Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLEIKNLHVSIEDKEILKGLNLTLKTGEIAAIMGPNGTGKSTLSAAIMGNPNYEVTAGEILFDGEDILELEVDERARLGLFLAMQYPSEVPGITNAEFIRAAMNAGKADDDKISIRQFITKLDEKMELLGMKEEMAERYLNEGFSGGEKKRNEILQLLMLEPKFALLDEIDSGLDIDALKVVSKGVNEMRGEGFGAMIITHYQRLLNYITPDKVHVMMDGKVVLSGGPELAVRLEKEGYAQIAEELGLEYKEEV
2D2E Chain:A ((2-241))
-SQLEIRDLWASIDGETILKGVNLVVPKGEVHALMGPNGAGKSTLGKILAGDPEYTVERGEILLDGENILELSPDERARKGLFLAFQYPV-VPGVTIANFLRLALQAKLGRE--VGVAEFWTKVKKALELLDWDESYLSRYLNE----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) -138345 for 1865 contacts (-74.2/contact) +
2D Compatibility (PS) -25595 + (NN) -9165 + (LL) 992
1D Compatibility (HY) -28800 + (ID) 7350
Total energy: -208263.0 ( -111.67 by residue)
QMean score : 0.635
(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
: