Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQRIRIIDSHTGGEPTRLVIGGFPDLGQGDMAERRRLLGERHDAWRAACILEPRGSDVLVGALLCAPVDPEACAGVIFFNNSGYLGMCGHGTIGLVASLAHLGRIGPGVHRIETPVGEVEATLHEDGSVSVRNVPAYRYRRQVSVEVPGIGRVSGDIAWGGNWFFLVAGHGQRLAGDNLDALTAYTVAVQQALDDQDIRGEDGGAIDHIELFADDPHADSRNFVLCPGKAYDRSPCGTGTSAKLACLAADGKLLPGQPWRQASVIGSQFEGRYEWLDGQPGGPIVPTIRGRAHVSAEATLLLADDDPFAWGIRR |
4J9X Chain:A ((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) -189812 for 2771 contacts (-68.5/contact) +
2D Compatibility (PS) -34088 + (NN) -24197 + (LL) 84
1D Compatibility (HY) -36000 + (ID) 11750
Total energy: -295763.0 ( -106.74 by residue)
QMean score : 0.598
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