Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --------MRVIKVKTISETLDYISKHTASVARFGDGEIDIIAGNSIPYQVYDSELAKRLERLLNRQSNEKLVICVSDVFDNLGRYNDFSQQFWRDHLYQYNDLYQKNCQAEWYGSTFISRPYMDLLDKSLSVTYFEQLKALWKNKDILIVEGETSRSGVGNDLFNDANTISRIICPSKDAFSSFYEIKETILEHSRGKLILLMLGPTAKLLAEDLSQLGHQAIDLGHIDSEYEWFKMGAVSKVKLSHKHTAEHNFDEDITLIEDNSYENQIVSKIGTSDRQYALTVTLTDDIWELEHLLQRCPNTNFHIAAPVYCSDRLKQLVGYPNYYLHEAITEEQFEVLLLNSDIYLDINHGEEVWNVVDRCITEGKTIYGIRRARKDNQYISFERTMDDFEYLCDTIKQNR |
4PFX Chain:A ((1-277)) | SEFASMKRLSEIKVLPILESLKYIKHNHASVVRFGDGEIDLMTGHSIPYQDYNEKLAKRLQQILQTKSDEKLLVCLPDVFSNMDRYNQNARHFWERHFLKYSEFYLNCCDAPFYGSTFISRPYIDLIDKSPSEAYFESLKELWRGKDLLIVEGATSRSGVGNDLFVAASSIKRLVCPSKNAFQYYDEILRLTEKNAKNRLILVMLGPTAKVLVADLTTKGYQAIDLGHIDSEYEWYEMGATYKVKLTNKHTAEFNYDEGIELEFSQEYQEQIVARIG--------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PFX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136867 for 2309 contacts (-59.3/contact) +
2D Compatibility (PS) -29015 + (NN) -8290 + (LL) 9512
1D Compatibility (HY) -30800 + (ID) 7700
Total energy: -203160.0 ( -87.99 by residue)
QMean score : 0.495
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