Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQNFSFRQAAVIGAGTMGRGIVMCLANAGLDVQWLDSNPQMLNQALGAVADT--------YAHNVRQGRIGEEEAAARRARITPVQHLAAMREADLVIEAVYENLELKQSIFRELDAALKPSAVLASNTSYLDIDAIAAVTARPRQVLGLHFFSPAHIMRLLEIVRGAQTAPAVLEAALALGERMGKVSVVAGNCHGFIGNRMLEPYATEA-RLMLLEGALPYQVDRALQ-AFGFAMGPFRMYDVVGIDLE------WRARELAG-VGQDQPAVQVDNRLCEMGRFGQKSGAGYYRYAPGSRQAEHDTEVDALVLRVAETLGYPRRDFADEEILERCLLALVNEGAKILDEGIAARSADIDTVYLNGYGFPAAEGGPMAWADRLGAADLLQRLRFLEQRHGARWKPASLVERLAAEGGAFADLQEVR |
3HDH Chain:B ((16-301)) | -------KHVTVIGGGLMGAGIAQVAAATGHTVVLVDQTEDILAKSKKGIEESLRKVAKKKFAENPKAGDEFVEKTLSSIS--TSTDAASVVHSTDLVVEAIVENLKVKSELFKRLDKFAAEHTIFASNTSSLQITSLANATTRQDRFAGLHFFNPVPLMKLVEVVKTPMTSQKTLESLVDFSKTLGKHPVSCKDTPGFIVNRLLVPYLIEAVRLYERGDASKEDIDTAMKLGAGYPMGPFELLDYVGLDTTKFIIDGWHEMDSQNPLFQPSPAM---NKLVAENKFGKKTGEGFYKY---------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HDH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -138659 for 2133 contacts (-65.0/contact) +
2D Compatibility (PS) -28938 + (NN) -4915 + (LL) 10432
1D Compatibility (HY) -17600 + (ID) 4650
Total energy: -184330.0 ( -86.42 by residue)
QMean score : 0.427
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