Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKKMFVVLALVLSLSLVLMACGGSKDDANSGDSKVLNVWAMGD--EAKSLKELAQKFTKDTGIEVKVQVIPWANAHDKLLTAVASKSGPDVVQM-GTTWMPEFVEAGALLDITKDVEKSKNMNSDLFFPGSVKTTQFDGKTYGVPWYAETRVLFYRTDLLKKVGYNEAPKTWDELSDAALKLSKRGKDMYGFAIDPNEQTTGFIFGRQNGSP-LFDKD-------GTPVFNKKPFVDTVTYLDSFIKNG-SAPDTDLGLDASQSFGGDGIVPMFMSGPWMVNTLKDTAPDIDGKWATAVLPKKENN----ESSLGGANLSIFKYSDKKDDALKFMDYMSQPDVQLSWLKDTNSMPARMDAWEDDMLKNDPYYKVFGEQMKTAEPMPLIPQFEEIAQLYGKSWEQIYRGGA-DVQTQMDTFNDQVETLLKK |
2GH9 Chain:A ((2-379)) | -----------------------------------KITVWTHFGGPELEWLKEQARTFERTSGTKVEVVEVPFAEIKQKFILGAPQGQAADLVVTVPHDWVGEMAQAGVLEPVGKYVTQA---YLADLQGVAVEAFTFGGRLMGLPAFAESVALIYNKKYVKE-----PPRTWEEFLALAQKLTTGAT--FGFLYNIGDPYFNFGFFKAFGAENVFAKDAKGNLDPTKLLIGGEVGEKALQFIKDLRFKYNLVPEG-VDYGVADGAFKDGALAMILNGPWALGDYKKA----KVDFGIAPFPVPPGAKNPWGPFLGVQGVVVNAYSKNKTQAVNFAKTLVTGRNLVAFNQAGGRIPVSKSAVKQL--EKDPVVAGFSKVFPLGAPMPNIPEMGKVWGPWGNAISLAIQRPDSNVKKIVEDMVAEIKKAIG- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GH9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -105462 for 3121 contacts (-33.8/contact) +
2D Compatibility (PS) -37640 + (NN) -9025 + (LL) 3388
1D Compatibility (HY) -20400 + (ID) 3850
Total energy: -172989.0 ( -55.43 by residue)
QMean score : 0.555
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