Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQRIRIIDSHTGGEPTRLVIGGFPDLGQGDMAERRRLLGERHDAWRAACILEPRGSDVLVGALLCAPVDPEACAGVIFFNNSGYLGMCGHGTIGLVASLAHLGRIGPGVHRIETPVGEVEATLHEDGSVSVRNVPAYRYRRQVSVEVPGIGRVSGDIAWGGNWFFLVAGHGQRLAGDNLDALTAYTVAVQQALDDQDIRGEDGGAIDHIELFADDPHADSRNFVLCPGKAYDRSPCGTGTSAKLACLAADGKLLPGQPWRQASVIGSQFEGRYEWLDGQPGGPIVPTIRGRAHVSAEATLLLADDDPFAWGIRR |
4J9X Chain:B ((23-330)) | MKKITVIDSHTGGEPTRLVIDGFPDLGRGSMAERLQILEREHDQWRRACVLEPRGSDVLVGALLCQPQAGDACAGVIFFNNSGYLGMCGHGTIGLVRSLYHLGRIDQGVHRIETPVGTVEATLHEDLSVSVRNVPAYRYRTQVMLQLPGHGKVHGDIAWGGNWFFLISDHGQRIALDNVEALTHYTRDVRQALEAAGITGAEGGVIDHIELFADDPQADSRNFVLCPGKAYDRSPCGTGTSAKLACLAADGKLAPGQAWRQASVIGSQFSAHYE----KVGEQLIPILRGSAHISAEATLLLDDSDPFVWGIGS |
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General information:
TITO was launched using:
| RESULT:
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Template: 4J9X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -185574 for 2772 contacts (-66.9/contact) +
2D Compatibility (PS) -34155 + (NN) -24002 + (LL) 84
1D Compatibility (HY) -36000 + (ID) 11750
Total energy: -291397.0 ( -105.12 by residue)
QMean score : 0.626
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