Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MASTLEIKDLHVSIEDKEILKGVNLTINTDEIHAIMGPNGTGKSTLSSAIMGHPSYEVTKGEVLLDGVNILELEVDERAKAGLFLAMQYPSEITGVTNADFMRSAINAKREEGQEINLMQFIKKLDKNMDFLDIDKDMAQRYLNEGFSGGEKKRNEILQLMMLEPKFAILDEIDSGLDIDALKVVSKGINQMRGENFGALMITHYQRLLNYITPDKVHVMYAGKVVKSGGPELAKRLEEEGYEWVKEEFGSAE
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) -121467 for 1904 contacts (-63.8/contact) +
2D Compatibility (PS) -25887 + (NN) -6557 + (LL) 604
1D Compatibility (HY) -29600 + (ID) 7550
Total energy: -190457.0 ( -100.03 by residue)
QMean score : 0.596
(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
: