Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDELKKLAGVTAAKYVKNGMIVGLGTGSTAYFFVEEIGRRVKEEGLQVVGVTTSNRTTEQARGLGIPLKSADDIDVIDVTVDGADEV-DPDFNGIKGGGGALLMEKIVATPTKEYIWVVDESKLVETLG-AFKLPVEVVRYGSERLFRVFKSKGYCPSFRETEGDR----FITDMGNYIIDLDLKKIEDPKQLANELDHTVGVVEHGLFNSMVNKVIVAGKNGLDILEK
3IXQ Chain:A ((4-226))
-EDLKLKVAKEAVKLVKDGMVIGLGTGSTAALFIRELGNRIREEELTVFGIPTSFEAKMLAMQYEIPLVTLDEYDV-DIAFDGADEVEETTLFLIKGGGGCHTQEKIVDYNANEFVVLVDESKLVKKLGEKFPIPVEVIPSAYRVVIRALSEMGGEAVIR--LGDRKRGPVITDNGNMIIDV-FMNIDDAIELEKEINNIPGVVENGIF-TKVDKVLVGTKKGVKTLKK
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) -107548 for 1883 contacts (-57.1/contact) +
2D Compatibility (PS) -23801 + (NN) -7644 + (LL) 412
1D Compatibility (HY) -20400 + (ID) 4900
Total energy: -163881.0 ( -87.03 by residue)
QMean score : 0.586
(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
: