Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKLVATAPR-VAVLVEYNDREVLEDEVKIKVQFASPKHGTEVVDFRGISPFIDEEFSPEWNLFVSRETNSARGIVFGEFQLGNMVVGEVVERGSKVTEYALGDIVCS------------------YGPIMETVIVKAVDNYKLRKLPKGANWKNAVCYDPAQFAMSGVRDAHVRAGDYVVVVGLGAIGQIAIQLAKKAGASVVIGVDPLSHRREIAEKHGADATFDPITTDVGLEVKRLTGKLGADSIIETSGNAAALQAALRGIAYGGTISYVAFAKPFPEGFNLGREAHFNNAKIVFSRAASEPNPDYPRWDRKRIEETCWELLMNGYLDCSDIIDPVV-PFADSAESYMKYVDQQPDLSIKMGITL |
2D8A Chain:A ((5-347)) | MVAIMKTKPGYGAELVEVDVPKPGPGEVLIKVLATSICG-TDLHIYEWNEWAQ--------------------SRIKPPQIMGHEVAGEVVEIGPGVEGIEVGDYVSVETHIVCGKCYTKIFGVDTDGVFAEYAVVPA-QN--IWKNPKSIPPEYATLQEPLGNAVDTVL-AGPISGKSVLITGAGPLGLLGIAVAKASGAYPVIVSEPSDFRRELAKKVGADYVINPFEEDVVKEVMDITDGNGVDVFLEFSGAPKALEQGLQAVTPAGRVSLLGLYPGKV-TIDFNNLIIFKALTIYGITGRH----------LWETWYTVSRLLQSGKLNLDPIITHKYKGFDKYEEAFEL-MRAGK--TGKVVFML |
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General information:
TITO was launched using:
| RESULT:
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Template: 2D8A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157487 for 2726 contacts (-57.8/contact) +
2D Compatibility (PS) -33996 + (NN) -8299 + (LL) 1336
1D Compatibility (HY) -11600 + (ID) 4450
Total energy: -214496.0 ( -78.69 by residue)
QMean score : 0.453
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