Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVSEKEFLDLPLVSVAEIVRCRGPKVSVFPFDGTRRWFHLECNPQYDDYQQAALRQSIRILKMLFEHGIETVISPIFSDDLLDRGDRYIVQALEGMALLANDEEILSFYKEHEVHVLFYGDYKKRLPSTAQGAAVVKSFDDLTISTSSNTEHRLCFGVFGNDAAESVAQFSISWNETHGKPPTRREIIEGYYGEYVDKADMFIGFGRFSTFDFPLLSSGKTSLYFTVAPSYYMTETTLRRILYDHIYLRHFRPKPDYSAMSADQLNVLRNRYRAQPDRVFGVGCVHDGIWFAEG
3WQN Chain:A ((2-297))
MNLVSEKEFLDLPLVSVAEIVRCRGPKVSVFPFDGTRRWFHLEC-----DFQQAALRQSIRILKMLFEHGIETVISPIFSDDLLDRGDRYIVQALEGMALLANDEEILSFYKEHEVHVLFYGDYKKRLPSTAQGAAVVKSFDDLTISTSSNTEHRLCFGVFGNDAAESVAQFSISWNETHGKPPTRREIIEGYYGEYVDKADMFIGFGRFSTFDFPLLSSGKTSLYFTVAPSYYMTETTLRRILYDHIYLRHFRPKPDYSAMSADQLNVLRNRYRAQPDRVFGVGCVHDGIWFAEG
General information:
TITO was launched using:
RESULT:
Template:
3WQN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -175094 for 2084 contacts (-84.0/contact) +
2D Compatibility (PS) -32302 + (NN) -22830 + (LL) -84
1D Compatibility (HY) -44400 + (ID) 14500
Total energy: -289210.0 ( -138.78 by residue)
QMean score : 0.594
(partial model without unconserved sides chains):
PDB file :
Tito_3WQN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WQN-query.scw
PDB file :
Tito_Scwrl_3WQN.pdb
: