Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIPCEEEIQIRDMARQFAQERLKPFAADWDREHRFPAEAIREMADLGFLGMLVPEEWGGAQTGHLAYAMALEEIAAGDGACSTIMSVHNSVGCMPIHKFGSAEQKERFLRPLAQGSMLGAFALTEPQAGSDASFLKTRARRDGDHYVLNGAKQFITSGSHAGMVIVFAVTDPDA---GKRGISAFIVPTDTPGYEVVRIEDKLGQHASDTCQLAFNDLRIPATLRLGEEGEGYRIALANLEGGRIGIAAQAVGMARAAFEAARDYAHERETFGKPIIEHQAVAFRLADMATRIAVARQMVHHAASLREAGLPCLTEASMAKLFASEMAEEVCSAAIQTLGGYGYLKDFPVERIYRDVRVCQIYEGTSDVQRLVIARSL |
3MDE Chain:A ((7-378)) | ---TEQQKEFQATARKFAREEIIPVAAEYDRTGEYPVPLLKRAWELGLMNTHIPESFGGLGLGIIDSCLITEELAYGCTGVQTAIEA-NTLGQVPLIIGGNYQQQKKYLGRMTEEPLMCAYCVTEPGAGSDVAGIKTKAEKKGDEYIINGQKMWITNGGKANWYFLLARSDPDPKAPASKAFTGFIVEADTPGVQIGRKEINMGQRCSDTRGIVFEDVRVPKENVLTGEGAGFKIAMGTFDKTRPPVAAGAVGLAQRALDEATKYALERKTFGKLLAEHQGISFLLADMAMKVELARLSYQRAAWEIDSGRRNTYYASIAKAYAADIANQLATDAVQVFGGNGFNTEYPVEKLMRDAKIYQIYEGTAQIQRIIIAR-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MDE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -213183 for 3335 contacts (-63.9/contact) +
2D Compatibility (PS) -41204 + (NN) -24898 + (LL) 464
1D Compatibility (HY) -22800 + (ID) 6850
Total energy: -308471.0 ( -92.50 by residue)
QMean score : 0.458
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