Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MATLKIQDLHVEIEGKEILKGVNLEISTGEIHAIMGPNGTGKSTLSSAIMGHPKYEVTQGTITLDGEDVLEMEVDERARAGLFLAMQYPSEISGVTNAEFIRAAINSRREEGDEIPVMQFIRKLDAKMDILDMDEEMAERYLNEGFSGGEKKRNEILQLLMIEPKLAILDEIDSGLDIDALKVVSKGVNEMRGEGFGCLIITHYQRLLNYITPDFVHVMMQGKVVKEGGPELAKRLEAEGYDWIKQELGIELEEEEAVDQQ
2D2E Chain:A ((2-245))
-SQLEIRDLWASIDGETILKGVNLVVPKGEVHALMGPNGAGKSTLGKILAGDPEYTVERGEILLDGENILELSPDERARKGLFLAFQYPV-VPGVTIANFLRLALQAKL--GREVGVAEFWTKVKKALELLDWDESYLSRYLNE----GEKKRNEILQLLVLEPTYAVLDETDSGLDIDALKVVARGVNAMRGPNFGALVITHYQRILNYIQPDKVHVMMDGRVVATGGPELALELEAKGYEWLKEK--------------
General information:
TITO was launched using:
RESULT:
Template:
2D2E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145414 for 1904 contacts (-76.4/contact) +
2D Compatibility (PS) -26017 + (NN) -7490 + (LL) 1684
1D Compatibility (HY) -28800 + (ID) 7250
Total energy: -213287.0 ( -112.02 by residue)
QMean score : 0.623
(partial model without unconserved sides chains):
PDB file :
Tito_2D2E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2D2E-query.scw
PDB file :
Tito_Scwrl_2D2E.pdb
: