Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDVARLLALRSFTELGARQRARALLDAGSFRELLDPFAGVQSPWLERQGIVPQADDGVVVARGLLDGQPAVLAAIEGAFQGGSLGEVSGAKIAGALELAAEDNRNGVPTRALLLLETGGVRLQEANLGLAAIAEIQAAIVDLQRYQPVVAVIAGPVGCFGGMSIAAGLCSY-VLVTREARLGLNGPQVIEQEAGIAEYDSRDRPFIWSLTGGEQRFASGLADAYLADDLDEVRTSVLAYFAKGLPARPRCRRAEDYLRRLGDLDTAEQPDAAGVRRLYQGLGQGDAT |
3IAV Chain:B ((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) -91235 for 1373 contacts (-66.4/contact) +
2D Compatibility (PS) -19361 + (NN) -9869 + (LL) 1860
1D Compatibility (HY) -8000 + (ID) 2950
Total energy: -129555.0 ( -94.36 by residue)
QMean score : 0.454
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