Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAPGPAQAAAAESNSREVTEDAADWAPALCPSPEARSPEAPAYRLQDCDALVTMGTGTFGRVHLVKEKTAKHFFALKVMSIPDVIRRKQEQHVHNEKSVLKEVSHPFLIRLFWTWHEERFLYMLMEYVPGGELFSYLRNRGHFSSTTGLFYSAEIICAIEYLHSKEIVYRDLKPENILLDRDGHIKLTDFGFAKKLVDRTWTLCGTPEYLAPEVIQSKGHGRAVDWWALGILIFEMLSGFPPFFDDNPFGIYQKILAGKLYFPRHLDFHVKTGRMM
2GNJ Chain:A ((14-266))
-----------------SVKEFLAKAKEDFLKKWE--NPAQNTAHLDQFERIKTIGTGSFGRVMLVKHMETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIKVADFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRN
General information:
TITO was launched using:
RESULT:
Template:
2GNJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136406 for 1961 contacts (-69.6/contact) +
2D Compatibility (PS) -26433 + (NN) -4753 + (LL) 1156
1D Compatibility (HY) -28400 + (ID) 6300
Total energy: -201136.0 ( -102.57 by residue)
QMean score : 0.400
(partial model without unconserved sides chains):
PDB file :
Tito_2GNJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GNJ-query.scw
PDB file :
Tito_Scwrl_2GNJ.pdb
: