Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRILQRALTFEDVLMVPRKSSVLPKDVSLKSRLTKNIGLNIPFISAAMDTVTEHKTAIAMARLGGIGIVHKNMDIQTQVKEITKVKKSESGVINDPIFIHAHRTLADAKVITDNYKISGVPVVDDKGLLIGILTNRDVRFETDLSKKVGDVMTKMPLVTAHVGISLDEASDLMHKHKIEKLPIVDKDNVLKGLITIKDIQKRIEYPEANKDDFGRLRVGAAIGV--GQLDRAEMLVKAGVDALVLDSAHGHSANILHTLEEIKKSLV-VDVIVGNVVTKEATSDLISAGADAVKVGIGPGSICTTRIVAGVGMPQVSAIDNCVEVASKFDIPVIADGGIRYSGDVAKALALGASSVMIGSLLAGTEESPGDFMIYQGRQYKSYRGMGSIGAMTKGSSDRYFQEGVASEKLVPEGIEGRVPYRGKVSDMIFQLVGGVRSSMGYQGAKNILELYQNAEFVEITSAGLKESHVHGVDITKEAPNYYG |
4QQ3 Chain:A ((95-344)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GGLRVGAAVGAAPGNEERVKALVEAGVDVLLIDSSHGHSEGVLQRIRETRAAYPHLEIIGGNVATAEGARALIEAGVSAVKVGIGPGSICTTRIVTGVGVPQITAIADAAGVANEYGIPVIADGGIRFSGDISKAIAAGASCVMVGSMFAGTEEAP-------GRSYKAYRGMG------------------------------RIAYKGHLKEIIHQQMGGLRSCMGLTGSATVEDLRTKAQFVRISGA--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4QQ3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132084 for 1604 contacts (-82.3/contact) +
2D Compatibility (PS) -22687 + (NN) -7021 + (LL) 18148
1D Compatibility (HY) -18800 + (ID) 5850
Total energy: -168294.0 ( -104.92 by residue)
QMean score : 0.453
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