Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKGIILAGGSGTRLYPLTKAISKQMLPIYDKPMIYYPLSILMLAGIKDILIISTPEDTPRFEQLLADSDQLGINISYAVQEKPEGLAQAFIIAEDFIGDDSVSLILGDNIYYGQGLSKMLQRASAKKAGATVFGYHVNDPERFGVVEFDESMKAISIEEKPTEPKSNYAVTGLYFYDNRVVEIAKSIKPSERGELEITDVNKRYLELGELDVELMGRGFAWLDTGTHESLLEASTFIETIERRQNLKIACLEEIAYRMGYIDEAAVEKLAEPLKKNAYGQYLMKLINK |
4B42 Chain:C ((14-300)) | -KGIILAGGSGTRLHPATLAISKQLLPVYDKPMIYYPLSTLMLAGIREILIISTPQDTPRFQQLLGDGSNWGLDLQYAVQPSPDGLAQAFLIGESFIGNDLSALVLGDNLYYGHDFHELLGSASQRQTGASVFAYHVLDPERYGVVEFDQGGKAISLEEKPLEPKSNYAVTGLYFYDQQVVDIARDLKPSPRGELEITDVNRAYLERGQLSVEIMGRGYAWLDTGTHDSLLEAGQFIATLENRQGLKVACPEEIAYRQKWIDAAQLEKLAAPLAKNGYGQYLKRLLTE |
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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) -209262 for 2363 contacts (-88.6/contact) +
2D Compatibility (PS) -31058 + (NN) -16168 + (LL) 208
1D Compatibility (HY) -35200 + (ID) 9900
Total energy: -301380.0 ( -127.54 by residue)
QMean score : 0.648
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