Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKVALYNQNGSTAGDIELNASVFGIEPNESVVFDAILMQRASLRQGTHKVKNRSEVRGGGRKPWRQKGTGRARQGSIRSPQWRGGGVVFGPTPRSYSYKLPKKVRRLAIKSVLSSKVIDNNIIVLEDLTLDTAKTKEMAAILKGLSVEKKALIVTADANEAVALSARNIPGVTVVEANGINVLDVVNHEKLLITKAAVEKVEEVLA
4CSU Chain:E ((12-201))
----------------LTVSETTFGRDFNEALVHQVVVAYAAGARQGTRAQKTRAEVTGSGKKPWRQKGTGRARSGSIKSPIWRSGGVTFAARPQDHSQKVNKKMYRGALKSILSELVRQDRLIVVEKFSVEAPKTKLLAQKLKDMALE-DVLIITGELDENLFLAARNLHKVDVRDATGIDPVSLIAFDKVVMTADAVKQVEEMLA
General information:
TITO was launched using:
RESULT:
Template:
4CSU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -60436 for 1251 contacts (-48.3/contact) +
2D Compatibility (PS) -20757 + (NN) -12237 + (LL) 508
1D Compatibility (HY) -13600 + (ID) 4150
Total energy: -110672.0 ( -88.47 by residue)
QMean score : 0.514
(partial model without unconserved sides chains):
PDB file :
Tito_4CSU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4CSU-query.scw
PDB file :
Tito_Scwrl_4CSU.pdb
: