Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVEPQEGKTRFHDFNLAPSLMHAIHDLGFPYCTPIQAQVLGFTLRG--QDAIGRAQTGTGKTAAFLISIITQLLQTPPPKERYMGEPRALIIAPTRELVVQIAKDAAALTK-YTGLNVMTFVGGMDFDKQLKQLEARFCDILVATPGRLLDFNQRGE-VHLDMVEVMVLDEADRML-DMGFIPQVRQIIRQTPHKGERQTLLFSATFTDDVMNLAKQWTVDPAIVEIEPENVASDTVEQHVYAVAGSD-KYKLLYNLVAQNNWERVMVFANRKDEVRRIEERLTKDGISAAQMSGDVPQHKRIRTLEGFREGKIRVLVATDVAGRGIHIDGISHVINFTLPED----PDD--YVHRIGRTGRAGASGTSISFAGEDDAFA-LPPIEELLGRKITCEMPPAELLKPVPRKH |
3EWS Chain:A ((64-433)) | ----------FEELRLKPQLLQGVYAMGFNRPSKIQENALPLMLAEPPQNLIAQSQSGTGKTAAFVLAMLSQV----EPANKY---PQCLCLSPTYELALQTGKVIEQMGKFYPELKLAYAVRGNKLERGQKISE----QIVIGTPGTVLDWCSKLKFIDPKKIKVFVLDEADVMIATQGHQDQSIRIQRMLPRNC--QMLLFSATFEDSVWKFAQKVVPDPNVIKLKREEETLDTIKQYYVLCSSRDEKFQALCNLYGAITIAQAMIFCHTRKTASWLAAELSKEGHQVALLSGEMMVEQRAAVIERFREGKEKVLVTTNVCARGIDVEQVSVVINFDLPVDKDGNPDNETYLHRIGR----GKRGLAVNMVDSKHSMNILNRIQEHFNKKI----------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EWS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -250528 for 2793 contacts (-89.7/contact) +
2D Compatibility (PS) -38290 + (NN) -18159 + (LL) 2664
1D Compatibility (HY) -28400 + (ID) 6300
Total energy: -339013.0 ( -121.38 by residue)
QMean score : 0.552
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