Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MVEPQEGKTRFHDFNLAPSLMHAIHDLGFPYCTPIQAQVLGFTLRG--QDAIGRAQTGTGKTAAFLISIITQLLQTPPPKERYMGEPRALIIAPTRELVVQIAKDAAALTKYTGLNVMTFVGGMDFDKQLKQLEARFCDILVATPGRLLDFNQRGEVHLDMVEVMVLDEADRMLDM-GFIPQVRQIIRQTPHKGERQTLLFSATFTDDVMNLAKQWTVDPAIVEIEPENVASDTVEQ-HVYAVAGSDKYKLLYNLVAQNNWERVMVFANRKDEVRRIEERLTKDGISAAQMSGDVPQHKRIRTLEGFREGKIRVLVATDVAGRGIHIDGISHVINFTLPE------DPDDYVHRIGRTGRAGASGTSISFAGEDDAFA-LPPIEELLGRKITCEMPPAELLKPVPRKH |
| 3PEY Chain:A ((7-370)) | ----------FDELGLAPELLKGIYAMKFQKPSKIQERALPLLLHNPPRNMIAQSQSGTGKTAAFSLTMLTRV----NPED---ASPQAICLAPSRELARQTLEVVQEMGKFTKITSQLIVPD-SFEKN-KQINAQ---VIVGTPGTVLDLMRRKLMQLQKIKIFVLDEADNMLDQQGLGDQCIRVKRFLPK--DTQLVLFSATFADAVRQYAKKIVPNANTLELQTNEVNVDAIKQLYMDCKNEADKFDVLTELYGLMTIGSSIIFVATKKTANVLYGKLKSEGHEVSILHGDLQTQERDRLIDDFREGRSKVLITTNVLARGIDIPTVSMVVNYDLPTLANGQADPATYIHRIGRTGRFGRKGVAISFVHDKNSFNILSAIQKYFG-------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PEY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -259266 for 3053 contacts (-84.9/contact) +
2D Compatibility (PS) -38137 + (NN) -17630 + (LL) 2920
1D Compatibility (HY) -28400 + (ID) 6200
Total energy: -346713.0 ( -113.56 by residue)
QMean score : 0.515
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