Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MIREDEVRKLVGEMREPFLQRPLGELDAVKEIKIKPEKRHISVKVALAKTGTAEQMQIQQEIVNVLKGAGAETVGLRFEELPEETVAKFRAPSAEKKTLLNMDNPPVFLAVASGKGGVGKSTVSVNLAISLARLGKKVGLIDADIYGFSVPDMMGITVRPTIEGEK-LLPVERFGVKVMSMGFFVEENAPVVWRGPMLGKMLNNFFHEVEWGEVDYIVLDLPPGTGDVALDVHTMLPSCKEIIVSTPHPTAAFVAARAGSMAIKTDHEVVGVIENMAYYESAKTGEREYVFGKGGGDKLAEELNVPLLGRIPLKQPDWDKDQFAPSVYDENHPIGEIYQDIAKKIDAKMSVQV |
| 5AUO Chain:B ((21-223)) | -----------------------------------------------------------------------------------------------------------IIPVVSGKGGVGKSLVSTTLALVLAEKGYRVGLLDLDFHGASDHVILGFEPKEFPEEDRGVVPPTVHGIKFMTIAYYTEDR-PTPLRGKEISDALIELLTITRWDELDYLVIDMPPGLGDQLLDVLRFLKRGEFLVVATPSKLSLNVVRKLIELLKEEGHKVIGVVENMKL--------KDV-------EKLAEEFGVPYLVGIPF-YPDLD---------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 5AUO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157597 for 1530 contacts (-103.0/contact) +
2D Compatibility (PS) -20337 + (NN) -2852 + (LL) 11352
1D Compatibility (HY) -16000 + (ID) 3700
Total energy: -189134.0 ( -123.62 by residue)
QMean score : 0.569
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