Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSRGMSGLEDSSDLVVSPYVRMGGLTTDPVPTGGDDPHKVAMLGLTFDDVLLLPAASDVVPATADTSSQLTKKIRLKVPLVSSAMDTVTESRMAIAMARAGGMGVLHRNLPVAEQAGQVEMVKRSEAGMVTDPVTCRPDNTLAQVDALCARFRISGLPVVDDDGALVGIITNRDMRFEVDQSKQVAEVMTKAPLITAQEGVSASAALGLLRRNKIEKLPVVDGRGRLTGLITVKDFVKTEQHPLATKDSDGRLLVGAAVGVGGDAWVRAMMLVDAGVDVLVVDTAHAHNRLVLDMVGKLKSEVGDRVEVVGGNVATRSAAAALVDAGADAVKVGVGPGSICTTRVVAGVGAPQITAILEAVAACRPAGVPVIADGGLQYSGDIAKALAAGASTAMLGSLLAGTAEAPGELIFVNGKQYKSYRGMGSLGAMRGRGGATSYSKDRYFADDALSEDKLVPEGIEGRVPFRGPLSSVIHQLTGGLRAAMGYTGSPTI-EVLQQAQFVRITPAGLKESHPHDVAMTVEAPNYYAR |
2CU0 Chain:A ((11-480)) | ----------------------------------------AIKGYTFDDVLLIPQATEVEPKDVDVSTRITPNVKLNIPILSAAMDTVTEWEMAVAMAREGGLGVIHRNMGIEEQVEQVKRVKRAE------------------------------------------------------------------------------------------------------------------KYKNAVRDENGELLVAAAVSPFDIK--RAIELDKAGVDVIVVDTAHAHNLKAIKSMKEMRQKVD--ADFIVGNIANPKAVDDL--TFADAVKVGIGPGSICTTRIVAGVGVPQITAVAMVADRAQEYGLYVIADGGIRYSGDIVKAIAAGADAVMLGNLLAGTKEAPGKEVIINGRKYKQYRGMGSLGAMM-K---------------YMKTRKFVPEGVEGVVPYRGTVSEVLYQLVGGLKAGMGYVGARNIRELKEKGEFVIITHAGIKESHPHDIIITNEAPN---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CU0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -187563 for 3157 contacts (-59.4/contact) +
2D Compatibility (PS) -38052 + (NN) -15187 + (LL) 9552
1D Compatibility (HY) -31200 + (ID) 9600
Total energy: -272050.0 ( -86.17 by residue)
QMean score : 0.434
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