Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMRFLDGHPPGYDLTYNDVFIVPNRSEVASRFDVDLSTADGSGTTIPVVVANMTAVAGRRMAETVARRGGIVILPQDLPIPAVKQTVAFVKSRDLVLDTPVTLAPDDSVSDAMALIHKRAHGVAVVILEGRPIGLVRESSCLGVDRFTRVRDIAVTDYVTAPAGTEPRKIFDLLEHAPVDVAVLTDADGTLAGVLSRTGAIRAGIYTPATDSAGRLRIGAAVGINGDVGAKARALAEAGVDVLVIDTAHGHQVKTLDAIKAVSALDLGLPLAAGNVVSAEGTRDLLKAGANVVKVGVGPGAMCTTRMMTGVGRPQFSAVLECASAARQLGGHIWADGGIRHPRDVALALAAGASNVMIGSWFAGTYESPGDLMRDRDDQPYKESYGMASKRAVVARTGADNPFDRARKALFEEGISTSRMGLDPDRGGVEDLIDHITSGVRSTCTYVGASNLAELHERAVVGVQSGAGFAEGHPLPAGW |
4FEZ Chain:B ((114-366)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DEQGRLRVGAAVGAAPGNEERVKALVEAGVDVLLIDSSHGHSEGVLQRIRETRAAYPHLEIIGGNVATAEGARALIEAGVSAVKVGIGPGSICTTRIVTGVGVPQITAIADAAGVANEYGIPVIADGGIRFSGDISKAIAAGASCVMVGSMFAGTEEAPGEVIL-YQGRSYKAY------------------------------------GRIAYKGHLKEIIHQQMGGLRSCMGLTGSATVEDLRTKAQFVRISGA------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4FEZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -95720 for 1635 contacts (-58.5/contact) +
2D Compatibility (PS) -24020 + (NN) -9627 + (LL) 16180
1D Compatibility (HY) -12800 + (ID) 4850
Total energy: -130837.0 ( -80.02 by residue)
QMean score : 0.392
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