Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKVALYNQNGSTAGDIELNASVFGIEPNESVVFDAILMQRASLRQGTHKVKNRSEVRGGGRKPWRQKGTGRARQGSIRSPQWRGGGVVFGPTPRSYSYKLPKKVRRLAIKSVLSSKVIDNNIIVLEDLTLDTAKTKEMAAILKGLSVEKKALIVTADANEAVALSARNIPGVTVVEANGINVLDVVNHEKLLITKAAVEKVEEVLA
5GAD Chain:E ((12-201))
----------------LTVSETTFGRDFNEALVHQVVVAYAAGARQGTRAQKTRAEVTGSGKKPWRQKGTGRARSGSIKSPIWRSGGVTFAARPQDHSQKVNKKMYRGALKSILSELVRQDRLIVVEKFSVEAPKTKLLAQKLKDMALE-DVLIITGELDENLFLAARNLHKVDVRDATGIDPVSLIAFDKVVMTADAVKQVEEMLA
General information:
TITO was launched using:
RESULT:
Template:
5GAD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91131 for 1296 contacts (-70.3/contact) +
2D Compatibility (PS) -20994 + (NN) -14008 + (LL) 508
1D Compatibility (HY) -13600 + (ID) 4150
Total energy: -143375.0 ( -110.63 by residue)
QMean score : 0.592
(partial model without unconserved sides chains):
PDB file :
Tito_5GAD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-5GAD-query.scw
PDB file :
Tito_Scwrl_5GAD.pdb
: