Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MVLQDFDNLLKKYAQLIISKGLNVQKGHTLALTIDVEQVHLARLLTEAAYEKGASEVIVDYTDDFITRQRLLHASDEVLTNVPQYTVDKSLALLNKKASRLVVKSSNPNAFATVDPKRLSETTRATAIALEEQSRAIQANKVSWNVAAAAGREWAALVFPELKTSDQQVDALWDTIFKLNRIYEDDPIAAWDAHEAKLLEKATRLNQEQFDALHYTAPGTDLTLGMPKNHIWEAAGSLNAQGETFIANMPTEEIFSAPDYRRADGYVTSTKPLSYAGVIIENMTFTFKDGKIINVTAEKGQETVQRLIEENDGARSLGEVALVPHKTPISLSGLIFFNTLFDENASNHLAIGSAYAFNVEGGTEMTSQELDEAGLNRSSTHVDFMIGSEQMDIDGIRADGTAVPIFRNGEWAI |
| 2AYI Chain:B ((4-408)) | -----FKRNLEKLAELAIRVGLNLEKGQEVIATAPIEAVDFVRLLAEKAYREGASLFTVIYGDQELARKRLALAPEEGLDKAPAWLYEGMARAFREGAARLAVSGSDPKALEGLPPEKVGRAQKANARAYKPALEAITEFVTNWTIVPFAHPGWARAVFPGL-PEEEAVRRLWEAIFQAT------PIAAWEAHNRALHEKVAYLNARRFHALHFKGPGTDLVVGLAEGHLWQGGATATKGGRLCNPNLPTEEVFTAPHRERVEGVVRASRPLALGGTLVEGIFARFERGFAVEVRAEKGEEVLRRLLDTDEGARRLGEVALVPADNPIAKTGLVFFDTLFDENAASHIAFGQAYQENLEG-----GEAFRKRGGNESLVHVDWMIGSEEMDVDGLYEDGTRTPLMRRGRWVV |
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General information:
TITO was launched using:
| RESULT:
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Template: 2AYI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -120929 for 3236 contacts (-37.4/contact) +
2D Compatibility (PS) -42882 + (NN) -16357 + (LL) 1276
1D Compatibility (HY) -28000 + (ID) 8150
Total energy: -215042.0 ( -66.45 by residue)
QMean score : 0.463
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