Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKGIILAGGSGTRLYPLTKAISKQMLPIYDKPMIYYPLSILMLAGIKDILIISTPEDTPRFEQLLADSDQLGINISYAVQEKPEGLAQAFIIAEDFIGDDSVSLILGDNIYYGQGLSKMLQRASAKKAGATVFGYHVNDPERFGVVEFDESMKAISIEEKPTEPKSNYAVTGLYFYDNRVVEIAKSIKPSERGELEITDVNKRYLELGELDVELMGRGFAWLDTGTHESLLEASTFIETIERRQNLKIACLEEIAYRMGYIDEAAVEKLAEPLKKNAYGQYLMKLINK |
4B42 Chain:D ((14-300)) | -KGIILAGGSGTRLHPATLAISKQLLPVYDKPMIYYPLSTLMLAGIREILIISTPQDTPRFQQLLGDGSNWGLDLQYAVQPSPDGLAQAFLIGESFIGNDLSALVLGDNLYYGHDFHELLGSASQRQTGASVFAYHVLDPERYGVVEFDQGGKAISLEEKPLEPKSNYAVTGLYFYDQQVVDIARDLKPSP--ELEITDVNRAYLERGQLSVEIMGRGYAWLDTGTHDSLLEAGQFIATLENRQGLKVACPEEIAYRQKWIDAAQLEKLAAPLAKNGYGQYLKRLLTE |
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General information:
TITO was launched using:
| RESULT:
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Template: 4B42.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -205926 for 2353 contacts (-87.5/contact) +
2D Compatibility (PS) -30869 + (NN) -16435 + (LL) 136
1D Compatibility (HY) -35200 + (ID) 9800
Total energy: -298094.0 ( -126.69 by residue)
QMean score : 0.669
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