Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEFDTIAAISTPPGEGAIAIIRLSGPEAIQIADRIFYAKNSLSEAESHTIHYGHIKEDGEVIEEVMVTVMRAPRTFTREDVVEINAHGGIVSVNRVLQLLLRNGANLAEPGEFTKRAFLNGRIDLSQAEAVMDLIRAKTDRAMGVAIRQMDGNLSRLIRNLRQEILDALAQVEVNIDYPEYDDVEEMTQRMLLEKTELVRASVEQLLRTASQGKILREGLATAIIGRPNVGKSSLLNQLIQEEKAIVTDIAGTTRDIIEEYVNVRGVPLRLIDTAGIRETEDIVEKIGVERSRKALADADFILLVLNQNEELTVEDEALFEAA--AGHNYVVVLNKTDLETKLDIDRVRELAGENPIVSTSLVNDEGLEALEEAIKTLFFAGDIDAGDATYVSNVRHIALLHQALEALNGVTTGIQLGMPVDIVQIDMTRAWDLLGEITGDSVQDELLDQLFNQFCLGK |
2DYK Chain:A ((2-160)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HKVVIVGRPNVGKSSLFNRLLKKRS-----------DLKEGVVETDRGRFLLVDTGGLWSGDKWEKKI-QEKVDRALEDAEVVLFAVDGRAELTQADYEVAEYLRRKGKPVILVATKVDDPKHELYLGPLYGLGFGDPIPTSSEHARGLEELLEAIWERL-------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DYK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -61072 for 1151 contacts (-53.1/contact) +
2D Compatibility (PS) -15884 + (NN) -5554 + (LL) 24360
1D Compatibility (HY) -6400 + (ID) 2350
Total energy: -66900.0 ( -58.12 by residue)
QMean score : 0.565
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