Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVEPQEGKTRFHDFNLAPSLMHAIHDLGFPYCTPIQAQVLGFTLRGQDAIGRAQTGTGKTAAFLISIITQLLQTPPPKERYMGEPRALIIAPTRELVVQIAKDAAALTKYTGLNVMTFVGGMDFDKQLKQLEARFCDILVATPGRLLDFNQRGEVHLDMVEVMVLDEADRMLDMGFIPQVRQIIRQTPHKGERQTLLFSATFTDDVMNLAKQWTVDPAIVEIEPENVASDTVEQHVYAVAGSD-KYKLLYNLVAQNNWERVMVFANRKDEVRRIEERLTKDGISAAQMSGDVPQHKRIRTLEGFREGKIRVLVATDVAGRGIHIDGISHVINFTLPEDPDDYVHRIGRTGRAGASGTSISFAGEDDAFALPPIEELLGRKITCEMPPAELLKPVPRKH |
3EX7 Chain:C ((40-404)) | ----------FDTMGLREDLLRGIYAYGFEKPSAIQQRAIKQIIKGRDVIAQSQSGTGKTATFSISV----LQCLDIQVR---ETQALILAPTRELAVQIQKGLLALGDYMNVQCHACIGGTNVGEDIRKLDYG-QHVVAGTPGRVFDMIRRRSLRTRAIKMLVLDEADEMLNKGFKEQIYDVYRYLPPAT--QVVLISATLPHEILEMTNKFMTDPIRILVKRDELTLEGIKQFFVAVEREEWKFDTLCDLYDTLTITQAVIFCNTKRKVDWLTEKMREANFTVSSMHGDMPQKERESIMKEFRSGASRVLISTDVWARGLDVPQVSLIINYDLPNNRELYIHRIGRSGRYGRKGVAINFVKNDDIRILRDIEQYYSTQID-EMP------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3EX7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -258107 for 3192 contacts (-80.9/contact) +
2D Compatibility (PS) -39728 + (NN) -23329 + (LL) 2348
1D Compatibility (HY) -32400 + (ID) 6200
Total energy: -357416.0 ( -111.97 by residue)
QMean score : 0.584
|
|
|