Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | VAESFVRLEHVFYKYEDTEKYAVKDVSISAQKGEWVALVGHNGSGKSTIAKLLNGLLFPEDGLIKIGHFVLSEK--NIWEIRRQVGMVFQNPDNQFVGATVQDDVAFG-LENHGVPHDTMVERVESALNEVGMQSYALHEPARLSGGQKQRVAIAGVLALQPDVIILDEATSMLDPRGRAEVMETIRIMREQEDITVISITHDLDEVLFA----DRVIVMNKGEIHSEGTPKEIFQQADAMREIGLGVPFIIELQEKLVAGGFETGSTVLSEGALLDQLWKLNSNN |
| 3C41 Chain:J ((19-233)) | ----------------------LKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQR-FNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQL-ANEGMTMVVVTHEMG---FAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHER-------------------------------------------- |
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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) -109129 for 1606 contacts (-68.0/contact) +
2D Compatibility (PS) -22677 + (NN) -5641 + (LL) 5372
1D Compatibility (HY) -16800 + (ID) 3850
Total energy: -152725.0 ( -95.10 by residue)
QMean score : 0.426
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