Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | LSQMSILEKIKDAGVVGCGGAGFPTHAKFSGEVEYLIINAAECEPLLKTDHFVMRNHAVETIKAIEMVKSQVGAEFAVIATKRYYTEEIAALRSAITELDASVTIHEMDNVYPTGDEQVMVFEVTGRVVPPSGIPLMVGCIVSNVSTMWNVFHAIQDDAPVVRKQLTVTGAVGEPKLLDVPVGTPFEVCLAAAGGTNLDEYLFLDGGPMMGKLNDQSTIADKVVTKTTSGLIVAEDTGYLHKLHYQTVEQIFNETKSACIQCSLCSDLCPRQQLGHD--IHPHKVMRHFAVAEDITDIKPDPIWEE-----AMICCECGICEVIACPMGLSPRQVNIHVKKELLKQGVRYQTDKKEFTPDPMREYKSIAPKNILIKMGLQQYADVHLEKMHYLEVDEVFIPTKMHIGAPSIPVVSEGDIVKKGDLIAKIPDTALGANIHASIDGQIIRITEEQVHIKKVMS |
| 1NEK Chain:B ((149-238)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CILCACCSTSCPSFWWNPDKFIGPAGLLAAYRFLIDSRDTETDSRLDGLSDAFSVFRCHSIMNCVSVCPKGLNPTRAIGHIKSMLLQRNA----------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NEK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -49816 for 569 contacts (-87.6/contact) +
2D Compatibility (PS) -8431 + (NN) 930 + (LL) 26876
1D Compatibility (HY) -4400 + (ID) 1200
Total energy: -36041.0 ( -63.34 by residue)
QMean score : 0.323
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