Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKLVATA-PRVAVLVEYNDREVLEDEVKIKVQFASPKHGTEVVDFRGISPFIDEEFSPEWNLFVSRETNSARGIVFGEFQLGNMVVGEVVERGSKVTEYALGDIVCS------------------------------YGPIMETVIVKAVDNYKLRKLPKGANWKNAVCYDPAQFAMSGVRDAHVRAGDYVVVVGLGAIGQIAIQLAKKAGASVVIGVDPLSHRREIAEKHGADATFDPITTDVGLEVKRLTGKLGADSIIETSGNAAALQAALRGIAYGGTISYVAFAKPFPEGFNLGREAHFNNAKIVFSRAASEPNPDYPRWDRKRIEETCWELLMNGYLDCSDIIDPVVPFADSAESYMKYVDQQPDLSIKMGITL |
2DQ4 Chain:A ((1-341)) | MRALAKLAPEEGLTLVDRPVPEPGPGEILVRVEAASICG-TDLHIWKWDAWAR--------------------GRIRPPLVTGHEFSGVVEAVGPGVRRPQVGDHVSLESHIVCHACPACRTGNYHVCLNTQILGVDRDGGFAEYVVVPA-EN--AWVNPKDLPFEVAAILEPFGNAVHTVYAGSGVSGKSVLITGAGPIGLMAAMVVRASGAGPILVSDPNPYRLAFARPY-ADRLVNPLEEDLLEVVRRVT-GSGVEVLLEFSGNEAAIHQGLMALIPGGEARILGIPSDPI-RFDLAGELVMRGITAFGIAGRR----------LWQTWMQGTALVYSGRVDLSPLLTHRLPLSRYREAFGL-LASGQ--AVKVILDP |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DQ4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -165018 for 2701 contacts (-61.1/contact) +
2D Compatibility (PS) -33702 + (NN) -9110 + (LL) 1068
1D Compatibility (HY) -6800 + (ID) 3600
Total energy: -217162.0 ( -80.40 by residue)
QMean score : 0.445
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