Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDQPWNANIHYDALLDAMVPLGT----QCVLDVGCGDGLLAARLARRIP-YVTAVDIDAPVLRRAQTRF---ANAPIRWLHADIMTAELPNAGFDAVVSNAALHHIEDTRTALSRLGGLVTPGGTLAVVTFVTPSLRNGLWHLTSWVACGMANRVKGKWEHSAPIKWPPPQTLHELRSHVRALLPGACIRRLLYGRVLVTWRAPV
4INE Chain:A ((226-346))
----------YDENLKIIKRFGDFKPGQTMLDIGVGIGGGARQVADEFGVHVHGIDLSSNMLAIALERLHEEKDSRVKYSITDALVYQFEDNSFDYVFSRDCIQHIPDTEKLFSRIYKALKPGGKVLITMY--------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4INE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102416 for 843 contacts (-121.5/contact) +
2D Compatibility (PS) -12631 + (NN) -8126 + (LL) 5660
1D Compatibility (HY) -8400 + (ID) 1550
Total energy: -127463.0 ( -151.20 by residue)
QMean score : 0.425
(partial model without unconserved sides chains):
PDB file :
Tito_4INE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4INE-query.scw
PDB file :
Tito_Scwrl_4INE.pdb
: