Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMRFLDGHPPGYDLTYNDVFIVPNRSEVASRFDVDLSTA--DGSGTTIPVVVANMTAVAGRRMAETVARRGGIVILPQDLPIPAVKQTVAFVKSRDLVLDTPVTLAPDDSVSDAMALIHKRAHGVAVVILEGRPIGLVRESSCLGVDRFTRVRDIAVTDYVTAPAGTEPRKIFDLLEHAPVDVAVLTDADGTLAGVLSRTGAIRAGIYTP-ATDSAGRLRIGAAVGINGDVGAKARALAEAGVDVLVIDTAHGHQVKTLDAIKAVSALDLGLPLAAGNVVSAEGTRDLLKAGANVVKVGVGPGAMCTTRMMTGVGRPQFSAVLECASAARQLGGHIWADGGIRHPRDVALALAAGASNVMIGSWFAGTYESPGDLMRDRDDQPYKESYGMASKRAVVARTGADNPFDRARKALFEEGISTSRMGLDPDRGGVEDLIDHITSGVRSTCTYVGASNLAELHERAVVGVQSGAGFAEGHPLPAGW |
1EEP Chain:A ((5-390)) | --------ITKEALTFDDVSLIPRKSSVL-PSEVSLKTQLTKNISLNIPFLSSAMDTVTESQMAIAIAKEGGIGIIHKNMSIEAQRKEIEKVK--TYK------------------------------------------------------------------------------------------------------------DFPNACKDLNNKLRVGAAVSIDIDTIERVEELVKAHVDILVIDSAHGHSTRIIELIKKIKTKYPNLDLIAGNIVTKEAALDLISVGADCLKVGIGPGSICTTRIVAGVGVPQITAICDVYEACNNTNICIIADGGIRFSGDVVKAIAAGADSVMIGNLFAGTKESPSEEII-YNGKKFKS--------------------------------------MVPYSGKLKDILTQLKGGLMSGMGYLGAATISDLKINSKFVKISHS------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1EEP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -196845 for 2686 contacts (-73.3/contact) +
2D Compatibility (PS) -33739 + (NN) -15339 + (LL) 10024
1D Compatibility (HY) -24400 + (ID) 5600
Total energy: -265899.0 ( -98.99 by residue)
QMean score : 0.493
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