Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | METGKSDVLDKIEKINKKDSALQEIIPKGYEIEHHQCGVALYQLIPSKKEGEPDKKVFITNTIPQITERFEDIESNEVSFNMLFYDNKTPVNIAVSAEEISDSRQLLKLVNKKLDVTSSTSTKLVDYINVSKRYNPPLNVKVATRLGHVKGYFIYPYQEVMKDSNVKLFSNDKGFQKLIDSFRSKGTLQGYSKKVFAQIKDLPMVMVMLYASLGSVLLREFGLQPFIVEISGSTSTGKTFTLNLVSSVWGTSD-------LITTWSST---QNSIESMASFLNSFPMFKDDTRNTHPKFVTSTTYNFSSGESKSRSNINLTLNAKKEWRNILISTGESSIANMADEKAGVSARVVTLQDPPYPDNFDFTTLDKSFRENYGTLGLAFIKQYESKKDVYKNAFESYQRYFNQKGSNEIMQRLGRAFALLQVTGEVLNDIDGFEHDHFKIIEQAYDSMVKNNKTIDKPKQLLEELLQYLDANRNNIVGDGYDSVNYGDVKAVYKHDFLCIKNETVKNKLGHEMQTITGQWDKKGYLIKDKKRIQKQVKHKSQRHLGYAIKKEIIEELGFDFSISHNPYTESY |
3WHK Chain:A ((51-132)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PKGVLLYGPPGCGKTLMAKAIAHEVNATFIRVVGSELVR---EGARLVHELFELAKEKAPTIIFIDEIDAI-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WHK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -1647 for 265 contacts (-6.2/contact) +
2D Compatibility (PS) -6066 + (NN) -1470 + (LL) 32360
1D Compatibility (HY) -1200 + (ID) 500
Total energy: 21477.0 ( 81.05 by residue)
QMean score : 0.146
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