Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSDIKILALDLDGTLFTTDKKVSEENKVALKAAREKGIKVVITTGRPLKAIGNLLEDLELVSDEDYSITFNGGLVQQNTGKILAKTAMTRQEVEDIHEELYQVG-LPTDILSEGTVYSIANKGHHSQYHLAN-----PLLEFIEVDDLEQVPKDVVYNKIVSVIDATYLDQQIAKLPDRLKVDYEMFKSRDIILELMPKGVHKAVGLELLTKHLGLDSSQVMAMGDEANDLSMLEWAGLGVAMANGIPEAKAIAKA--TTICNNDESGVAEAIGKYILSEEN |
3PGV Chain:A ((21-284)) | ---YQVVASDLDGTLLSPDHFLTPYAKETLKLLTARGINFVFATGRHYIDVGQIRDNLG-I--RSYMITSNGARVHDSDGQQIFAHNLDRDIAADLFEIVRNDPKIVTNVYREDEWYMNRHR-----F-FKEAVFNYKLYEPGELDP-QGISKVFFTCEDHEHL-----LPLEQAMNARWGDRVNVSFSTLTCLEVMAGGVSKGHALEAVAKMLGYTLSDCIAFGDGMNDAEMLSMAGKGCIMANAHQRLKDLHPELEVIG-SNADDAVPRYLRKLYL---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PGV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -80098 for 2124 contacts (-37.7/contact) +
2D Compatibility (PS) -27176 + (NN) -9400 + (LL) 948
1D Compatibility (HY) -15600 + (ID) 3450
Total energy: -134776.0 ( -63.45 by residue)
QMean score : 0.484
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