Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSILTDFEPKFLSSDDLLNLYAEYCNGHYCDFKYKQRRLSDGNIQSHLYFKKDHFIHDYNGIETFKRFIAVKAYDVDNITSLALSNLLCEKFNLDILLTIEAMDKERALFFIRERKKRSKDISYQNIEYLEQMVSTDRAQIQKVSLSIMVFANSKKELDKKSIIVYNTLKKEGFSAVLESINMRPIFFSFFPERNFLNSRLRPQTSQNIASLIMFEKYQEGFKENSWGDCPVSVFKNQNGSAHFFNFQAKQGKDKNDNVVGHTMIIGSTGSGKSTFISFLIANLLTKYDMSVVALDRMNGLEIMTDFFEGQYNTANTDGGFYINPFSLKDSEENRQFL-ANWIKFMLNIDSDNQQDNKASQSIDKVIRDTYNYMGDQKNQINLLEIAKNLGSSEQDFNEILKSQGEKIYFKNFQDCLDFSNSPLSVINMDAFANDKKLMGLIAMYLFHKLFFEAKEHNKPFFYSLMKLKTTLCIL |
1E9R Chain:A ((35-164)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EKAKQVTVAGVPMPR----DAEPRHLLVNGATGTGKSVLLRELAYTGLLR-GDRMVIVDPNGDMLSKFGRDKDIILNPYDQRTKGWSFFNEIRNDYDWQRYALSVVPRGKT-DEAEEWASYGRLLLRETAKKLALIGTPSMRELFHWTTIATFDDLRGFLEGTLAESLFAGSNEASKALTSARFVLSDKLPEHVTMPDGDFSIRSWLEDPNGGNLFITWREDMGPALRPLISAWVDVV |
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General information:
TITO was launched using:
| RESULT:
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Template: 1E9R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 2910 for 686 contacts (4.2/contact) +
2D Compatibility (PS) -13578 + (NN) -3285 + (LL) 17736
1D Compatibility (HY) 2000 + (ID) 750
Total energy: 5033.0 ( 7.34 by residue)
QMean score : 0.111
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