Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSILTDFEPKFLSSDDLLNLYAEYCNGHYCDFKYKQRRLSDGNIQSHLYFKKDHFIHDYNGIETFKRFIAVKAYDVDNITSLALSNLLCEKFNLDILLTIEAMDKERALFFIRERKKRSKDISYQNIEYLEQMVSTDRAQIQKVSLSIMVFANSKKELDKKSIIVYNTLKKEGFSAVLESINMRPIFFSFFPERNFLNSRLRPQTSQNIASLIMFEKYQEGFKENSWGDCPVSVFKNQNGSAHFFNFQAKQGKDKNDNVVGHTMIIGSTGSGKSTFISFLIANLLTKYDMSVVALDRMNGLEIMTDFFEGQYNTANTDGGFYINPFSLKDSEENRQFLANWIKFMLNIDSDNQQDNKASQSIDKVIRDTYNYMGDQKNQINLLEIAKNLGSSEQDFNEILKSQGEKIYFKNFQDCLDFSNSPLSVINMDAFANDKKLMGLIAMYLFHKLFFEAKEHNKPFFYSLMKLKTTLCIL |
4HUQ Chain:A ((34-67)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GYLAIIGHTGSGKSTLIQQL--NALLKPTSGTIKIDEFTITPETTNAALKPLRQHVGMVFQFPENQLFEETVRQDIAFGPKNFGMADADALALADEMLTTVGLDQSYAERSPFELSGGQMRRVAIAGVLAMQPKVLVLDEPTAGLDPQGRQEMMRLFARLHQEQGLTIVLVTHQMEDVAQYAEQVAVMHEGRLMKFGTPADVFSNREWLQDHQL |
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General information:
TITO was launched using:
| RESULT:
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Template: 4HUQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -10821 for 137 contacts (-79.0/contact) +
2D Compatibility (PS) -3763 + (NN) -1139 + (LL) 18636
1D Compatibility (HY) -800 + (ID) 850
Total energy: 1263.0 ( 9.22 by residue)
QMean score : 0.094
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