Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MEFDTIAAISTPPGEGAIAIIRLSGPEAIQIADRIFYAKNSLSEAESHTIHYGHIKEDGEVIEEVMVTVMRAPRTFTREDVVEINAHGGIVSVNRVLQLLLRNGANLAEPGEFTKRAFLNGRIDLSQAEAVMDLIRAKTDRAMGVAIRQMDGNLSRLIRNLRQEILDALAQVEVNIDYPEYDDVEEMTQRMLLEKTELVRASVEQLLRTASQGKILREGLATAIIGRPNVGKSSLLNQLIQEEKAIVTDIAGTTRDIIEEYVNVRGVPLRLIDTAGIRETEDI-VEKIGVERSRKALADADFILLVLNQNEELTVE---DEALFEAA----AGHNYVVVLNKTDLETKLDIDRVRE--LAGENPIVSTSLVNDEGLEALEEAIKTLFFAGDIDAGDATYVSNVRHIALLHQALEALNGVTTGIQLGMPVDIVQIDMTRAWDLLGEITGDSVQDELLDQLFNQFCLGK |
| 2E87 Chain:A ((166-337)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EIPTVVIAGHPNVGKSTLLKALTTAKPE-IASYPFTTRGINVGQFEDGYFRYQIIDTPGLLDRPISERNEIEKQAILALRYLGNLIIYIFDPSEHCGFPLEEQIHLFEEVHGEFKDLPFLVVINKIDVADEENIKRLEKFVKEKGLNPIKISALKGTGIDLVKEEIIKTLRPL----------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2E87.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -60954 for 1241 contacts (-49.1/contact) +
2D Compatibility (PS) -17733 + (NN) -7164 + (LL) 23804
1D Compatibility (HY) -9200 + (ID) 1850
Total energy: -73097.0 ( -58.90 by residue)
QMean score : 0.458
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