Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLTKKPEINTILQVTPDPHSLPAAMATEDLHVYYGDNHAIKGVDLTFPENKVTALIGPSGCGKSTYLRALNRMNDEIDGCRMEGQILYDGININRKEVDLYNVRKEIGMVFQKPNPFTK-SIYENVAFGLKRHGMKNKKEIMERVEKSLRRAALWDEV--KDDLGKSALSLSGGQQQRLCIARAVAMQPKVLLLDEPASALDPISTSKIEDLINELKNK-YTIIIVTHNMQQAARVSDYTSFFYLGEVVEFSGTSELFTNPQEKQTEDYISGNFG |
| 3C41 Chain:K ((13-242)) | ---------------------------------FGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLED-FD----EGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLA----PMKVRKWPREKAEA--KAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF- |
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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) -86194 for 1776 contacts (-48.5/contact) +
2D Compatibility (PS) -24664 + (NN) -10864 + (LL) 3024
1D Compatibility (HY) -19600 + (ID) 4750
Total energy: -143048.0 ( -80.55 by residue)
QMean score : 0.533
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