Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDILRKGNKDLIKDINRYTVLNLIREKGEITRTEIAKKCDFGMSTLTYILDDLQQEGIILEGAETSSTGGRRAKLVRFNKDYGFVVSVKVEEEQLLFALTDLNAEIIENTSIPFSSEKKPEEAIELIAKNVKKMCGNRDMNHLLGVGIAISGLVNRKKGTVIRSTML-GWENVALEAMLHAHFPDIPVYVDKNINCYTLAELWLGEGKQSNNFATVSVGAGLGLSVVINRQIYYGAQGGAGEFGHTTIQPGGYKCHCGQKGCLEMYASEFYFRNRGEELKEAYPTSELNDFHFDKVAKSARAGDEMATELMGKMGEYLGYGIRNIINTFNPEKVIIVGEGLHHR-DLFLTKIDEIASQNFFSGAGFETEITTTSLEDPAWLQGAALLVIHQLFQVPIYEEEQTLLR |
3VOV Chain:A ((1-300)) | ----------------------------------------------------------------------------------MKVVGLDLGGTKIAAGVFDG-KRLLSKVVVPTPKE-GGERVAEALAEAAERAERE-AGVRGEAIGLGTPGPLDFRRGVIR---NIPGVQDFPIRRILEEAT-GRPVFLENDANAAALAEHHLGAAQGEESSLYLTVSTGIGGGVVLGGRVLRGERGQGGELGHLTLLPGGPACGCGLEGCLEALAAGRALERDATYAFQR-------PVDTRELFRLFQAGDPKAERLVLQAARYVGIGLASLVKAFDPGVVVLGGGVALNAPEGYWEALLEAYRRYL-Q-GWEAPPLRRARLGAEAGLLGAALTAYLEVKDG----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VOV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -241870 for 2683 contacts (-90.1/contact) +
2D Compatibility (PS) -31911 + (NN) -14090 + (LL) 6844
1D Compatibility (HY) -8000 + (ID) 3200
Total energy: -292227.0 ( -108.92 by residue)
QMean score : 0.446
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