Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVEPQEGKTRFHDFNLAPSLMHAIHDLGFPYCTPIQAQVLGFTLRGQDAIGRAQTGTGKTAAFLISIITQLLQTPPPKERYMGEPRALIIAPTRELVVQIAKDAAALTKYTGLNVMTFVGGMDFDKQLKQLEARFCDILVATPGRLLDFNQRGEVHLDMVEVMVLDEADRMLDMGFIPQVRQIIRQTPHKGERQTLLFSATFTDDVMNLAKQWTVDPAIVEIEPENVASDTVEQHVYAVAGSD-KYKLLYNLVAQNNWERVMVFANRKDEVRRIEERLTKDGISAAQMSGDVPQHKRIRTLEGFREGKIRVLVATDVAGRGIHIDGISHVINFTLPEDPDDYVHRIGRTGRAGASGTSISFAGEDDAFALPPIEELLGRKITCEMPPAELLKPVPRKH |
2HYI Chain:C ((40-404)) | ----------FDTMGLREDLLRGIYAYGFEKPSAIQQRAIKQIIKGRDVIAQSQSGTGKTATFSISV----LQCLDIQVR---ETQALILAPTRELAVQIQKGLLALGDYMNVQCHACIGGTNVGEDIRKLDYG-QHVVAGTPGRVFDMIRRRSLRTRAIKMLVLDEADEMLNKGFKEQIYDVYRYLPPAT--QVVLISATLPHEILEMTNKFMTDPIRILVKRDELTLEGIKQFFVAVEREEWKFDTLCDLYDTLTITQAVIFCNTKRKVDWLTEKMREANFTVSSMHGDMPQKERESIMKEFRSGASRVLISTDVWARGLDVPQVSLIINYDLPNNRELYIHRIGRSGRYGRKGVAINFVKNDDIRILRDIEQYYSTQID-EMP------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HYI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -256431 for 3185 contacts (-80.5/contact) +
2D Compatibility (PS) -39875 + (NN) -21379 + (LL) 2348
1D Compatibility (HY) -32400 + (ID) 6200
Total energy: -353937.0 ( -111.13 by residue)
QMean score : 0.570
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