Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLPTAQEVQGLMARYIELVDVGDIEAIVQMYADDATVEDPFGQPPIHGREQIAAFYRQGLGGGKVRACLTGPVRASHNGCGAMPFRVEMVWNGQPCALDVIDVMRFDEHGRIQTMQAYWSEVNLSVREPQ
1E3R Chain:B ((1-127))
MNLPTAQEVQGLMARYIELVDVGDIEAIVQMYADDATVENPFGQPPIHGREQIAAFYRQGLG--KVRACLTGPVRASHNGCGAMPFRVEMVWNGQPCALDVIDVMRFDEHGRIQTMQAYWSEVNLSV----
General information:
TITO was launched using:
RESULT:
Template:
1E3R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77283 for 911 contacts (-84.8/contact) +
2D Compatibility (PS) -13781 + (NN) -6001 + (LL) -160
1D Compatibility (HY) -18800 + (ID) 6200
Total energy: -122225.0 ( -134.17 by residue)
QMean score : 0.488
(partial model without unconserved sides chains):
PDB file :
Tito_1E3R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1E3R-query.scw
PDB file :
Tito_Scwrl_1E3R.pdb
: