Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MEFDTIAAISTPPGEGAIAIIRLSGPEAIQIADRIFYAKNSLSEAESHTIHYGHIKEDGEVIEEVMVTVMRAPRTFTREDVVEINAHGGIVSVNRVLQLLLRNGANLAEPGEFTKRAFLNGRIDLSQAEAVMDLIRAKTDRAMGVAIRQMDGNLSRLIRNLRQEILDALAQVEVNIDYPEYDDVEEMTQRMLLEKTELVRASVEQLLRTASQGKILREGLATAIIGRPNVGKSSLLNQLIQEEKAIVTDIAGTTRDIIEEYVNVRGVPLRLIDTAGIRETEDIVEKIGVERSRKALADADFILLVLNQNEELTVEDE-ALF---EAA-AGHNYVVVLNKTDLETKLDIDRVRELAGENPIVSTSLVNDEGLEALEEAIKTLFFAGDIDAGDATYVSNVRHIALLHQALEALNGVTTGIQLGMPVDIVQIDMTRAWDLLGEITGDSVQDELLDQLFNQFCLGK |
| 2GJ8 Chain:A ((4-164)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GMKVVIAGRPNAGKSSLLNALAGREAAIVTDIAGTTRDVLREHIHIDGMPLHIIDTAGLREASDEVERIGIERAWQEIEQADRVLFMVDGTTTDAVDPAEIWPEFIARLPAKLPITVVRNKADITGETLGMS---EVNGHALIRLSARTGEGVDVLRNHLKQSM-------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GJ8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -45402 for 1233 contacts (-36.8/contact) +
2D Compatibility (PS) -16798 + (NN) -3143 + (LL) 24204
1D Compatibility (HY) -8800 + (ID) 3000
Total energy: -52939.0 ( -42.94 by residue)
QMean score : 0.476
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