Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKSTPHIKPMNDVEIAETVLLPGDPLRAKFIAETYLDDVEQFNTVRNMFGFTGTYKGKKVSVMGSGMGMPSIGIYSYELIHTFGCKKLIRVGSCGAMQENIDLYDVIIAQGASTDSNYVQQYQLPGHFAPIASYQLLEKAVETARDKGVRHHVGNVLSSDIFYNADTTASERWMRMGILGVEMESAALYMNAIYAGVEALGVFTVSDHLIHET-STTPEERERAFTDMIEIALSLV
3U40 Chain:A ((9-241))
-CPTPHNGA-KYGEIAETVLMAGDPLRVKLLADTYLTDVVQYNSVRGAVGYTGYYKGVKLSVQAHGMGMPSIGIYAYELFNFYGVKRIIRIGSAGAFDESLKLGDIVIGMGACYDSNFERQYDIPGKYSCIADFQLCREAVDAAEKLGYRYKVGNIYSANYFYDDGDHSGA-WKKMGVLAVEMEAAALYMIAARARKQALCMLTISDLCYGSGEKMTAEERRTKFTQMMEVALSLA
General information:
TITO was launched using:
RESULT:
Template:
3U40.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -172157 for 1997 contacts (-86.2/contact) +
2D Compatibility (PS) -24716 + (NN) -6064 + (LL) 516
1D Compatibility (HY) -24400 + (ID) 5800
Total energy: -232621.0 ( -116.49 by residue)
QMean score : 0.495
(partial model without unconserved sides chains):
PDB file :
Tito_3U40.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3U40-query.scw
PDB file :
Tito_Scwrl_3U40.pdb
: