Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIREDEVRKLVGEMREPFLQRPLGELDAVKEIKIKPEKRHISVKVALAKTGTAEQMQIQQEIVNVLKGAGAETVGLRFEELPEETVAKFRAPSAEKKTLLNMDNPPVFLAVASGKGGVGKSTVSVNLAISLARLGKKVGLIDADIYGFSVPDMMGIT-VRPT-IEGEKLLPVERFGVKVMSMGFFVEENAPVVWRGPMLGKMLNNFFHEVEWGEVDYIVLDLPPGTGDVALDVHTMLPSCKEIIVSTPHPTAAFVAARAGSMAIKTDHEVVGVIENMAYYESAKTGEREYVFGKGGGDKLAEELNVPLLGRIPLKQPDWD-KDQFAPSVYDENHPIGEIYQDIAKKIDAKMSVQV |
5AUN Chain:B ((16-248)) | ------------------------------------------------------------------------------------------------------EGVKRIIPVVSGKGGVGKSLVSTTLALVLAEKGYRVGLLDLDFHGASDHVILGFEPKEFPEEDRGVV-PPTVHGIKFMTIAYYTED-RPTPLRGKEISDALIELLTITRWDELDYLVIDMPPGLGDQLLDVLRFLKRGEFLVVATPSKLSLNVVRKLIELLKEEGHKVIGVVENMKL---------------KDVEKLAEEFGVPYLVGIPFYPDLDAKVGNVEELM---KTEFAGKVRELAGRL-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 5AUN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -148808 for 1837 contacts (-81.0/contact) +
2D Compatibility (PS) -23520 + (NN) -5567 + (LL) 10908
1D Compatibility (HY) -16000 + (ID) 3550
Total energy: -186537.0 ( -101.54 by residue)
QMean score : 0.562
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