Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNYELVFLAAGQGKRMNAQKNKMWLELVGEPIFIHALRPFLADNRCSKVIVVCQEEERKHVKELMSQLNVAEHRIEIVKGGSERQYSVAAGLERCG--TGRVVLVHDGARPFITLDIIDRLLIGVEQSKAAICAVKVKDTVKRVMNGVVQETVDRENLWQVQTPQAFELPILRKAHQLARKEQFLGTDEASLVERIPCPVAIVQGSYYNIKLTTPEDMPLAKAILGELGGIAND
1VPA Chain:A ((17-229))
-----ILLAAGKGERMSENVPKQFLEIEGRMLFEYPLSTFLKSEAIDGVVIVT----RREWFEVVEKRVFHEKVLGIVEGGDTRSQSVRSALEFLEKFSPSYVLVHDSARPFLRKKHVSEVLRRARETGAATLALKNSDALVRVENDRI-EYIPRKGVYRILTPQAFSYEILKKAHENGGE----WADDTEPVQKLGVKIALVEGDPLCFKVTFKEDLELARIIARE-------
General information:
TITO was launched using:
RESULT:
Template:
1VPA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147729 for 1697 contacts (-87.1/contact) +
2D Compatibility (PS) -23220 + (NN) -5841 + (LL) 1608
1D Compatibility (HY) -17200 + (ID) 3600
Total energy: -195982.0 ( -115.49 by residue)
QMean score : 0.455
(partial model without unconserved sides chains):
PDB file :
Tito_1VPA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VPA-query.scw
PDB file :
Tito_Scwrl_1VPA.pdb
: