Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAPGPAQAAAAESNSREVTEDAADWAPALCPSPEARSPEAPAYRLQDCDALVTMGTGTFGRVHLVKEKTAKHFFALKVMSIPDVIRRKQEQHVHNEKSVLKEVSHPFLIRLFWTWHEERFLYMLMEYVPGGELFSYLRNRGHFSSTTGLFYSAEIICAIEYLHSKEIVYRDLKPENILLDRDGHIKLTDFGFAKKLVDRTWTLCGTPEYLAPEVIQSKGHGRAVDWWALGILIFEMLSGFPPFFDDNPFGIYQKILAGKLYFPRHLDFHVKTGRMM
1RDQ Chain:E ((36-265))
-----------------------------------------NTAQLDQFDRIKTLGTGSFGRVMLVKHKESGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVAGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEALAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRN
General information:
TITO was launched using:
RESULT:
Template:
1RDQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152958 for 1803 contacts (-84.8/contact) +
2D Compatibility (PS) -24235 + (NN) -6839 + (LL) 2156
1D Compatibility (HY) -26800 + (ID) 6000
Total energy: -214676.0 ( -119.07 by residue)
QMean score : 0.395
(partial model without unconserved sides chains):
PDB file :
Tito_1RDQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1RDQ-query.scw
PDB file :
Tito_Scwrl_1RDQ.pdb
: