Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQVSQYLYQNAQSIWGDCISHPFVQGIGRGTLERDKFRFYIIQDYLFLLEYAKVFALGVVKACDEAVMREFSNAIQDILNNEMSIHNHYIRELQITQKELQNACPTLANKSYTSYMLAEGFKGSIKEVAVAVLACGWSYLVIAQNLSQIPNALEDAFYGHWIKGYSSKEFQACVTWNINLLDSLALASSKQEIEKLKEIFIATSEYEYQFWDMAYQS
1YAK Chain:B ((29-241))
-KFSEECRSAAAEWWEGSFVHPFVQGIGDGTLPIDRFKYYVLQDSYYLTHFAKVQSFGAAYAKDLYTTGRMASHAQGTYEAEMALHREFAELLEISEEERKAFKPSPTAYSYTSHMYRSVLSGNFAEILAALLPCYWLYYEVGEKLLHCDPG--HPIYQKWIGTYGGDWFRQQVEEQINRFDELAENSTEEVRAKMKENFVISSYYEYQFWGMAYRK
General information:
TITO was launched using:
RESULT:
Template:
1YAK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132315 for 1685 contacts (-78.5/contact) +
2D Compatibility (PS) -22219 + (NN) -5013 + (LL) 488
1D Compatibility (HY) -14000 + (ID) 3650
Total energy: -176709.0 ( -104.87 by residue)
QMean score : 0.533
(partial model without unconserved sides chains):
PDB file :
Tito_1YAK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YAK-query.scw
PDB file :
Tito_Scwrl_1YAK.pdb
: