Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDILRKGNKDLIKDINRYTVLNLIREKGEITRTEIAKKCDFGMSTLTYILDDLQQEGIILEGAETSSTGGRRAKLVRFNKDYGFVVSVKVEEEQLLFALTDLNAEIIENTSIPFSSEKKPEEAIELIAKNVKKMCGNRDMNHLLGVGIAISGLVNRKKGTVIRSTML-GWENVALEAMLHAHFPDIPVYVDKNINCYTLAELWLGEGKQSNNFATVSVGAGLGLSVVINRQIYYGAQGGAGEFGHTTIQPGGYKCHCGQKGCLEMYASEFYFRNRGEELKEAYPT--SEL--------NDFHFDKVAKSARAGDEMATELMGKMGEYLGYGIRNIINTFNPEKVIIVGEGLHHRDLFLTKIDEIASQNFFS-GAGFETEITTTSLEDPAWLQGAALLVIHQLFQVPIYEEEQTLLR |
3VGL Chain:A ((2-313)) | ----------------------------------------------------------------------------------GLTIGVDIGGTKIAAGVVDEEGRILSTFKVATPP--TAEGIVDAICAAVAGAS---EGHDVEAVGIGAAGYVDDKR-ATVLFAPNIDWRHEPLKDKVEQRV-GLPVVVENDANAAAWGEYRFGAGQGHDDVICITLGTGLGGGIIIGNKLRRGRFGVAAEFGHIRVVPDGLLCGCGSQGCWEQYASGRALVRYAKQRANATPENAAVLLGLGDGSVDGIEGKHISEAARQGDPVAVDSFRELARWAGAGLADLASLFDPSAFIVGGGVSDEGELVLDPIRKSFRRWLIGGEWRPHAQVLAAQLGGKAGLVGAADLARQG--------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VGL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -209276 for 2847 contacts (-73.5/contact) +
2D Compatibility (PS) -32937 + (NN) -15298 + (LL) 6964
1D Compatibility (HY) -11200 + (ID) 3450
Total energy: -265197.0 ( -93.15 by residue)
QMean score : 0.496
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