Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLHQLTLAEIARALADKQFSAEELTRTLLGRIRQLDPQLNSFISITDDLAIAQAKAADERRANGENGALLGAPIAHKDLFCTQGVRTSCGSKMLDNFVSPYDATVVEKLTAAGAVTLGKLNMDEFAMGSSNQSSHYGAVKNPWSLDRVPGGSSGGSAAAVAARLLPAATGTDTGGSIRQPAALTNLTGIKPTYGRVSRWGMIAYASSLDQGGPLARTAEDCALMLGVMAGFDPKDSTSVEQPVDDYLAALQKPLSGLRIGLPREYFGAGLDSRIADAVLAVVEELKTLGATVKDISLPNMQHAIPAYYVIAPAEASSNLSRFDGVRYGYRCDAPQNLEDLYKRSRAEGFGSEVKNRIMVGTYALSAGYYDAYYLQAQKIRRLIKNDFVSAFAEVDVILGPTTPNPAWKIGEKNDDPVSQYLEDIYTITANLAGLPGLSMPAGFVDGLPVGVQLLAPYFQEGRLLNVAHQYQQVS-DWHTRTPAGF |
3KFU Chain:E ((5-468)) | --------EIRARVARGEVSPLEVAQAYLKRVQELDPGLGAFLSLNERL-LEEAEAVDP------GLPLAGLVVAVKDNIATRGLRTTAGSRLLENFVPPYEATAVARLKALGALVLGKTNLDEFGMGSSTEHSAFFPTKNPFDPDRVPGGSSGGSAAALAADLAPLALGSDTGGSVRQPAAFCGVYGLKPTYGRVSRFGLIAYASSLDQIGPMARSVRDLALLMDAAAGPDPLDATSLDLP-PRFQEALEGPLPPLRLGVVREAL-AGNSPGVERALEEALKVFRELGLSVREVSWPSLPQALAAYYILAPAEASSNLARYDGTLYGRRA-AGEEVEGMMEATRAL-FGLEVKRRVLVGTFVLSSGYYEAYYGRAQAFRRRLKAEAQALFREVDLLLLPTTPHPAFPFGARR-DPLAMYREDLYTVGANLTGLPALSFPAGFEGHLPVGLQLLAPWGEDERLLRAALAFEEATARAHLKAPLG- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KFU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -174454 for 4480 contacts (-38.9/contact) +
2D Compatibility (PS) -49259 + (NN) -20098 + (LL) 1264
1D Compatibility (HY) -35200 + (ID) 11500
Total energy: -289247.0 ( -64.56 by residue)
QMean score : 0.421
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