Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFFLDTASVSEIKRISELGLVDGVTTNPTIIAKEGRPFEEVIKEICSIVDGPVSAEVIGLEADKMVEEARILAKWAPNVVVKIPMTEEGLKAVHTLTAEGIKTNVTLIFTVSQGLMAAKAGATYISPFLGRLDDIGTDGMILIKNLKKVLDNYGLKAEIISASIRHIGHLEEAAEAGAHIATIPGSLFPKLWSHPLTDKGIEGFLKDWEAFSQKEGN
1VPX Chain:A ((13-228))
MKIFLDTANLEEIKKGVEWGIVDGVTTNP-----------QRVKEICDLVKGPVSAEVVSLDYEGMVREARELAQISEYVVIKIPMTPDGIKAVKTLSAEGIKTNVTLVFSPAQAILAAKAGATYVSPFVGRMDDLSNDGMRMLGEIVEIYNNYGFETEIIAASIRHPMHVVEAALMGVDIVTMPFAVLEKLFKHPMTDLGIERFMEDWKKYLENL--
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) -146554 for 1653 contacts (-88.7/contact) +
2D Compatibility (PS) -22164 + (NN) -3696 + (LL) 544
1D Compatibility (HY) -24800 + (ID) 5700
Total energy: -202370.0 ( -122.43 by residue)
QMean score : 0.561
(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
: