Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA
1FE3 Chain:A ((1-130))
-VEAFCATWKLTNSQNFDEYMKALGVGFATRQVGNVTKPTVIISQEGDKVVIRTLSTFKNTEISFQLGEEFDETTADDRNCKSVVSLDGDKLVHIQKWDGKETNFVREIKDGKMVMTLTFGDVVAVRHYEK--
General information:
TITO was launched using:
RESULT:
Template:
1FE3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -36828 for 896 contacts (-41.1/contact) +
2D Compatibility (PS) -14467 + (NN) -3803 + (LL) 456
1D Compatibility (HY) -13600 + (ID) 4350
Total energy: -72592.0 ( -81.02 by residue)
QMean score : 0.443
(partial model without unconserved sides chains):
PDB file :
Tito_1FE3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1FE3-query.scw
PDB file :
Tito_Scwrl_1FE3.pdb
: