Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKVWITGAGGMMGSHLAEMLLAAGHDVYATYCRP-TIDPS-----D-LQ-FNGAEVDITDWCSVYDSIATFRPDAVFHLAAQSYPAVSWARPVETLTTNMVGTAIVFEALRRVRPHAKIIVAGSSAEYGFVDPSE---------------VPINERRELRPLHPYGVSKAATDMLAYQYHKSYGMHTVVARIFNCTGPRKVG----DALSDFVRRCTWLEHHPE-QSAIRVGNLKTKRTIVDVRDLNRALMLMLDKG--EAGADYNVGGS--IAYEMGDVLKQVIAACKRDDIVPEVDPALLRPTDEKIIYGDCSKLAAITGWQQEICLTQTIADMFDYWRSKSESALMV |
| 1ORR Chain:A ((2-339)) | AKLLITGGCGFLGSNLASFALSQGIDLIVFDNLSRKGATDNLHWLSSLGNFEFVHGDIRNKNDVTRLITKYMPDSCFHLAGQVAMTTSIDNPCMDFEINVGGTLNLLEAVRQYNSNCNIIYSSTNKVYGD-LEQYKYNETETRYTCVDKPNGYDESTQLDFHSPYGCSKGAADQYMLDYARIFGLNTVVFRHSSMYGGRQFATYDQGWVGWFCQKAVEIK-NGINKPFTISGNGKQVRDVLHAEDMISLYFTALANVSKIRGNAFNIGGTIVNSLSLLELFKLLE-DYCNIDMRFTNLP--VRESDQRVFVADIKKITNAIDWSPKVSAKDGVQKMYDWTSSI------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1ORR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -166482 for 2706 contacts (-61.5/contact) +
2D Compatibility (PS) -32339 + (NN) -9589 + (LL) 1468
1D Compatibility (HY) -16000 + (ID) 3800
Total energy: -226742.0 ( -83.79 by residue)
QMean score : 0.493
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