650
Total energy: -104002.0 ( -63.03 by residue)
QMean score : 0.440
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