Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGCIKSKRKDNLNDDGVDMKTQPVRNTDRTIYVRDPTSNKQQRPVPESQLLPGQRFQAKDPEEQGDIVVALYPYDGIHPDDLSFKKGEKMKVLEEHGEWWKAKSLSSKREGFIPSNYVAKVNTLETEEWFFKDITRKDAERQLLAPGNSAGAFLIRESETLKGSFSLSVRDYDPMHGDVIKHYKIRSLDNGGYYISPRITFPCISDMIKHYQKQSDGLCRRLEKACISPKPQKPWDKDAWEIPRESIKLVKKLGAGQFGEVWMGYYNNST-----------------KVAVKTLKPGTMS--AQAFLEEANLMKTLQHDKLVRLYAVVTKEEPIYIITEFMAKGSLLDFLKSD----EGSKVLLPKLIDFSAQIAEGMAYIERKNYIHRDLRAANVLVSESLMCKIADFGLARVIEDNEYTAREG-AKFPIKWTAPEAINFGCFTIKSDVWSFGILLYEIVT-YGKIPYPGRTNADVMTALSQG-------YRMPRMENCPDELYDIMKMCWKESAEERPTFDYLQSVLDDFYTATEGQYQQQP |
4BKJ Chain:A ((4-310)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLED--PTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYY----RAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAED------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BKJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -158318 for 2022 contacts (-78.3/contact) +
2D Compatibility (PS) -27038 + (NN) -9589 + (LL) 12772
1D Compatibility (HY) -27200 + (ID) 4700
Total energy: -214073.0 ( -105.87 by residue)
QMean score : 0.286
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