Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LDKQAILNNIHQTWQEEANAISRLPEVTSEEALVKTVEKIAECTGKIVVAGCGTSGVAAKKLVHSFNCIERPAVFLTPSDAVHGTLGVLQKEDILILISKGGNTGELLNLIPACKTKGSTLIGVTENPDSVIAKEADIFFPVSVSKEPDPFNMLATASTMAVIASFDAVIVCLMTYMNYTKEQFSVIHPGGAVGNKLLNK
3FXA Chain:A ((3-193))
-DKQAILDNIHQTWQEEANAISRLPEVTSEEALVKTVEKIAECTGKIVVAGCGTSGVAAKKLVHSFNCIERPAVFLTPSDAVHGTLGVLQKEDILILISKGGNTGELLNLIPACKTKGSTLIGVTENPDSVIAKEADIFFPVSVSKEPDPFNMLATASTMAVIASFDAVIVCLMTYMNYTKEQFSVIHPGGA--------
General information:
TITO was launched using:
RESULT:
Template:
3FXA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120252 for 1488 contacts (-80.8/contact) +
2D Compatibility (PS) -20644 + (NN) -13151 + (LL) 516
1D Compatibility (HY) -27200 + (ID) 9500
Total energy: -190231.0 ( -127.84 by residue)
QMean score : 0.632
(partial model without unconserved sides chains):
PDB file :
Tito_3FXA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FXA-query.scw
PDB file :
Tito_Scwrl_3FXA.pdb
: