Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKMKRLTWDETKITAFQEALVSWYEANKRVLPWRENTEPYRIWVSEIMLQQTKVDTVIPYFNRFMTQFPTMESFVNADEADILKAWEGLGYYSRVRNLQTAMKQVMADFSGEVPTDLTTILSLKGVGPYTAGAILSIAYNQAEPAVDGNVMRVIARVLEIGEDIMKASTRKIFEEVLYQLIDKKNPAAFNQGLMEIGALVCTPTKPMCMLCPLQPFCEAHKNGVETNYPVKIKKVKMKTKELLSIIVISEDGKIAIEKRPENGLLANMWQFPTIEISKKENDEVAKLQFLHNYGLEVLLEDEPIAHIKHVFSHLVWKMDIRVAKLQSAIPNENWY-FATEEEMKRLAFPVPYQKMWQAWKDFKGE |
1VRL Chain:A ((16-361)) | ----------------FQRDLLDWFARERRDLPWRKDRDPYKVWVSEVMLQQTRVETVIPYFEQFIDRFPTLEALADADEDEVLKAWEGLGYYSRVRNLHAAVKEVKTRYGGKVPDDPDEFSRLKGVGPYTVGAVLSLAYGVPEPAVNGNVMRVLSRLFLVTDDIAKPSTRKRFEQIVREIMAYENPGAFNEALIELGALVCTPRRPSCLLCPVQAYCQAFAEGVAEELPVKMKKTAVKQVPLAVAVLADDEGRVLIRKRDSTGLLANLWEFPSCETD--DGKEKLEQMV----GLQVEL-TEPIVSFEHAFSHLVWQLTVFPGRLVHGGPVEEPYRLAPEDELKAYAFPVSHQRVWREYKEW--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1VRL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -219808 for 2686 contacts (-81.8/contact) +
2D Compatibility (PS) -34970 + (NN) -853 + (LL) 2132
1D Compatibility (HY) -35600 + (ID) 8050
Total energy: -297149.0 ( -110.63 by residue)
QMean score : 0.460
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