Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQVSQYLYQNAQSIWGDCISHPFVQGIGRGTLERDKFRFYIIQDYLFLLEYAKVFALGVVKACDEAVMREFSNAIQDILNNEMSIHNHYIRELQITQKELQNACPTLANKSYTSYMLAEGFKGSIKEVAVAVLACGWSYLVIAQNLSQIPNALEDAFYGHWIKGYSSKEFQACVTWNINLLDSLALASSKQEIEKLKEIFIATSEYEYQFWDMAYQS
3IBX Chain:A ((1-217))
MQVSQYLYQNAQSIWGDCISHPFVQGIGRGTLERDKFRFYIIQDYLYLLEYAKVFALGVVKACDEAVMREFSNAIQDILNNEMSIHNHYIRELQITQKELQNACPTLANKSYTSYMLAEGFKGSIKEVAAAVLSCGWSYLVIAQNLSQIPNALEHAFYGHWIKGYSSKEFQACVNWNINLLDSLTLASSKQEIEKLKEIFITTSEYEYLFWDMAYQS
General information:
TITO was launched using:
RESULT:
Template:
3IBX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -154409 for 1689 contacts (-91.4/contact) +
2D Compatibility (PS) -22730 + (NN) -4749 + (LL) 0
1D Compatibility (HY) -34800 + (ID) 10450
Total energy: -227138.0 ( -134.48 by residue)
QMean score : 0.535
(partial model without unconserved sides chains):
PDB file :
Tito_3IBX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IBX-query.scw
PDB file :
Tito_Scwrl_3IBX.pdb
: