Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQLFFRYGSMNSGKTIEILKVAHNYEEQNKTVAIFTSGIDDRDQVGFISSRIGLKREATPIFSDTNIFEIVVNIKPKPNCVLLDESQFLEKEHVFQLAKIVDELNIPVIAYGLKNDFRNELFEGSKYLLLYADKLEEMKTICWFCAK-KATMVLRVDDKGKPVYTGEQIMIGGNDHYYPVCRKCHANPPIK
2QQE Chain:A ((10-177))
--------GPMYSGKTTELLSFVEIYKLGKKKVAVFKPK---------------NGVEAHVIERPE---EMRKYIEEDTRGVFIDEVQFFNPS-LFEVVKDLLDRGIDVFCAGLDLTHKQNPFETTALLLSLADTVIKKKAVCHRCGEYNATLTLKVAG-------EEEIDVGGQEKYIAVCRDCY------
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) -70566 for 1106 contacts (-63.8/contact) +
2D Compatibility (PS) -16368 + (NN) -5861 + (LL) 2236
1D Compatibility (HY) -10400 + (ID) 2550
Total energy: -103509.0 ( -93.59 by residue)
QMean score : 0.388
(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
: