Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAPGPAQAAAAESNSREVTEDAADWAPALCPSPEARSPEAPAYRLQDCDALVTMGTGTFGRVHLVKEKTAKHFFALKVMSIPDVIRRKQEQHVHNEKSVLKEVSHPFLIRLFWTWHEERFLYMLMEYVPGGELFSYLRNRGHFSSTTGLFYSAEIICAIEYLHSKEIVYRDLKPENILLDRDGHIKLTDFGFAKKLVDRTWTLCGTPEYLAPEVIQSKGHGRAVDWWALGILIFEMLSGFPPFFDDNPFGIYQKILAGKLYFPRHLDFHVKTGRMM
1YDR Chain:E ((15-266))
------------------VKEFLAKAKEDFLKKWE--NPAQNTAHLDQFERIKTLGTGSFGRVMLVKHMETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVAGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRN
General information:
TITO was launched using:
RESULT:
Template:
1YDR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149882 for 1915 contacts (-78.3/contact) +
2D Compatibility (PS) -26204 + (NN) -3369 + (LL) 1260
1D Compatibility (HY) -28400 + (ID) 6250
Total energy: -212845.0 ( -111.15 by residue)
QMean score : 0.390
(partial model without unconserved sides chains):
PDB file :
Tito_1YDR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YDR-query.scw
PDB file :
Tito_Scwrl_1YDR.pdb
: