Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEFDTIAAISTPPGEGAIAIIRLSGPEAIQIADRIFYAKNSLSEAESHTIHYGHIKEDGEVIEEVMVTVMRAPRTFTREDVVEINAHGGIVSVNRVLQLLLRNGANLAEPGEFTKRAFLNGRIDLSQAEAVMDLIRAKTDRAMGVAIRQMDGNLSRLIRNLRQEILDALAQVEVNIDYPEYDDVEEMTQRMLLEKTELVRASVEQLLRTASQGKILREGLATAIIGRPNVGKSSLLNQLIQEEKAIVTDIAGTTRDIIEEYVNVRGVPLRLIDTAGIRETEDIVEKIGVERSRKALADADFILLVLNQNEELTVEDEALFEAAAGHNYVVVLNKTDLETKLDIDRVRELAGENPIVSTSLVNDEGLEALEEAIKTLFFAGDIDAGDATYVSNVRHIALLHQALEALNGVTTGIQLGMPVDIVQIDMTRAWDLLGEITGDSVQDELLDQLFNQFCLGK |
2GJ9 Chain:B ((5-92)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKVVIAGRPNAGKSSLLNALAGREAAIVTDIAGTTRDVLREHIHIDGMPLHIIDTAGLREASDEVERIGIERAWQEIEQADRVLFMVD------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GJ9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -26838 for 632 contacts (-42.5/contact) +
2D Compatibility (PS) -9385 + (NN) -1576 + (LL) 29288
1D Compatibility (HY) -8000 + (ID) 2350
Total energy: -18861.0 ( -29.84 by residue)
QMean score : 0.487
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