Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPDLSTWNLTIPQGRPAITISTSQLQRDYRSDYFQRTADGIRFWVPVNGSHTRNSEFPRSELRETLSSGRPYNWRYARADNWLEATLRIEAVPSTRRMIIGQIHSDGSNSGQAAPLVKLLYQLRLDQGRVQALVRERPDDGGTRAYTLMDGIPLGQPFSYRIGVSRSGLLSVSVNGSALEQQLDPQWAYQGLYFKAGLYLQDNRGPSSEGGRATFSELRVSHQ
1VAV Chain:A ((2-223))
-PDLSTWNLTIPQGRPAITISTSQLQRDYRSDYFQRTADGIRFWVPVNGSHTRNSEFPRSELRETLSSGRPYNWRYARADNWLEATLRIEAVPSTRRMIIGQIHSDGSNSGQAAPLVKLLYQLRLDQGRVQALVRERPDDGGTRAYTLMDGIPLGQPFSYRIGVSRSGLLSVSVNGSALEQQLDPQWAYQGLYFKAGLYLQDNRGPSSEGGRATFSELRVSHQ
General information:
TITO was launched using:
RESULT:
Template:
1VAV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93542 for 1875 contacts (-49.9/contact) +
2D Compatibility (PS) -23919 + (NN) -13857 + (LL) 208
1D Compatibility (HY) -26400 + (ID) 11100
Total energy: -168610.0 ( -89.93 by residue)
QMean score : 0.475
(partial model without unconserved sides chains):
PDB file :
Tito_1VAV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VAV-query.scw
PDB file :
Tito_Scwrl_1VAV.pdb
: