Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAPGPAQAAAAESNSREVTEDAADWAPALCPSPEARSPEAPAYRLQDCDALVTMGTGTFGRVHLVKEKTAKHFFALKVMSIPDVIRRKQEQHVHNEKSVLKEVSHPFLIRLFWTWHEERFLYMLMEYVPGGELFSYLRNRGHFSSTTGLFYSAEIICAIEYLHSKEIVYRDLKPENILLDRDGHIKLTDFGFAKKLVDRTWTLCGTPEYLAPEVIQSKGHGRAVDWWALGILIFEMLSGFPPFFDDNPFGIYQKILAGKLYFPRHLDFHVKTGRMM
4BKY Chain:A ((9-237))
---------------------------------------------LKYYELHETIGTGGFAKVKLACHILTGEMVAIKIMDKNTL----DLPRIKTEIEALKNLRHQHICQLYHVLETANKIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFDEYHKLKLIDFGLCA-----------SLAYAAPELIQGK--GSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGKYDVPKWLSPSSILLLQQ
General information:
TITO was launched using:
RESULT:
Template:
4BKY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145077 for 1560 contacts (-93.0/contact) +
2D Compatibility (PS) -22358 + (NN) -9256 + (LL) 3468
1D Compatibility (HY) -20800 + (ID) 3650
Total energy: -197673.0 ( -126.71 by residue)
QMean score : 0.381
(partial model without unconserved sides chains):
PDB file :
Tito_4BKY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BKY-query.scw
PDB file :
Tito_Scwrl_4BKY.pdb
: