Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAPGPAQAAAAESNSREVTEDAADWAPALCPSPEARSPEAPAYRLQDCDALVTMGTGTFGRVHLVKEKTAKHFFALKVMSIPDVIRRKQEQHVHNEKSVLKEVSHPFLIRLFWTWHEERFLYMLMEYVPGGELFSYLRNRGHFSSTTGLFYSAEIICAIEYLHSKEIVYRDLKPENILLDRDGHIKLTDFGFAKKLVDRTWTLCGTPEYLAPEVIQSKGHGRAVDWWALGILIFEMLSGFPPFFDDNPFGIYQKILAGKLYFPRHLDFHVKTGRMM
3NX8 Chain:A ((16-265))
------------------VKEFLAKAKEDFLKKWE--SPAQNTAHLDQFERIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRN
General information:
TITO was launched using:
RESULT:
Template:
3NX8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131731 for 1916 contacts (-68.8/contact) +
2D Compatibility (PS) -26295 + (NN) -6128 + (LL) 1260
1D Compatibility (HY) -28000 + (ID) 6350
Total energy: -197244.0 ( -102.95 by residue)
QMean score : 0.387
(partial model without unconserved sides chains):
PDB file :
Tito_3NX8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NX8-query.scw
PDB file :
Tito_Scwrl_3NX8.pdb
: