Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIREDEVRKLVGEMREPFLQRPLGELDAVKEIKIKPEKRHISVKVALAKTGTAEQMQIQQEIVNVLKGAGAETVGLRFEELPEETVAKFRAPSAEKKTLLNMDNPPVFLAVASGKGGVGKSTVSVNLAISLARLGKKVGLIDADIYGFSVPDMMGITVRPTIEGEK-LLPVERFGVKVMSMGFFVEENAPVVWRGPMLGKMLNNFFHEVEWGEVDYIVLDLPPGTGDVALDVHTMLPSCKEIIVSTPHPTAAFVAARAGSMAIKTDHEVVGVIENMAYYESAKTGEREYVFGKGGGDKLAEELNVPLLGRIPLKQPDWDKDQFAPSVYDENHPIGEIYQDIAKKIDAKMSVQV |
5AUP Chain:I ((21-223)) | -----------------------------------------------------------------------------------------------------------IIPVVSGKGGVGKSLVSTTLALVLAEKGYRVGLLDLDFHGASDHVILGFEPKEFPEEDRGVVPPTVHGIKFMTIAYYTEDR-PTPLRGKEISDALIELLTITRWDELDYLVIDMPPGLGDQLLDVLRFLKRGEFLVVATPSKLSLNVVRKLIELLKEEGHKVIGVVENMKLR-------KDV-------EKLAEEFGVPYLVGIPF-YPDLD---------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 5AUP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156584 for 1540 contacts (-101.7/contact) +
2D Compatibility (PS) -20547 + (NN) -4544 + (LL) 11260
1D Compatibility (HY) -15600 + (ID) 3700
Total energy: -189715.0 ( -123.19 by residue)
QMean score : 0.507
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