Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAPGPAQAAAAESNSREVTEDAADWAPALCPSPEARSPEAPAYRLQDCDALVTMGTGTFGRVHLVKEKTAKHFFALKVMSIPDVIRRKQEQHVHNEKSVLKEV-SHPFLIRLFWTWHEERFLYMLMEYVPGGELFSYLRNRGHFSSTTGLFYSAEIICAIEYLHSKEIVYRDLKPENILLDRDGHIKLTDFGFAKKLV-DRTWTLCGTPEYLAPEVIQSKGHGRAVDWWALGILIFEMLSGFPPFFDDNPFGIYQKILAGKLYFPRHLDFHVKTGRMM
3TXO Chain:A ((23-251))
----------------------------------------------DNFEFIRVLGKGSFGKVMLARVKETGDLYAVKVLKKDVILQDDDVECTMTEKRILSLARNHPFLTQLFCCFQTPDRLFFVMEFVNGGDLMFHIQKSRRFDEARARFYAAEIISALMFLHDKGIIYRDLKLDNVLLDHEGHCKLADFGMCKEGIC-------GTPDYIAPEILQEMLYGPAVDWWAMGVLLYEMLCGHAPFEAENEDDLFEAILNDEVVYPTWLHEDATGILKS
General information:
TITO was launched using:
RESULT:
Template:
3TXO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132388 for 1518 contacts (-87.2/contact) +
2D Compatibility (PS) -23164 + (NN) -8585 + (LL) 3044
1D Compatibility (HY) -23200 + (ID) 4150
Total energy: -188443.0 ( -124.14 by residue)
QMean score : 0.359
(partial model without unconserved sides chains):
PDB file :
Tito_3TXO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TXO-query.scw
PDB file :
Tito_Scwrl_3TXO.pdb
: