Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAIKKSELYSSLWAGADSLRGGMDASEYKNYVLNLLFLKYISDKAKNNMDSEIEVPQG----CFYEDILALEGDKEIGDKLNKIIAKIAERNDLKGV--------IDSVDFNDNTKLGEGKAMIDTLSNLVKIFADLS----------------LGAHGALDDDLLGDAYEYLMRHFASESGKSKGQFYTPSEVSLLLSLLLGIDENTRQDKSIYDPTCGSGSLLLKASSLAGKKG-------------LTIYGQEKDISTTALCKMNMILHNSATADIAKGGSSTLSNPLFTTENGMLKTFDYVVANPPFSLKNWTDGLSIDPKSKQVINDSFNRF----EDGTPPEKNGDFAFLLHIIKSLNPTGKGAVILPHGVLFRG-NAEAQIRKNLLMKGYIKGVIGLAPNLFYGTSIPACVIVL-----DKENAHARKG-VFVIDASK-DFKKDGNKNRLREQDVQKMIDTFNALKE-------IPYYSKMVSLEEISLNDYNLNIPRYIAAKQELEKDLFALINSPSYLPKNEIKAYDPYFQVFKELKNTLFKKSDKEGYYALKTECENIKDLITQSLEYQTFHASVLSAFESLDLFTTFNDLEPGFNPKTLIESVCSKVLKEFEKVGILDKYGVYQLFKDYYNEVLQDDWFLISFNGFRSAKELRKLTPLKDKNKKANYLEEPDFIVQKTYYKSDLIPKHLIKQRFFEKETKELEELENALNEKEALLDEFIEEHSNEEGLFDGLKINESVLKKELKNATDLEDKQILKTALEWLEAKNKALKMKNKAYEELELKAFHQYKNLEINEIKDLIIKDKWLNSLKNALENKIQKRTNAFASALNEIISSYSNSLLELDKEVKESESKVLEHLKDLGLMG |
3KHK Chain:A ((7-530)) | -QQFLNDLDNQLWRAADKLRSNLDAANYKHVVLGLIFLKYVSDAFEERQQELTELFQKDDDDNIYYLPREDYDSDEAYQQAIAEELEIGDYYTEKNVFWVPKTARWNKLRDVITLPTSVSWLIDNAFDDIEKANPKLKGILNRISQYQLDADKLIGLINEFSKDILGHVYEYFLGQFALAEGKQGGQYYTPKSIVTLIVEMLEPYKG-----RVYDPAMGSGGFFVSSDKFIEKHANVKHYNASEQKKQISVYGQESNPTTWKLAAMNMVIRGI-DFNFGKKNADSFLDDQHPD-----LRADFVMTNPPFNMKDWW--------HEKLADDPRWTINTNKRILTPPTGNANFAWMLHMLYHLAPTGSMALLLANGSMSSNTNNEGEIRKTLVEQDLVECMVALPGQLFTNTQIPACIWFLTKDKNAKNGKRDRRGQVLFIDARKLGYMKDRVLRDFKDEDIQKLADTFHNWQQEWSEENNQAGFCFSADLALIRKNDFVLTPGRYVG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KHK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -175380 for 3332 contacts (-52.6/contact) +
2D Compatibility (PS) -46850 + (NN) -30789 + (LL) 28632
1D Compatibility (HY) -28400 + (ID) 6300
Total energy: -259087.0 ( -77.76 by residue)
QMean score : 0.462
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