Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTWPAPTAPTPVRATVTVPGSKSQTNRALVLAALAAAQGRGASTISGALRSRDTELMLDALQTLG----LRVDGVGSELTVSGRIEPGPGA-RVDCGLAGTVLRFVPPLAA---LGSVPVTFDGDQQARGRPIAPLLDALRELGVAV---DGTGLPFRVRGNGSLAGGTVAIDASASSQFVSGLLLSAASFTDGLTVQHTGSSLPSAPHIAMTAAMLRQAGVDIDDSTPNRWQVRPGPVAAR--RWDIEPDLTNAVAFLSAAVVSGGTVRITGWPRVSVQPADHILAILRQLNAVVIHADSSLEV-RGPTGYDGFDVDLRAVGELTPSVAALAALASPGSVSRLSGIAHLRGHETDRLAALSTEINRLGGTCRETPDGLVIT-ATPLRPGIWRAYADHRMAMAGAIIGLRVAGVEVDDIAATTKTLPEFPRLWAEMVGPGQGWGYPQPRSGQRARRATGQGSGG |
2AAY Chain:A ((12-416)) | ------------VDGTINLPGSKSVSNRA----LLLAALAHGKTVLTNLLDSDDVRHMLNALTALGVSYTLSADRTRCEIIGNGGPLHAEGALELFLGNAGTAMR---PLAAALCLGSNDIVLTGEPRMKERPIGHLVDALRLGGAKITYLEQENYP-PLRLQGGFTGGNVDVDGSVSSQFLTALLMTAPLAPEDTVIRIKGD-LVSKPYIDITLNLMKTFGVEIENQHYQQFVVKGGQSYQSPGTYLVEGDASSASYFLAAAAIKGGTVKVTGIGRNSMQGDIRFADVLEKMGATICWGDDYISCTRGE--LNAIDMDMNHIPDAAMTIAT-AALFAKGTTT-LRNIYNWRVKETDRLFAMATELRKVGAEVEEGHDYIRITPPEKLNFAEIATYNDHRMAMCFSLVALSDTPVTILDPKCTAKTFPDY----------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2AAY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -207827 for 3601 contacts (-57.7/contact) +
2D Compatibility (PS) -42477 + (NN) -22381 + (LL) 1828
1D Compatibility (HY) -26000 + (ID) 6800
Total energy: -303657.0 ( -84.33 by residue)
QMean score : 0.475
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