Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTILEIKDLHVSVENPAEADHEIPILRGVDLTVKSGETHALMGPNGSGKSTLSYAIAGHPKYHVTSGTITLDGADVLAMSIDERARAGLFLAMQYPVEVPGVSMSNFLRSAATAIRGEPPKLRHWVKEVKAAMAALDIDPAFAERSVNEGFSGGEKKRHEILQLELLKPKIAILDETDSGLDVDALRVVSEGVNRYAESQHGGILLITHYTRILRYIHPEYVHVFVGGRIVESGGSELADELDQNGYVRFSPASGRYPHQPAPTGA
2D2E Chain:A ((2-239))
-SQLEIRDLWASIDGET-------ILKGVNLVVPKGEVHALMGPNGAGKSTLGKILAGDPEYTVERGEILLDGENILELSPDERARKGLFLAFQYPV-VPGVTIANFLRLALQAKLGREVGVAEFWTKVKKALELLDWDESYLSRYLNE----GEKKRNEILQLLVLEPTYAVLDETDSGLDIDALKVVARGVNAMRGPNFGA-LVITHYQRILNYIQPDKVHVMMDGRVVATGGPELALELEAKGY-------------------
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) -141415 for 1855 contacts (-76.2/contact) +
2D Compatibility (PS) -25717 + (NN) -10964 + (LL) 964
1D Compatibility (HY) -26400 + (ID) 6500
Total energy: -210032.0 ( -113.22 by residue)
QMean score : 0.678
(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
: