Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLPTAQEVQGLMARYIELVDVGDIEAIVQMYADDATVEDPFGQPPIHGREQIAAFYRQGLGGGKVRACLTGPVRASHNGCGAMPFRVEMVWNGQPCALDVIDVMRFDEHGRIQTMQAYWSEVNLSVREPQ
1E3R Chain:A ((2-127))
-NLPTAQEVQGLMARYIELVDVGDIEAIVQMYADDATVENPFGQPPIHGREQIAAFYRQGLGGGKVRACLTGPVRASHNGCGAMPFRVEMVWNGQPCALDVIDVMRFDEHGRIQTMQAYWSEVNLSV----
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) -81714 for 924 contacts (-88.4/contact) +
2D Compatibility (PS) -14140 + (NN) -6547 + (LL) 392
1D Compatibility (HY) -18400 + (ID) 6250
Total energy: -126659.0 ( -137.08 by residue)
QMean score : 0.494
(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
: