Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSILEVKNLSHGFGDRAIFENVSFRLLKGEHIGLIGANGEGKSTFMSIVTGHLQPD--EGKIEWSKYVTA---GYLDQHTVLEKGQTVRDVLRTAFDELFKTEARINDIYISMADDGADVDSLMEEVGELQDRLESRDFYTLDAKIDEVARALGVMDFG-----MDSDVTELSGGQRTKVLLAKLLLEKPDILLLDEPTNYLDAEH---IDWLKRYLQNYENAFVLISHDIP---FLNDVINIVYHVENQDLVRYSGDYTNFESVYAMKKAQLEAAYERQQKEIADLQDFVNRNKARVATRNMAMSRQKKLDKMDI-IELQAEKPKPSFEFKESRTPGRFIFQAKDLQIGYDRALTKPLNLTFERNQKIAIVGANGIGKTTLLKSLLGIIPPISGNVERGDFIDLGYFEQEVPGGNRQTPLEAVWDAFPALNQAEVRAALARCGLTSK-----HIESQIQVLSGGEQSKVRFCLLMNRENNVLVLDEPTNHLDVDAKDELKRALKAYKGSILMVCHEPDFYEGWMDDVWDFNQLS |
| 3BK7 Chain:A ((117-515)) | ----------------------------GMVVGIVGPNGTGKTTAVKILAGQLIPNLCEDNDSWDNVIRAFRGNELQNYFERLKNGEIRPVVKPQYVDLLPKAVK----------------------GKVRELLK---------KVDEVGKFEEVVKELELENVLDRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYLSDVIHVVYG--------EPGVYGIFSKPKGTRNGINEF-----------LQGYLKDENVRF--RPYEIRFTKLSERVDVERETLVEYPRLVKDY------GSFKLEVEPGEI--------------RKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEWD--LTVAYKPQYIKAEYEGT----VYELLSKIDSSKLNSNFYKTELLKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVF |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BK7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -52760 for 2706 contacts (-19.5/contact) +
2D Compatibility (PS) -40045 + (NN) -13969 + (LL) 7396
1D Compatibility (HY) -26800 + (ID) 5500
Total energy: -131678.0 ( -48.66 by residue)
QMean score : 0.272
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