Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAYLDHAATTPMHPAAIE-AMAAVQRTIGNASSLHTSGRSARRRIEEARELIADKLGARPSEVIFTAGGTESDNLAVKGI--YWARRDAEPHRRRIVTTEVEHHAVLDSVNWLVEHEGAHVTWLPTAADGSVSATALREALQSHDDVALVSVMWANNEVGTILPIAEMSVVAMEFGVPMHSDAIQAVGQLPLDFGASGLSAMSVAGHKFGGPPGVGALLLRR-------DVTCVPLMHGGGQERDIRSGTPDVASAVGMATAAQIAVDGLEENSARLRL----LRDRLVEGVLAEIDDVCLNGADDPMRLAGNAHFTFRGCEGDALLMLLDANGIECSTGSACTAGVAQPSHVLIAMGVDAASARGSLRLSLGHTSVEADVDAALEVLPGAVARARRAALAAAGASR |
3VAX Chain:A ((22-375)) | -TYLDAAATTRVDQRVADIVLHWMTAEFGNAGSRHEYGIRAKRGVERAREYLASTVSAEPDELIFTSGATESNNIALLGLAPYGERTG----RRHIITSAIEHKAVLEPLEHLA-GRGFEVDFLTPGPSGRISVEGVMERLRP--DTLLVSLMHVNNETGVIQPVAELAQQLRATPTYLHVDAAQGYGKVPGDL-TTPIDMISISGHKIGAPKGVGALVTRRREEMDDERVPLEPIMFGGGQERKLRPGTLPVPLIMGLAEAAKI----FEAEHAQWQVAAQDLRSRLLAGLAS--TSFQVNGDQDHV-VPHILNLSFEDVDAEAFLVTLK-DLVAVATGSASTSASFTPSHVLRAMGLPEEAASKSLRFS------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VAX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -174438 for 2866 contacts (-60.9/contact) +
2D Compatibility (PS) -37581 + (NN) -20674 + (LL) 3940
1D Compatibility (HY) -23600 + (ID) 6750
Total energy: -259103.0 ( -90.41 by residue)
QMean score : 0.447
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