Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSIDLSLPELPVLYPRITVVGVGGAGGNAVNNMIQSNLQGVNFVVANTDAQALEKSLCDKKIQLGINLTKGLGAGALPDVGKGAAEESIDEIMEHIKDSHMLFITAGMGGGTGTGAAPVIAKATREARAGVKDKASKEKKILTVGVVTKPFGFEGVRRMRIAELGLEELQKYVDTLIVIPNQNLFRVANEKTTFSDAFKLADNVLHIGIRGVTDLMVMPGLINLDFADIETVMSEMGKAMIGTGEAEGEDRAISAAEAAISNPLLDNVSMKGAQGILINITGGGDMTLFEVDAAANRVREEVDENANIIFGATFDQAMEGRVRVSVLATGIDCSVTHDNKQETSSVNQDETSEEKKFEWSYSQTLLPEAKQAEQVSEGVKWSSNIYDIPAYLRRKK |
2VAP Chain:A ((39-344)) | ---------------KITVVGCGGAGNNTITRLKMEGIEGAKTVAINTDAQQLIRTKADKKILIGKKLTRGLGAGGNPKIGEEAAKESAEEIKAAIQDSDMVFITCGLGGGTGTGSAPVVAEISKKIGA------------LTVAVVTLPFVMEGKVRMKNAMEGLERLKQHTDTLVVIPNEKLFEIV-PNMPLKLAFKVADEVLINAVKGLVELITKDGLINVDFADVKAVMNNGGLAMIGIGESDSEKRAKEAVSMALNSPLLD-VDIDGATGALIHVMGPEDLTLEEAREVVATVSSRLDPNATIIWGATIDENLENTVRVLLVITGVQSRIEFTDTGLKRK--------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2VAP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -234237 for 2871 contacts (-81.6/contact) +
2D Compatibility (PS) -33776 + (NN) -14420 + (LL) 4604
1D Compatibility (HY) -22400 + (ID) 7300
Total energy: -307529.0 ( -107.12 by residue)
QMean score : 0.536
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