Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEKKYILALDQGTTSSRAMIIDEEGEVIGVAQEEFDQIFPKPGWVEHNANEIWASILAVIAGVLLKTNISSKEIAGIGITNQRETTVIWDKESGNPIYNAIVWQSRQTEDICKQLRKDGYEDTIRSKTGLLIDPYFAGTKARWILDHVDGAQERAEKGELLFGTIDTWLVWKLTGGR---AHITDYSNASRTLLYNIYDLEWDDELLKMLNIPKAMLPEVRPSSEVYADTVPYHFFGEEVPVAGIAGDQQAALFGQGCFEKGMAKNTYGTGCFLLMNTGEKAVRSENGLLTTLAWGID-GKVEYALEGSIFVAGSAIQWLRDGLRMVRQSSDSENYASRIESSDGVYVVPAFVGLGAPYWDSDVRGAVFGLTRGTEKEQFIRATLESLAYQTRDVLYAMEQDSGISLKTLRVDGGASANNFLMQFQSDILGVPVERPENKETTVLGAAFLAGLAVGVWKDKNEIKKHWKLDKRFEVEMKEEQREDLYEGWHKAVKAAQAFK |
2D4W Chain:A ((1-497)) | --ADYVLAIDQGTTSSRAIVFDHSGEIYSTGQLEHDQIFPRAGWVEHNPEQIWNNVREVVGLALTRGNLTHEDIAAVGITNQRETAVVWDKTTGKPVYNAIVWQDTRTQKIVDELGGDEGAEKYKSIVGLPLATYFSGPKIKWILDNVEGAREKAEKGDLLFGNTDTWVLWNMTGGTEGGVHVTDVTNASRTMLMDLDTLSWREDIAADMGIPLSMLPDIRSSSEVYGHGRPR-GLVPGVPIAGILGDQQAATFGQACFEVGQAKNTYGTGNFLLLNTGTEKVMSKNGLLTTVCYKIGDAPAVYALEGSIAVTGSLVQWLRDNLGMFEDAPDVEWLAGKVQDNGGAYFVPAFSGLFAPYWRPDARGALVGLTRYVNRNHIARAALEATAFQSREVVDAMNADSGVDLTELRVDGGMVANELLMQFQADQLGVDVVRPKVAETTALGAAYAAGIAVGFWKGEQDVIDNWAEDKRWSPSMESGERERLYRNWKKAVTKTMEW- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2D4W.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -243506 for 4607 contacts (-52.9/contact) +
2D Compatibility (PS) -52670 + (NN) -22913 + (LL) 420
1D Compatibility (HY) -43600 + (ID) 12750
Total energy: -375019.0 ( -81.40 by residue)
QMean score : 0.551
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