Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVSEKEFLDLPLVSVAEIVRCRGPKVSVFPFDGTRRWFHLECNPQYDDYQQAALRQSIRILKMLFEHGIETVISPIFSDDLLDRGDRYIVQALEGMALLANDEEILSFYKEHEVHVLFYGDYKKRLPSTAQGAAVVKSFDDLTISTSSNTEHRLCFGVFGNDAAESVAQFSISWNETHGKPPTRREIIEGYYGEYVDKADMFIGFGRFSTFDFPLLSSGKTSLYFTVAPSYYMTETTLRRILYDHIYLRHFRPKPDYSAMSADQLNVLRNRYRAQPDRVFGVGCVHDGIWFAEG
3WQK Chain:A ((1-296))
MNLVSEKEFLDLPLVSVAEIVRCRGPKVSVFPFDGTRRWFHLECN-----YQQAALRQSIRILKMLFEHGIETVISPIFSDDLLDRGDRYIVQALEGMALLANDEEILSFYKEHEVHVLFYGDYKKRLPSTAQGAAVVKSFDDLTISTSSNTEHRLCFGVFGNDAAESVAQFSISWNETHGKPPTRREIIEGYYGEYVDKADMFIGFGRFSTFDFPLLSSGKTSLYFTVAPSYYMTETTLRRILYDHIYLRHFRPKPDYSAMSADQLNVLRNRYRAQPDRVFGVGCVHDGIWFAEG
General information:
TITO was launched using:
RESULT:
Template:
3WQK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173550 for 2119 contacts (-81.9/contact) +
2D Compatibility (PS) -32513 + (NN) -23884 + (LL) -80
1D Compatibility (HY) -44400 + (ID) 14550
Total energy: -288977.0 ( -136.37 by residue)
QMean score : 0.656
(partial model without unconserved sides chains):
PDB file :
Tito_3WQK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WQK-query.scw
PDB file :
Tito_Scwrl_3WQK.pdb
: