Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTDVARLLALRSFTELGARQRARALLDAGSFRELLDPFAGVQSPWLERQGIVPQADDGVVVARGLLDGQPAVLAAIEGAFQGGSLGEVSGAKIAGALELAAEDNRNGVPTRALLLLETGGVRLQEANLGLAAIAEIQAAIVDLQRYQPVVAVIAGPVGCFGGMSIAAGLCSY-VLVTREARLGLNGPQVIEQEAGIAEYDSRDRPFIWSLTGGEQRFASGLADAYLADDLDEVRTSVLAYFAKGLPARPRCRRAEDYLRRLGDLDTAEQPDAAGVRRLYQGLGQGDAT |
| 3IAV Chain:A ((45-216)) | --------------KLTARERIDLLLDEGSFVEL-DEFARHRSTNFGLDANRPYGD-GVVTGYGTVDGRPVAVFSQDFTVFGGALGEVYGQKIVKVMDFAL---KTGCPV--VGINDSGGARIQEGVASLGAYGEIFRRNTHASGVIPQISLVVGP--CAGGAVYSPAITDFTVMVDQTSHMFITGPDVIKTVTGEDVGFEELGGARTHNSTSGVAHHMAGDEKDAVEYVKQLLSYLPSNNLSEPPAFPEEADLAVTDEDAELDTIVPDSANQPYDMHSVIEHVLDDA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IAV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -85177 for 1369 contacts (-62.2/contact) +
2D Compatibility (PS) -19354 + (NN) -9861 + (LL) 1860
1D Compatibility (HY) -8000 + (ID) 2950
Total energy: -123482.0 ( -90.20 by residue)
QMean score : 0.446
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