Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSRGMSGLEDSSDLVVSPYVRMGGLTTDPVPTGGDDPHKVAMLGLTFDDVLLLPAASDVVPATADTSSQLTKKIRLKVPLVSSAMDTVTESRMAIAMARAGGMGVLHRNLPVAEQAGQVEMVKRSEAGMVTDPVTCRPDNTLAQVDALCARFRISGLPVVDDDGALVGIITNRDMRFEVDQSKQVAEVMTKAPLITAQEGVSASAALGLLRRN-KIEKLPVVDGRGRLTGLITVKDFVKTEQHPLATKDSDGRLLVGAAVGVGGDAWVRAMMLVDAGVDVLVVDTAHAHNRLVLDMVGKLKSEVGDRVEVVGGNVATRSAAAALVDAGADAVKVGVGPGSICTTRVVAGVGAPQITAILEAVAACRPAGVPVIADGGLQYSGDIAKALAAGASTAMLGSLLAGTAEAPGELIFVNGKQYKSYRGMGSLGAMRGRGGATSYSKDRYFADDALSEDKLVPEGIEGRVPFRGPLSSVIHQLTGGLRAAMGYTGSPTIEVLQ-QAQFVRITPAGLKESHPHDVAMTVEAPNYYAR |
4FEZ Chain:B ((67-366)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AQEG-----GIGFIHKNMSIEQQAAQVHQVKIFES-----------KPNACKDEQGRLRVGAAVGAAPGNEERVKALVEAGVDVLLIDSSHGHSEGVLQRIRETRAAY-PHLEIIGGNVATAEGARALIEAGVSAVKVGIGPGSICTTRIVTGVGVPQITAIADAAGVANEYGIPVIADGGIRFSGDISKAIAAGASCVMVGSMFAGTEEAPGEVILYQGRSYKAY----------------------------------------GRIAYKGHLKEIIHQQMGGLRSCMGLTGSATVEDLRTKAQFVRISGA---------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4FEZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136135 for 1967 contacts (-69.2/contact) +
2D Compatibility (PS) -27462 + (NN) -9492 + (LL) 16512
1D Compatibility (HY) -18400 + (ID) 6650
Total energy: -181627.0 ( -92.34 by residue)
QMean score : 0.449
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