Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTRSKLAAGFLTLMSVATLAACSGKTSNGTNVVTMKGDTITVSDFYDQVKTSKAAQQSMLTLI---------------LSRVFDTQYGDKVSDKKVSEAYNK-----TAKGYGNSFSSALSQAGLTPEGYKQQIRTTMLVEYAVKEA--AKKELTEANYKEAYKNYTPETSVQVIK-----LDAEDKAKSVLKDVKADGADFAKIAKEKTTATDKKVEYKFDS-AGTSLPKEVMSAAFKLDKNGVSDVVSTVDSTTYKTS--YYIIKVTDKTEKKS-----DWKSYKNRLKEVILKDKTSDR-SFQNKVISKALEKANVKIKDKAFAGILSQYATTSGSSSLKK----------------- |
3AU7 Chain:A ((20-402)) | HMRVWVGIDTYLAVLAMERVERELGKVIGFPRLIRLNPTINGAVSFLVEVDDVGELVDVVNEVIIEPGAVFVDEELAVKLKPFADKAIKDVLQIDEALFVIGKYFIPHLRHKKGRGLIGALAAVGAELEDF-----TLELIAYRYPERFGTEREYDEESFFDMDYELYPQTFDNVDWCNDVVVCIPNTPCPVLYGIRGESVEALYKAMESVKTEPVDRRMIFVTNHATDMHLIGEEEVHRLENYRSYRLRGRVTLEPYDIEGGHVFFEIDTKFGSVKCAAFEPTKQFRNVIRLLRKGDVVEVYGSMKKDTIN--LEKIQIVELAEGSERELQPGFYEVPPSARRHLSKPLIRMNVEGRHIFR |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AU7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 67386 for 2306 contacts (29.2/contact) +
2D Compatibility (PS) -32045 + (NN) -4768 + (LL) 816
1D Compatibility (HY) -8800 + (ID) 2200
Total energy: 20389.0 ( 8.84 by residue)
QMean score : 0.201
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