Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEFDTIAAISTPPGEGAIAIIRLSGPEAIQIADRIFYAKNSLSEAESHTIHYGHIKEDGEVIEEVMVTVMRAPRTFTREDVVEINAHGGIVSVNRVLQLLLRNGANLAEPGEFTKRAFLNGRIDLSQAEAVMDLIRAKTDRAMGVAIRQMDGNLSRLIRNLRQEILDALAQVEVNIDYPEYDDVEEMTQRMLLEKTELVRASVEQLLRTASQGKILREGLATAIIGRPNVGKSSLLNQLIQEEKAIVTDIAGTTRDIIEEYVNVRGVPLRLIDTAGIRETEDI---VEKIGVERSRKALADADFILLVLNQNEELTVEDE--ALFEAAAGHNYVVVLNKTDLETKLDIDRVRELAGENPIVSTSLVNDEGLEALEEAIKTLFFAGDIDAGDATYVSNVRHIALLHQALEALNGVTTGIQLGMPVDIVQIDMTRAWDLLGEITGDSVQDELLDQLFNQFCLGK |
2HJG Chain:A ((158-297)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AVAEHFKNIPETKYNEEVIQFCLIGRPNVGKSSLVNAMLGEERVIVS---------VDTSFTYNQQEFVIVDTAGMRKKGKVYETTEKYSVLRALKAIDRSEVVAVVLDGEEGIIEQDKRIAGYAHEAGKAVVIVVNKWD------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HJG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -38716 for 818 contacts (-47.3/contact) +
2D Compatibility (PS) -13063 + (NN) -543 + (LL) 25904
1D Compatibility (HY) -11200 + (ID) 2100
Total energy: -39718.0 ( -48.56 by residue)
QMean score : 0.465
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