Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVLQDFDNLLKKYAQLIISKGLNVQKGHTLALTIDVEQVHLARLLTEAAYEKGASEVIVDYTDDFITRQRLLHASDEVLTNVPQYTVDKSLALLNKKASRLVVKSSNPNAFATVDPKRLSETTRATAIALEEQSRAIQANKVSWNVAAAAGREWAALVFPELKTSDQQVDALWDTIFKLNRIYEDDPIAAWDAHEAKLLEKATRLNQEQFDALHYTAPGTDLTLGMPKNHIWEAAGSLNAQG-ETFIANMPTEEIFSAPDYRRADGYVTSTKPLSYAGVIIENMTFTFKDGKIINVTAEKGQETVQRLIEENDGARSLGEVALV--PHKTPISLSGLIFFNTLFDENASNHLAIGSAYAFNVEGGTEMTSQELDEAGLNRSSTHVDFMIGSEQMDIDGIRADGTAVPIFRNGEWAI |
2AYI Chain:A ((3-408)) | ----AFKRNLEKLAELAIRVGLNLEKGQEVIATAPIEAVDFVRLLAEKAYREGASLFTVIYGDQELARKRLALAPEEGLDKAPAWLYEGMARAFREGAARLAVSGSDPKALEGLPPEKVGRAQKANARAYKPALEAITEFVTNWTIVPFAHPGWARAVFPGLPE-EEAVRRLWEAIFQAT------PIAAWEAHNRALHEKVAYLNARRFHALHFKGPGTDLVVGLAEGHLWQGGATAT-KGGRLCNPNLPTEEVFTAPHRERVEGVVRASRPLALGGTLVEGIFARFERGFAVEVRAEKGEEVLRRLLDTDEGARRLGEVALVPADNPIAK--TGLVFFDTLFDENAASHIAFGQAYQENLEG-----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) -122810 for 3228 contacts (-38.0/contact) +
2D Compatibility (PS) -42808 + (NN) -18771 + (LL) 1552
1D Compatibility (HY) -27600 + (ID) 8000
Total energy: -218437.0 ( -67.67 by residue)
QMean score : 0.471
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