Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAPGPAQAAAAESNSREVTEDAADWAPALCPSPEARSPEAPAYRLQDCDALVTMGTGTFGRVHLVKEKTAKHFFALKVMSIPDVIRRKQEQHVHNEKSVLKEVSHPFLIRLFWTWHEERFLYMLMEYVPGGELFSYLRNRGHFSSTTGLFYSAEIICAIEYLHSKEIVYRDLKPENILLDRDGHIKLTDFGFAKKLVDRTWTLCGTPEYLAPEVIQSKGHGRAVDWWALGILIFEMLSGFPPFFDDNPFGIYQKILAGKLYFPRHLDFHVKTGRMM
1REK Chain:A ((13-266))
----------------ESVKEFLAKAKEDFLKKWE--TPSQNTAQLDQFDRIKTLGTGSFGRVMLVKHKESGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVAGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRN
General information:
TITO was launched using:
RESULT:
Template:
1REK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -150185 for 1935 contacts (-77.6/contact) +
2D Compatibility (PS) -26586 + (NN) -5041 + (LL) 1056
1D Compatibility (HY) -28400 + (ID) 6350
Total energy: -215506.0 ( -111.37 by residue)
QMean score : 0.346
(partial model without unconserved sides chains):
PDB file :
Tito_1REK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1REK-query.scw
PDB file :
Tito_Scwrl_1REK.pdb
: