Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQLFFRYGSMNSGKTIEILKVAHNYEEQNKTVAIFTSGIDDRDQVGFISSRIGLKREATPIFSDTNIFEIVVNIKPKPNCVLLDESQFLEKEHVFQLAKIVDELNIPVIAYGLKNDFRNELFEGSKYLLLYADKLEEMKTICWFCAK-KATMVLRVDDKGKPVYTGEQIMIGGNDHYYPVCRKCHANPPIK
2QQE Chain:B ((10-177))
--------GPMYSGKTTELLSFVEIYKLGKKKVAVFKPK-----------------VEAHVIERPE---EMRKYIEEDTRGVFIDEVQFFNPS-LFEVVKDLLDRGIDVFCAGLDLTHKQNPFETTALLLSLADTVIKKKAVCHRCGEYNATLTLKVA-----------IDVGGQEKYIAVCRDCY------
General information:
TITO was launched using:
RESULT:
Template:
2QQE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -74920 for 1050 contacts (-71.4/contact) +
2D Compatibility (PS) -15623 + (NN) -5226 + (LL) 2452
1D Compatibility (HY) -10800 + (ID) 2500
Total energy: -106617.0 ( -101.54 by residue)
QMean score : 0.394
(partial model without unconserved sides chains):
PDB file :
Tito_2QQE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2QQE-query.scw
PDB file :
Tito_Scwrl_2QQE.pdb
: