Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDELKKLAGVTAAKYVKNGMIVGLGTGSTAYFFVEEIGRRVKEEGLQVVGVTTSNRTTEQARGLGIPLKSADDIDVIDVTVDGADEVDP-DFNGIKGGGGALLMEKIVATPTKEYIWVVDESKLVETLG-AFKLPVEVVRYGSERLFRVFKSKGYCPSFRET--EGDRFITDMGNYIIDLDLKKIEDPKQLANELDHTVGVVEHGLFNSMVNKVIVAGKNGLDILEK
3IXQ Chain:A ((4-226))
-EDLKLKVAKEAVKLVKDGMVIGLGTGSTAALFIRELGNRIREEELTVFGIPTSFEAKMLAMQYEIPLVTLDE-YDVDIAFDGADEVEETTLFLIKGGGGCHTQEKIVDYNANEFVVLVDESKLVKKLGEKFPIPVEVIPSAYRVVIRALSEMGGEAVIRLGDRKRGPVITDNGNMIIDVFMN-IDDAIELEKEINNIPGVVENGIFTK-VDKVLVGTKKGVKTLKK
General information:
TITO was launched using:
RESULT:
Template:
3IXQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106157 for 1919 contacts (-55.3/contact) +
2D Compatibility (PS) -24147 + (NN) -8222 + (LL) 684
1D Compatibility (HY) -20000 + (ID) 4650
Total energy: -162492.0 ( -84.68 by residue)
QMean score : 0.608
(partial model without unconserved sides chains):
PDB file :
Tito_3IXQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IXQ-query.scw
PDB file :
Tito_Scwrl_3IXQ.pdb
: