Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFFLDTASVSEIKRISELGLVDGVTTNPTIIAKEGRPFEEVIKEICSIVDGPVSAEVIGLEADKMVEEARILAKWAPNVVVKIPMTEEGLKAVHTLTAEGIKTNVTLIFTVSQGLMAAKAGATYISPFLGRLDDIGTDGMILIKNLKKVLDNYGLKAEIISASIRHIGHLEEAAEAGAHIATIPGSLFPKLWSHPLTDKGIEGFLKDWEAFSQKEGN
1VPX Chain:R ((13-224))
MKIFLDTANLEEIKKGVEWGIVDGVTTNPT------AEFKQRVKEICDLVKGPVSAEVVSLDYEGMVREARELAQISEYVVIKIPMTPDGIKAVKTLSAEGIKTNVTLVFSPAQAILAAKAGATYVSPFVGRMDDLSNDGMRMLGEIVEIYNNYGFETEIIAASIRHPMHVVEAALMGVDIVTMPFAVLEKLFKHPMTDLGIERFMEDWKKY------
General information:
TITO was launched using:
RESULT:
Template:
1VPX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146011 for 1681 contacts (-86.9/contact) +
2D Compatibility (PS) -22314 + (NN) -5131 + (LL) 556
1D Compatibility (HY) -25200 + (ID) 5750
Total energy: -203850.0 ( -121.27 by residue)
QMean score : 0.554
(partial model without unconserved sides chains):
PDB file :
Tito_1VPX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VPX-query.scw
PDB file :
Tito_Scwrl_1VPX.pdb
: