Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRYVVTGGTGFIGRHVVSRLLDGRPEARLWALVRRQSLSRFERLAGQWGDRVRPLVGDLTELELSERTIAELGDIDHVLHCAAVHDTTWADATRAVIELAARLDATFHHVSSIAVAGDFAGHYTEADFDVGQRLPTPYHRMTFEAERLVRSTPGLRYRIYRPAVVVGDSRTGEMDTIDGPYYLFGVLAKLAVLPSFTPMLLPDIGRTNIVPVDYVADALVALMHADGRDGQTFHLTAPTAIGLRGIYRGIAGAAGLPPLLGTLPGFVAAPVLNARGRAKVLRNMAATQLGIPAEIFDVVGCAPTFTSDTTREALRGTGIHVPEFATYAPGLWRYWAEHLDPDRARRNDPLLGRHVIITGASSGIGRASAIAVAKRGATVFALARNGNALDELVTEIRAHGGQAHAFTCDVTDSASVEHTVKDILGRFDHVDYLVNNAGRSIRRSVVNSTDRLHDYERVMAVNYFGAVRMVLALLPHWRERRFGHVVNVSSAGVQ-ARNPKYSSYLPTKAALDAFADVVASETLSDHITFTNIHMPLVATPMIVPSRR---------------LNPVRAISAERAAAMVIRGLVEKPARIDTPLGTLAEAGNYVAPRLSRRILHQLYLGYPDSAAAQGISRPDADRPPAPRRPRRSARAGVPRPLRRLGRLVPGVHW |
2AG5 Chain:A ((3-228)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RLDGKVIILTAAAQGIGQAAALAFAREGAKVIATDINESKLQELEKY-----PGIQTRVLDVTKKKQIDQFANE----VERLDVLFNVAGFVHHGTVLD--CEEKDWDFSMNLNVRSMYLMIKAFLPKMLAQKSGNIINMSSVASSVKGVVNRCVYSTTKAAVIGLTKSVAADFIQQGIRCNCVCPGTVDTPSLQERIQARGNPEEARNDFLKRQKTGRFATAEEIAMLCVYLASDE--------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2AG5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -127398 for 1742 contacts (-73.1/contact) +
2D Compatibility (PS) -22559 + (NN) -6734 + (LL) 27024
1D Compatibility (HY) -9200 + (ID) 2750
Total energy: -141617.0 ( -81.30 by residue)
QMean score : 0.522
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