Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MATLKIQDLHVEIEGKEILKGVNLEISTGEIHAIMGPNGTGKSTLSSAIMGHPKYEVTQGTITLDGEDVLEMEVDERARAGLFLAMQYPSEISGVTNAEFIRAAINSRREEGDEIPVMQFIRKLDAKMDILDMDEEMAERYLNEGFSGGEKKRNEILQLLMIEPKLAILDEIDSGLDIDALKVVSKGVNEMRGEGFGCLIITHYQRLLNYITPDFVHVMMQGKVVKEGGPELAKRLEAEGYDWIKQELGIELEEEEAVDQQ
2D2F Chain:A ((2-246))
-SQLEIRDLWASIDGETILKGVNLVVPKGEVHALMGPNGAGKSTLGKILAGDPEYTVERGEILLDGENILELSPDERARKGLFLAFQYPVEVPGVTIANFLRLALQAKL--GREVGVAEFWTKVKKALELLDWDESYLSRYLNEGFSGGEKKRNEILQLLVLEPTYAVLDETDSGLDIDALKVVARGVNAMRGPNFGALVITHYQRILNYIQPDKVHVMMDGRVVATGGPELALELEAKGYEWLKEKV-------------
General information:
TITO was launched using:
RESULT:
Template:
2D2F.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143430 for 1963 contacts (-73.1/contact) +
2D Compatibility (PS) -26420 + (NN) -7253 + (LL) 1644
1D Compatibility (HY) -29600 + (ID) 7500
Total energy: -212559.0 ( -108.28 by residue)
QMean score : 0.602
(partial model without unconserved sides chains):
PDB file :
Tito_2D2F.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2D2F-query.scw
PDB file :
Tito_Scwrl_2D2F.pdb
: