Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTALNRAVASARVGTEVIRVRGLTFRYPKAAEPAVRGMEFTVGRGEIFGLLGPSGAGKSTTQKLLIGLLRDHGGQATVWD----KEPAEWGPDYYERIGVSFELPNHYQKLTGYENLRFFASLYA------GATADPMQLLAAVGLADDAHTLVGKYSKGMQMRLPFARSLINDPELLFLDEPTSGLDPVNARKIKDIIVDLKARGRTIFLTTHDMATADELCDRVAFVVDGRIVALDSPTELKIARSRRRVRVEYRGDGGGLETAEFGMDGLADDPAFHSVLRNHHVETIHSREASLDDVFVEVTGRQLT |
3C41 Chain:J ((18-225)) | ---------------------------------VLKGINVHIREGEVVVVIGPSGSGKSTFLRCL-NLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITL-APMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDL-------------------------------------------------------------------- |
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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) -85239 for 1548 contacts (-55.1/contact) +
2D Compatibility (PS) -21292 + (NN) -6243 + (LL) 7300
1D Compatibility (HY) -16400 + (ID) 3300
Total energy: -125174.0 ( -80.86 by residue)
QMean score : 0.517
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