Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKHILSLTLGSLLVSTLSAEDDGFYTSVGYQIGEAAQMVTNTKGIQDLSDRYESLNNLLNRYSTLNTLIKLSADPSAINAVRENLGASAKNLIGDKANSPAYQAVLLAINAAVGFWNVVGYVTQCGGNANGQKSISSKTIFNNEPGYRSTSITCSLNGHSPGYYGPMSIENFKKLNEAYQILQTALKRGLPALKENNGKVNVTYTYTCSGDGNNNCSSQVTGVNNQKDGTKTKIQTIDGKSVTTTISSKVVDSRADGNTTGVSYTEITNKLEGVPDSAQALLAQASTLINTINNACPYFHASNSSEANAPKFSTTTGKICGAFSEEISAIQKMITDAQELVNQTSVINEHEQTTPVGNNNGKPFNPFTDASFAQGMLANASAQAKMLNLAEQVGQAINPERLSGTFQNFVKGFLATCNNPSTAGTGGTQGSAPGTVTTQTFASGCAYVGQTITNLKNSIAHFGTQEQQIQQAENIADTLVNFKSRYSELGNTYNSITTALSNIPNAQSLQNAVSKKNNPYSPQGIDTNYYLNQNSYNQIQTINQELGRNPFRKVGIVSSQTNNGAMNGIGIQVGYKQFFGQKRKWGARYYGFFDYNHAFIKSSFFNSASDVWTYGFGADALYNFINDKATNFLGKNNKLSVGLFGGIALAGTSWLNSEYVNLATMNNVYNAKMNVANFQFLFNMGVRMNLARPKKKDSDHAAQHGIELGLKIPTINTNYYSFMGAELKYRRLYSVYLNYVFAY |
3NB3 Chain:A ((32-143)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ENKLGAGAFGGYQ--VN--PYVGFEMGY--DWLGRMPY------AYKAQ--GVQLTAKLGYPITD-----------DLDIYTRLGGMVWRADTYSNVY---------GKNHDTGVSPVFAGGVEYAIT----------PEIATRLEYQWTNGMLSLGVSYRFG----------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NB3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -7039 for 643 contacts (-10.9/contact) +
2D Compatibility (PS) -10702 + (NN) 1104 + (LL) 30092
1D Compatibility (HY) -1600 + (ID) 750
Total energy: 11105.0 ( 17.27 by residue)
QMean score : -0.192
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