Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQLYYKYGTMNSGKTIEILKVAHNYEEQGKPVVIMTSALDTRDEFGVVSSRIGMRREAVPISDDMDIFSYIQNLPQKPYCVLIDECQFLSKKNVYDLARVVDDLDVPVMAFGLKNDFQNNLFEGSKHLLLLADKIDEIKTICQYCSK-KATMVLRTENGKPVYEGDQIQIGGNETYIPVCRKHYFNPDI
2QQE Chain:B ((10-177))
--------GPMYSGKTTELLSFVEIYKLGKKKVAVFKPK-----------------VEAHVIERPEEMRKYIE---EDTRGVFIDEVQFFN-PSLFEVVKDLLDRGIDVFCAGLDLTHKQNPFETTALLLSLADTVIKKKAVCHRCGEYNATLTLKVA----------IDVGGQEKYIAVCRDCYNTLK-
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) -86331 for 1050 contacts (-82.2/contact) +
2D Compatibility (PS) -15652 + (NN) -6006 + (LL) 2080
1D Compatibility (HY) -10800 + (ID) 2500
Total energy: -119209.0 ( -113.53 by residue)
QMean score : 0.409
(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
: