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 |
3FHT Chain:B ((27-396)) | ----------FEELRLKPQLLQGVYAMGFNRPSKIQENALPLMLAEPPQNLIAQSQSGTGKTAAFVLAMLSQV----EPANKY---PQCLCLSPTYELALQTGKVIEQMGKFYPELKLAYAVRGN------KISE----QIVIGTPGTVLDWCSKLKFIDPKKIKVFVLDEADVMIATQGHQDQSIRIQRMLPRNC--QMLLFSATFEDSVWKFAQKVVPDPNVIKLKREEETLDTIKQYYVLCSSRDEKFQALCNLYGAITIAQAMIFCHTRKTASWLAAELSKEGHQVALLSGEMMVEQRAAVIERFREGKEKVLVTTNVCARGIDVEQVSVVINFDLPVDKDGNPDNETYLHRIGRTGRFGKRGLAVNMVDSKHSMNILNRIQEHFNKKI----------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3FHT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -265038 for 2974 contacts (-89.1/contact) +
2D Compatibility (PS) -37948 + (NN) -18226 + (LL) 2880
1D Compatibility (HY) -28400 + (ID) 6450
Total energy: -353182.0 ( -118.76 by residue)
QMean score : 0.560
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