Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDQYCILGRIGEGAHGIVFKAKHVETGEIVALKKVALRRLEDGFPNQALREIKALQEMEDNQYVVQLKAVFPHGGGFVLAFEFMLSDLAEVVRHAQRPLAQAQVKSYLQMLLKGVAFCHANNIVHRDLKPANLLISASGQLKIADFGLARVFSPDGSRLYTHQVATRWYRAPELLYGARQYDQGVDLWSVGCIMGELLN-GSPLFPGKNDIEQLCYVLRILGTPNPQVWPELTELPDYNKISFKEQV-PMPLEEVLPDVSPQALDLLGQFLLYPPHQRIAASKALLHQYFFTAPLPAHPSELPIPQRLGGPAPKAHPGPPHIHDFHVDRPLEESLLNPELIRPFILEG |
4AU8 Chain:A ((6-293)) | -QKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRV---------PSSALREICLLKELK-HKNIVRLHDVLH---KLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIP-VR--SAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYK--PYPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDF------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AU8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -179804 for 2219 contacts (-81.0/contact) +
2D Compatibility (PS) -28703 + (NN) -17175 + (LL) 2420
1D Compatibility (HY) -25600 + (ID) 6450
Total energy: -255312.0 ( -115.06 by residue)
QMean score : 0.582
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