Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MEELFCIGCGARIQTENKDAAGYTPRAALEKGLETGELYCQRCFRLRHYNEITDVHITDDEFLKLLHEVGDSDALVVNVIDIFDFNGSIIPGLSRFVAGNDVLLVGNKKDILPKSVKDGKVTQWLTERAHEEGLRPVDVILTSAQNHHAIKDLIDTIEKYRHGRDVYVVGVTNVGKSTLINAIIREITGSRDVITTSRFPGTTLDKIEIPLDDGSYIFDTPGIIHRHQMAHYLTAKNLKYVSPKKEIKPKTYQLNSEQTLFLAGLARFDFISGQKQGFTAYFDNNLNLHRTKLVGADEFYTKHVGKLLTPPTGKEVSDFPKLVRHEFTIKNKMDIVYSGLGWIRVKSEAENPVVVAAWAPEGVAVVLRKALI |
| 3CNL Chain:A ((18-158)) | --------------------------------------------------------------------LLRLVNTVVEVRDARAPFATSAYGVD--FSRKETIILLNKVDIADEKT----TKKWVEFF-KK-----QGKRVITTHKGEPRKVLLKKLSF-DRLARVLIVGVPNTGKSTIINKLKGK-----RA----------KGIQWFSLENGVKILDTPGILYKNIFSEDLAAKLLLVGSLPVERIEDQRIFERAFEIFARSIGIESSFSEFFEDFARKRGLLKKGGVPDIERALMLFFTEVAQGKAGRVSFERPEDI---------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CNL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -72257 for 941 contacts (-76.8/contact) +
2D Compatibility (PS) -14471 + (NN) -4548 + (LL) 9648
1D Compatibility (HY) -3600 + (ID) 1550
Total energy: -86778.0 ( -92.22 by residue)
QMean score : 0.446
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