Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSDKLSQEQIDALLSQMSEGKVVDESTEIGDFGRFHPYDFHKPEKFGAEHLESLKTIASAFTKKSMEFVSQRIRIPIHTEATLADQVSFASGYIETMPNDSYIFCIIDLGNPELGQIIIELDLAYIIYIHECLSGGN----PKRKLSERRLLSVFEELTLKSILEKFCEALKDSFKSVHPISPEIVNIETNPALLRVTSPNDMMALVSVDIKSEFWISTMRIGVPFFSVEEIMNKLENVVEYTFDKRRNFDAEVEQELHQVEKEARIRVGEIKTTWKELNKLEVGDVLLTETHIRDTLKGYVTEKWKFECYMGKSGNQKAVKFMRHTGRTEQER |
3SOH Chain:A ((46-229)) | --------------------------------------------KFSKEQLRTFQMIHENFGRALSTYLSGRLRTFVDVEISI-DQLTYEE-FIRSVMIPSFI--VIFTGDVFEGSAIFEMRLDLFYTMLDIIMGGPGENPPNRPPTE------IETSIMRKEVTNMLTLLAQAWSDFQYFIPSIENVETNPQFVQIVPPNEIVLLVTASVSWGEFTSFINVCWPFSLLEPLLEKLSD------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SOH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -126773 for 1375 contacts (-92.2/contact) +
2D Compatibility (PS) -19818 + (NN) -9483 + (LL) 11092
1D Compatibility (HY) -17200 + (ID) 2250
Total energy: -164432.0 ( -119.59 by residue)
QMean score : 0.653
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