Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAPGPAQAAAAESNSREVTEDAADWAPALCPSPEARSPEAPAYRLQDCDALVTMGTGTFGRVHLVKEKTAKHFFALKVMSIPDVIRRKQEQHVHNEKSVLKEVSHPFLIRLFWTWHEERFLYMLMEYVPGGELFSYLRNRGHFSSTTGLFYSAEIICAIEYLHSKEIVYRDLKPENILLDRDGHIKLTDFGFAKKLVDRTWTLCGTPEYLAPEVIQSKGHGRAVDWWALGILIFEMLSGFPPFFDDNPFGIYQKILAGKLYFPRHLDFHVKTGRMM
2UW4 Chain:A ((15-267))
-----------------SVKEFLAKAKEDFLKKWE--NPAQNTAHLDQFERIKTLGTGS-GRVMLVKHMETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLTKLEFSFKDNSNLYMVMEYAPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLMIDQQGYIKVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRN
General information:
TITO was launched using:
RESULT:
Template:
2UW4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136431 for 1914 contacts (-71.3/contact) +
2D Compatibility (PS) -26351 + (NN) -4139 + (LL) 1288
1D Compatibility (HY) -26400 + (ID) 6200
Total energy: -198233.0 ( -103.57 by residue)
QMean score : 0.371
(partial model without unconserved sides chains):
PDB file :
Tito_2UW4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2UW4-query.scw
PDB file :
Tito_Scwrl_2UW4.pdb
: