Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKHILSLTLGSLLVSTLSAEDDGFYTSVGYQIGEAAQMVTNTKGIQDLSDRYESLNNLLNRYSTLNTLIKLSADPSAINAVRENLGASAKNLIGDKANSPAYQAVLLAINAAVGFWNVVGYVTQCGGNANGQKSISSKTIFNNEPGYRSTSITCSLNGHSPGYYGPMSIENFKKLNEAYQILQTALKRGLPALKENNGKVNVTYTYTCSGDGNNNCSSQVTGVNNQKDGTKTKIQTIDGKSVTTTISSKVVDSRADGNTTGVSYTEITNKLEGVPDSAQALLAQASTLINTINNACPYFHASNSSEANAPKFSTTTGKICGAFSEEISAIQKMITDAQELVNQTSVINEHEQTTPVGNNNGKPFNPFTDASFAQGMLANASAQAKMLNLAEQVGQAINPERLSGTFQNFVKGFLATCNNPSTAGTGGTQGSAPGTVTTQTFASGCAYVGQTITNLKNSIAHFGTQEQQIQQAENIADTLVNFKSRYSELGNTYNSITTALSNIPNAQSLQNAVSKKNNPYSPQGIDTNYYLNQNSYNQIQTINQELGRNPFRKVGIVSSQTNNGAMNGIGIQVGYKQFFGQKRKWGARYYGFFDYNHAFIKSSF-FNSASDVWTYGFGADALYNFINDKATNFLGKNNKLSVGLFGGIALAGTSWLNSEYVNLATMNNVYNAKMNVANFQFLFNMGVRMNLARPKKKDSDHAAQHGIELGLKIPTINTNYYSFMGAELKYRRLYSVYLNYVFAY |
2X27 Chain:X ((44-175)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SDTQLGLTFTY--MFA--DKWGVELVAATPFNHQVDVKGLLDGKLADIKQLPPTLLLQYYPMGGT---------NSAFQPYGGLGVNYTTFFDEDLASNRK-AQGFSSMKLQDSWGLAGELGFDYMLN----------EHALFNMAVWYMDIDTKASINGPSALGVNKTKVDVDVDPWVY |
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General information:
TITO was launched using:
| RESULT:
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Template: 2X27.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -14042 for 839 contacts (-16.7/contact) +
2D Compatibility (PS) -13019 + (NN) 338 + (LL) 27776
1D Compatibility (HY) -6800 + (ID) 800
Total energy: -6547.0 ( -7.80 by residue)
QMean score : -0.116
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