Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTERILEVNDLHVSFDITAGEVQAVRGVDFYLNKGETLAIVGESGSGKSVTTKAITKLFQGDTGRIKKGEILFLGEDLAKKPENELIKLRGKDISMIFQDPMTSLNPTMQIGKQVMEPLIKHKNYSKAQAKKRALEILNLVGLPNAEKRFKAYPHQFSGGQRQRIVIATALACEPKVLIADEPTTALDVTMQAQILDLMKELQQKIDTAIIFITHDLGVVANIADRVAVMYGGQMVETGDVNEIFYDPKHPYTWGLLSSMPDLSTTNDTPLLAIPGAPPDLLHPPKGDAFARRSQYALDIDFKVEPPWFKVSPTHFVKSWLLDARAPKVELPELVKQRMKPMPNNYEKPLKVERVSFNEK |
3C41 Chain:J ((2-241)) | ---QMIDVHQLKKSF----GSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFD-----EGEIIIDGINLKAKDTN-LNKVR-EEVGMVFQR--FNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKD---KAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVV-VTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKV---------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C41.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -126470 for 1986 contacts (-63.7/contact) +
2D Compatibility (PS) -25874 + (NN) -11107 + (LL) 6512
1D Compatibility (HY) -19600 + (ID) 4400
Total energy: -180939.0 ( -91.11 by residue)
QMean score : 0.475
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